USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 56 GLN : amide:sc= -0.375 X(o=-0.31,f=0.02) USER MOD Set 1.2: A 57 GLN : amide:sc= 0.114 X(o=-0.31,f=-0.16) USER MOD Set 1.3: A 80 TYR OH : rot 107:sc= -0.0438 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0644 (180deg=0) USER MOD Single : A 2 SER OG : rot -160:sc= -0.0614 USER MOD Single : A 4 ASN : amide:sc= -0.772 X(o=-0.77,f=-0.74) USER MOD Single : A 6 GLN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= -0.0188 (180deg=-0.0326) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.587 X(o=-0.59,f=-0.24) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 146:sc= 0.899 (180deg=0.254) USER MOD Single : A 47 ASN : amide:sc= 0.115 K(o=0.12,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= -1.38 (180deg=-3.18!) USER MOD Single : A 61 SER OG : rot 19:sc= 1.19 USER MOD Single : A 64 SER OG : rot 40:sc= 1.2 USER MOD Single : A 65 HIS : no HD1:sc=-0.00583 X(o=-0.0058,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.35) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 2.34 (180deg=2.3) USER MOD Single : A 70 SER OG : rot -147:sc= 1.3 USER MOD Single : A 74 CYS SG : rot -34:sc= 0 USER MOD Single : A 77 MET CE :methyl 166:sc= -1.1 (180deg=-1.79) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 71:sc= 0.864 USER MOD Single : A 82 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.983 -1.043 -8.125 1.00 52.15 N ATOM 2 CA GLY A 1 14.314 -0.223 -7.122 1.00 73.24 C ATOM 3 C GLY A 1 15.312 0.234 -6.093 1.00 1.51 C ATOM 4 O GLY A 1 16.456 0.513 -6.442 1.00 1.41 O ATOM 0 H1 GLY A 1 14.561 -0.863 -9.058 1.00 52.15 H new ATOM 0 H2 GLY A 1 15.995 -0.804 -8.151 1.00 52.15 H new ATOM 0 H3 GLY A 1 14.871 -2.048 -7.882 1.00 52.15 H new ATOM 0 HA2 GLY A 1 13.846 0.639 -7.597 1.00 73.24 H new ATOM 0 HA3 GLY A 1 13.519 -0.794 -6.643 1.00 73.24 H new ATOM 8 N SER A 2 14.889 0.307 -4.836 1.00 63.23 N ATOM 9 CA SER A 2 15.597 1.043 -3.804 1.00 1.22 C ATOM 10 C SER A 2 15.614 0.236 -2.503 1.00 33.12 C ATOM 11 O SER A 2 15.350 -0.973 -2.514 1.00 71.15 O ATOM 12 CB SER A 2 14.944 2.416 -3.700 1.00 73.12 C ATOM 13 OG SER A 2 14.936 3.030 -4.976 1.00 63.31 O ATOM 0 H SER A 2 14.038 -0.148 -4.505 1.00 63.23 H new ATOM 0 HA SER A 2 16.649 1.198 -4.045 1.00 1.22 H new ATOM 0 HB2 SER A 2 13.925 2.319 -3.324 1.00 73.12 H new ATOM 0 HB3 SER A 2 15.488 3.037 -2.989 1.00 73.12 H new ATOM 0 HG SER A 2 14.822 3.998 -4.873 1.00 63.31 H new ATOM 19 N GLU A 3 16.018 0.865 -1.395 1.00 50.23 N ATOM 20 CA GLU A 3 16.149 0.220 -0.088 1.00 25.23 C ATOM 21 C GLU A 3 14.841 -0.422 0.386 1.00 33.11 C ATOM 22 O GLU A 3 14.859 -1.417 1.114 1.00 65.35 O ATOM 23 CB GLU A 3 16.628 1.252 0.950 1.00 14.13 C ATOM 24 CG GLU A 3 15.740 2.506 1.098 1.00 24.20 C ATOM 25 CD GLU A 3 16.112 3.311 2.342 1.00 3.13 C ATOM 26 OE1 GLU A 3 17.204 3.923 2.363 1.00 74.23 O ATOM 27 OE2 GLU A 3 15.363 3.264 3.353 1.00 4.10 O ATOM 0 H GLU A 3 16.267 1.854 -1.383 1.00 50.23 H new ATOM 0 HA GLU A 3 16.881 -0.581 -0.192 1.00 25.23 H new ATOM 0 HB2 GLU A 3 16.697 0.760 1.920 1.00 14.13 H new ATOM 0 HB3 GLU A 3 17.635 1.571 0.682 1.00 14.13 H new ATOM 0 HG2 GLU A 3 15.844 3.133 0.213 1.00 24.20 H new ATOM 0 HG3 GLU A 3 14.693 2.207 1.156 1.00 24.20 H new ATOM 34 N ASN A 4 13.709 0.143 -0.041 1.00 72.05 N ATOM 35 CA ASN A 4 12.403 -0.134 0.544 1.00 43.55 C ATOM 36 C ASN A 4 12.021 -1.572 0.258 1.00 22.40 C ATOM 37 O ASN A 4 11.482 -2.239 1.134 1.00 51.51 O ATOM 38 CB ASN A 4 11.316 0.822 0.040 1.00 11.52 C ATOM 39 CG ASN A 4 11.862 2.215 -0.188 1.00 45.24 C ATOM 40 OD1 ASN A 4 12.009 2.991 0.749 1.00 44.51 O ATOM 41 ND2 ASN A 4 12.237 2.515 -1.425 1.00 1.33 N ATOM 0 H ASN A 4 13.677 0.812 -0.811 1.00 72.05 H new ATOM 0 HA ASN A 4 12.479 0.024 1.620 1.00 43.55 H new ATOM 0 HB2 ASN A 4 10.896 0.438 -0.890 1.00 11.52 H new ATOM 0 HB3 ASN A 4 10.502 0.863 0.764 1.00 11.52 H new ATOM 0 HD21 ASN A 4 12.665 3.419 -1.623 1.00 1.33 H new ATOM 0 HD22 ASN A 4 12.097 1.841 -2.178 1.00 1.33 H new ATOM 48 N PHE A 5 12.363 -2.066 -0.937 1.00 25.33 N ATOM 49 CA PHE A 5 12.119 -3.442 -1.338 1.00 41.11 C ATOM 50 C PHE A 5 12.536 -4.419 -0.238 1.00 63.25 C ATOM 51 O PHE A 5 11.707 -5.164 0.276 1.00 13.24 O ATOM 52 CB PHE A 5 12.814 -3.733 -2.677 1.00 34.00 C ATOM 53 CG PHE A 5 12.566 -5.144 -3.159 1.00 61.22 C ATOM 54 CD1 PHE A 5 11.282 -5.489 -3.615 1.00 23.14 C ATOM 55 CD2 PHE A 5 13.573 -6.125 -3.076 1.00 62.12 C ATOM 56 CE1 PHE A 5 11.004 -6.820 -3.959 1.00 31.20 C ATOM 57 CE2 PHE A 5 13.292 -7.446 -3.478 1.00 42.14 C ATOM 58 CZ PHE A 5 12.005 -7.802 -3.921 1.00 5.50 C ATOM 0 H PHE A 5 12.823 -1.508 -1.657 1.00 25.33 H new ATOM 0 HA PHE A 5 11.048 -3.584 -1.486 1.00 41.11 H new ATOM 0 HB2 PHE A 5 12.459 -3.027 -3.428 1.00 34.00 H new ATOM 0 HB3 PHE A 5 13.887 -3.572 -2.569 1.00 34.00 H new ATOM 0 HD1 PHE A 5 10.514 -4.734 -3.700 1.00 23.14 H new ATOM 0 HD2 PHE A 5 14.554 -5.866 -2.707 1.00 62.12 H new ATOM 0 HE1 PHE A 5 10.003 -7.093 -4.258 1.00 31.20 H new ATOM 0 HE2 PHE A 5 14.072 -8.192 -3.446 1.00 42.14 H new ATOM 0 HZ PHE A 5 11.791 -8.815 -4.227 1.00 5.50 H new ATOM 68 N GLN A 6 13.811 -4.407 0.145 1.00 11.21 N ATOM 69 CA GLN A 6 14.325 -5.360 1.123 1.00 41.45 C ATOM 70 C GLN A 6 13.619 -5.236 2.482 1.00 73.25 C ATOM 71 O GLN A 6 13.268 -6.260 3.067 1.00 14.10 O ATOM 72 CB GLN A 6 15.850 -5.202 1.234 1.00 33.41 C ATOM 73 CG GLN A 6 16.485 -6.061 2.337 1.00 41.51 C ATOM 74 CD GLN A 6 16.388 -7.574 2.131 1.00 33.04 C ATOM 75 OE1 GLN A 6 17.317 -8.190 1.613 1.00 14.31 O ATOM 76 NE2 GLN A 6 15.303 -8.202 2.556 1.00 50.25 N ATOM 0 H GLN A 6 14.506 -3.748 -0.207 1.00 11.21 H new ATOM 0 HA GLN A 6 14.107 -6.370 0.777 1.00 41.45 H new ATOM 0 HB2 GLN A 6 16.303 -5.463 0.278 1.00 33.41 H new ATOM 0 HB3 GLN A 6 16.084 -4.154 1.423 1.00 33.41 H new ATOM 0 HG2 GLN A 6 17.537 -5.790 2.424 1.00 41.51 H new ATOM 0 HG3 GLN A 6 16.012 -5.810 3.286 1.00 41.51 H new ATOM 0 HE21 GLN A 6 14.542 -7.674 2.983 1.00 50.25 H new ATOM 0 HE22 GLN A 6 15.228 -9.214 2.456 1.00 50.25 H new ATOM 85 N THR A 7 13.429 -4.029 3.012 1.00 70.04 N ATOM 86 CA THR A 7 12.784 -3.861 4.313 1.00 5.32 C ATOM 87 C THR A 7 11.291 -4.250 4.240 1.00 44.13 C ATOM 88 O THR A 7 10.735 -4.707 5.239 1.00 34.42 O ATOM 89 CB THR A 7 13.084 -2.445 4.854 1.00 53.15 C ATOM 90 OG1 THR A 7 12.572 -2.216 6.150 1.00 52.54 O ATOM 91 CG2 THR A 7 12.546 -1.362 3.939 1.00 10.10 C ATOM 0 H THR A 7 13.711 -3.157 2.564 1.00 70.04 H new ATOM 0 HA THR A 7 13.199 -4.550 5.049 1.00 5.32 H new ATOM 0 HB THR A 7 14.172 -2.397 4.897 1.00 53.15 H new ATOM 0 HG1 THR A 7 12.796 -1.305 6.434 1.00 52.54 H new ATOM 0 HG21 THR A 7 12.779 -0.383 4.358 1.00 10.10 H new ATOM 0 HG22 THR A 7 13.006 -1.455 2.955 1.00 10.10 H new ATOM 0 HG23 THR A 7 11.465 -1.469 3.845 1.00 10.10 H new ATOM 99 N LEU A 8 10.619 -4.161 3.085 1.00 73.14 N ATOM 100 CA LEU A 8 9.265 -4.696 2.923 1.00 51.52 C ATOM 101 C LEU A 8 9.287 -6.222 2.979 1.00 23.32 C ATOM 102 O LEU A 8 8.333 -6.820 3.481 1.00 25.21 O ATOM 103 CB LEU A 8 8.643 -4.274 1.585 1.00 43.13 C ATOM 104 CG LEU A 8 7.980 -2.883 1.471 1.00 43.22 C ATOM 105 CD1 LEU A 8 8.426 -1.817 2.482 1.00 65.35 C ATOM 106 CD2 LEU A 8 8.197 -2.360 0.044 1.00 71.13 C ATOM 0 H LEU A 8 10.996 -3.720 2.246 1.00 73.14 H new ATOM 0 HA LEU A 8 8.665 -4.292 3.738 1.00 51.52 H new ATOM 0 HB2 LEU A 8 9.425 -4.329 0.827 1.00 43.13 H new ATOM 0 HB3 LEU A 8 7.892 -5.019 1.322 1.00 43.13 H new ATOM 0 HG LEU A 8 6.930 -3.047 1.712 1.00 43.22 H new ATOM 0 HD11 LEU A 8 7.886 -0.889 2.294 1.00 65.35 H new ATOM 0 HD12 LEU A 8 8.212 -2.163 3.493 1.00 65.35 H new ATOM 0 HD13 LEU A 8 9.497 -1.642 2.377 1.00 65.35 H new ATOM 0 HD21 LEU A 8 7.736 -1.378 -0.058 1.00 71.13 H new ATOM 0 HD22 LEU A 8 9.266 -2.282 -0.156 1.00 71.13 H new ATOM 0 HD23 LEU A 8 7.744 -3.049 -0.669 1.00 71.13 H new ATOM 118 N LEU A 9 10.328 -6.886 2.463 1.00 43.53 N ATOM 119 CA LEU A 9 10.472 -8.341 2.576 1.00 23.23 C ATOM 120 C LEU A 9 10.636 -8.777 4.031 1.00 51.44 C ATOM 121 O LEU A 9 10.346 -9.937 4.327 1.00 21.10 O ATOM 122 CB LEU A 9 11.623 -8.890 1.713 1.00 21.32 C ATOM 123 CG LEU A 9 11.288 -9.232 0.250 1.00 34.22 C ATOM 124 CD1 LEU A 9 10.087 -10.161 0.030 1.00 13.41 C ATOM 125 CD2 LEU A 9 11.115 -7.996 -0.619 1.00 4.13 C ATOM 0 H LEU A 9 11.090 -6.433 1.958 1.00 43.53 H new ATOM 0 HA LEU A 9 9.547 -8.769 2.191 1.00 23.23 H new ATOM 0 HB2 LEU A 9 12.429 -8.157 1.715 1.00 21.32 H new ATOM 0 HB3 LEU A 9 12.009 -9.789 2.193 1.00 21.32 H new ATOM 0 HG LEU A 9 12.172 -9.791 -0.057 1.00 34.22 H new ATOM 0 HD11 LEU A 9 9.948 -10.330 -1.038 1.00 13.41 H new ATOM 0 HD12 LEU A 9 10.268 -11.114 0.528 1.00 13.41 H new ATOM 0 HD13 LEU A 9 9.190 -9.700 0.444 1.00 13.41 H new ATOM 0 HD21 LEU A 9 10.880 -8.299 -1.639 1.00 4.13 H new ATOM 0 HD22 LEU A 9 10.302 -7.385 -0.225 1.00 4.13 H new ATOM 0 HD23 LEU A 9 12.038 -7.417 -0.616 1.00 4.13 H new ATOM 137 N ASP A 10 11.041 -7.869 4.924 1.00 23.40 N ATOM 138 CA ASP A 10 11.139 -8.139 6.364 1.00 61.22 C ATOM 139 C ASP A 10 9.883 -7.702 7.126 1.00 24.04 C ATOM 140 O ASP A 10 9.617 -8.187 8.226 1.00 22.01 O ATOM 141 CB ASP A 10 12.387 -7.477 6.968 1.00 44.23 C ATOM 142 CG ASP A 10 13.031 -8.421 7.990 1.00 21.10 C ATOM 143 OD1 ASP A 10 13.615 -9.448 7.580 1.00 61.01 O ATOM 144 OD2 ASP A 10 12.898 -8.199 9.220 1.00 41.44 O ATOM 0 H ASP A 10 11.312 -6.920 4.668 1.00 23.40 H new ATOM 0 HA ASP A 10 11.228 -9.220 6.473 1.00 61.22 H new ATOM 0 HB2 ASP A 10 13.101 -7.238 6.180 1.00 44.23 H new ATOM 0 HB3 ASP A 10 12.115 -6.537 7.448 1.00 44.23 H new ATOM 149 N ALA A 11 9.047 -6.839 6.533 1.00 65.25 N ATOM 150 CA ALA A 11 7.803 -6.332 7.116 1.00 71.03 C ATOM 151 C ALA A 11 6.684 -7.391 7.127 1.00 70.15 C ATOM 152 O ALA A 11 5.520 -7.071 7.396 1.00 24.20 O ATOM 153 CB ALA A 11 7.346 -5.059 6.384 1.00 31.24 C ATOM 0 H ALA A 11 9.227 -6.463 5.602 1.00 65.25 H new ATOM 0 HA ALA A 11 8.012 -6.085 8.157 1.00 71.03 H new ATOM 0 HB1 ALA A 11 6.420 -4.695 6.830 1.00 31.24 H new ATOM 0 HB2 ALA A 11 8.116 -4.293 6.471 1.00 31.24 H new ATOM 0 HB3 ALA A 11 7.177 -5.285 5.331 1.00 31.24 H new ATOM 159 N GLY A 12 7.013 -8.647 6.809 1.00 12.53 N ATOM 160 CA GLY A 12 6.089 -9.769 6.818 1.00 33.20 C ATOM 161 C GLY A 12 5.228 -9.847 5.557 1.00 31.03 C ATOM 162 O GLY A 12 4.175 -10.484 5.569 1.00 1.23 O ATOM 0 H GLY A 12 7.958 -8.911 6.531 1.00 12.53 H new ATOM 0 HA2 GLY A 12 6.653 -10.696 6.923 1.00 33.20 H new ATOM 0 HA3 GLY A 12 5.440 -9.690 7.690 1.00 33.20 H new ATOM 166 N LEU A 13 5.631 -9.164 4.483 1.00 72.32 N ATOM 167 CA LEU A 13 4.857 -9.031 3.251 1.00 72.32 C ATOM 168 C LEU A 13 5.428 -9.948 2.146 1.00 31.11 C ATOM 169 O LEU A 13 6.627 -10.257 2.171 1.00 25.03 O ATOM 170 CB LEU A 13 4.924 -7.577 2.779 1.00 25.20 C ATOM 171 CG LEU A 13 4.432 -6.449 3.686 1.00 5.52 C ATOM 172 CD1 LEU A 13 4.979 -5.116 3.146 1.00 32.03 C ATOM 173 CD2 LEU A 13 2.909 -6.430 3.667 1.00 3.31 C ATOM 0 H LEU A 13 6.527 -8.677 4.447 1.00 72.32 H new ATOM 0 HA LEU A 13 3.825 -9.322 3.448 1.00 72.32 H new ATOM 0 HB2 LEU A 13 5.965 -7.364 2.535 1.00 25.20 H new ATOM 0 HB3 LEU A 13 4.359 -7.513 1.849 1.00 25.20 H new ATOM 0 HG LEU A 13 4.777 -6.600 4.709 1.00 5.52 H new ATOM 0 HD11 LEU A 13 4.638 -4.299 3.781 1.00 32.03 H new ATOM 0 HD12 LEU A 13 6.069 -5.144 3.144 1.00 32.03 H new ATOM 0 HD13 LEU A 13 4.619 -4.960 2.129 1.00 32.03 H new ATOM 0 HD21 LEU A 13 2.547 -5.629 4.311 1.00 3.31 H new ATOM 0 HD22 LEU A 13 2.560 -6.262 2.648 1.00 3.31 H new ATOM 0 HD23 LEU A 13 2.529 -7.386 4.028 1.00 3.31 H new ATOM 185 N PRO A 14 4.637 -10.349 1.131 1.00 74.23 N ATOM 186 CA PRO A 14 5.103 -11.156 -0.007 1.00 45.52 C ATOM 187 C PRO A 14 5.969 -10.361 -0.993 1.00 52.45 C ATOM 188 O PRO A 14 5.825 -9.137 -1.094 1.00 13.12 O ATOM 189 CB PRO A 14 3.830 -11.613 -0.724 1.00 42.54 C ATOM 190 CG PRO A 14 2.813 -10.540 -0.374 1.00 31.43 C ATOM 191 CD PRO A 14 3.200 -10.138 1.038 1.00 30.30 C ATOM 0 HA PRO A 14 5.726 -11.975 0.353 1.00 45.52 H new ATOM 0 HB2 PRO A 14 3.981 -11.685 -1.801 1.00 42.54 H new ATOM 0 HB3 PRO A 14 3.508 -12.596 -0.381 1.00 42.54 H new ATOM 0 HG2 PRO A 14 2.866 -9.696 -1.061 1.00 31.43 H new ATOM 0 HG3 PRO A 14 1.793 -10.923 -0.418 1.00 31.43 H new ATOM 0 HD2 PRO A 14 2.944 -9.096 1.232 1.00 30.30 H new ATOM 0 HD3 PRO A 14 2.668 -10.739 1.775 1.00 30.30 H new ATOM 199 N GLN A 15 6.767 -11.061 -1.815 1.00 5.30 N ATOM 200 CA GLN A 15 7.648 -10.450 -2.800 1.00 30.12 C ATOM 201 C GLN A 15 6.814 -9.719 -3.830 1.00 53.11 C ATOM 202 O GLN A 15 7.155 -8.598 -4.201 1.00 33.03 O ATOM 203 CB GLN A 15 8.506 -11.524 -3.491 1.00 21.02 C ATOM 204 CG GLN A 15 9.307 -10.953 -4.677 1.00 74.34 C ATOM 205 CD GLN A 15 10.247 -11.981 -5.281 1.00 62.43 C ATOM 206 OE1 GLN A 15 9.906 -12.679 -6.228 1.00 13.52 O ATOM 207 NE2 GLN A 15 11.445 -12.118 -4.749 1.00 71.24 N ATOM 0 H GLN A 15 6.813 -12.080 -1.807 1.00 5.30 H new ATOM 0 HA GLN A 15 8.312 -9.746 -2.298 1.00 30.12 H new ATOM 0 HB2 GLN A 15 9.194 -11.959 -2.766 1.00 21.02 H new ATOM 0 HB3 GLN A 15 7.862 -12.330 -3.844 1.00 21.02 H new ATOM 0 HG2 GLN A 15 8.617 -10.600 -5.443 1.00 74.34 H new ATOM 0 HG3 GLN A 15 9.882 -10.089 -4.343 1.00 74.34 H new ATOM 0 HE21 GLN A 15 11.723 -11.534 -3.961 1.00 71.24 H new ATOM 0 HE22 GLN A 15 12.094 -12.808 -5.126 1.00 71.24 H new ATOM 216 N LYS A 16 5.743 -10.345 -4.332 1.00 31.34 N ATOM 217 CA LYS A 16 5.085 -9.784 -5.497 1.00 52.12 C ATOM 218 C LYS A 16 4.397 -8.458 -5.192 1.00 30.24 C ATOM 219 O LYS A 16 4.175 -7.690 -6.118 1.00 1.40 O ATOM 220 CB LYS A 16 4.122 -10.779 -6.177 1.00 44.11 C ATOM 221 CG LYS A 16 4.459 -10.979 -7.670 1.00 32.01 C ATOM 222 CD LYS A 16 3.315 -10.639 -8.633 1.00 22.32 C ATOM 223 CE LYS A 16 3.194 -9.121 -8.801 1.00 31.01 C ATOM 224 NZ LYS A 16 2.133 -8.745 -9.756 1.00 30.12 N ATOM 0 H LYS A 16 5.334 -11.203 -3.963 1.00 31.34 H new ATOM 0 HA LYS A 16 5.879 -9.577 -6.215 1.00 52.12 H new ATOM 0 HB2 LYS A 16 4.169 -11.739 -5.663 1.00 44.11 H new ATOM 0 HB3 LYS A 16 3.099 -10.416 -6.081 1.00 44.11 H new ATOM 0 HG2 LYS A 16 5.322 -10.362 -7.920 1.00 32.01 H new ATOM 0 HG3 LYS A 16 4.752 -12.017 -7.827 1.00 32.01 H new ATOM 0 HD2 LYS A 16 3.495 -11.106 -9.601 1.00 22.32 H new ATOM 0 HD3 LYS A 16 2.378 -11.045 -8.253 1.00 22.32 H new ATOM 0 HE2 LYS A 16 2.986 -8.666 -7.833 1.00 31.01 H new ATOM 0 HE3 LYS A 16 4.147 -8.719 -9.144 1.00 31.01 H new ATOM 0 HZ1 LYS A 16 2.043 -7.709 -9.785 1.00 30.12 H new ATOM 0 HZ2 LYS A 16 2.377 -9.098 -10.703 1.00 30.12 H new ATOM 0 HZ3 LYS A 16 1.230 -9.162 -9.453 1.00 30.12 H new ATOM 238 N VAL A 17 4.043 -8.202 -3.931 1.00 62.24 N ATOM 239 CA VAL A 17 3.601 -6.894 -3.470 1.00 30.42 C ATOM 240 C VAL A 17 4.831 -5.985 -3.480 1.00 12.14 C ATOM 241 O VAL A 17 4.809 -4.983 -4.183 1.00 52.13 O ATOM 242 CB VAL A 17 2.900 -7.029 -2.099 1.00 21.14 C ATOM 243 CG1 VAL A 17 2.593 -5.695 -1.406 1.00 54.23 C ATOM 244 CG2 VAL A 17 1.566 -7.775 -2.266 1.00 42.22 C ATOM 0 H VAL A 17 4.057 -8.909 -3.196 1.00 62.24 H new ATOM 0 HA VAL A 17 2.849 -6.444 -4.118 1.00 30.42 H new ATOM 0 HB VAL A 17 3.607 -7.572 -1.473 1.00 21.14 H new ATOM 0 HG11 VAL A 17 2.102 -5.885 -0.452 1.00 54.23 H new ATOM 0 HG12 VAL A 17 3.522 -5.152 -1.234 1.00 54.23 H new ATOM 0 HG13 VAL A 17 1.936 -5.099 -2.039 1.00 54.23 H new ATOM 0 HG21 VAL A 17 1.077 -7.867 -1.296 1.00 42.22 H new ATOM 0 HG22 VAL A 17 0.921 -7.219 -2.947 1.00 42.22 H new ATOM 0 HG23 VAL A 17 1.753 -8.768 -2.674 1.00 42.22 H new ATOM 254 N ALA A 18 5.913 -6.336 -2.774 1.00 3.24 N ATOM 255 CA ALA A 18 7.109 -5.495 -2.630 1.00 71.04 C ATOM 256 C ALA A 18 7.666 -5.012 -3.969 1.00 23.10 C ATOM 257 O ALA A 18 8.068 -3.861 -4.088 1.00 30.13 O ATOM 258 CB ALA A 18 8.212 -6.220 -1.860 1.00 61.11 C ATOM 0 H ALA A 18 5.984 -7.225 -2.279 1.00 3.24 H new ATOM 0 HA ALA A 18 6.783 -4.620 -2.067 1.00 71.04 H new ATOM 0 HB1 ALA A 18 9.082 -5.569 -1.772 1.00 61.11 H new ATOM 0 HB2 ALA A 18 7.851 -6.480 -0.865 1.00 61.11 H new ATOM 0 HB3 ALA A 18 8.491 -7.129 -2.393 1.00 61.11 H new ATOM 264 N GLU A 19 7.674 -5.876 -4.981 1.00 32.32 N ATOM 265 CA GLU A 19 8.160 -5.598 -6.331 1.00 71.21 C ATOM 266 C GLU A 19 7.364 -4.521 -7.058 1.00 22.22 C ATOM 267 O GLU A 19 7.770 -4.064 -8.126 1.00 13.13 O ATOM 268 CB GLU A 19 8.045 -6.895 -7.143 1.00 50.31 C ATOM 269 CG GLU A 19 9.315 -7.742 -7.110 1.00 61.33 C ATOM 270 CD GLU A 19 10.045 -7.622 -8.450 1.00 41.55 C ATOM 271 OE1 GLU A 19 9.623 -8.288 -9.430 1.00 41.41 O ATOM 272 OE2 GLU A 19 10.975 -6.792 -8.569 1.00 33.33 O ATOM 0 H GLU A 19 7.327 -6.830 -4.879 1.00 32.32 H new ATOM 0 HA GLU A 19 9.184 -5.236 -6.240 1.00 71.21 H new ATOM 0 HB2 GLU A 19 7.213 -7.484 -6.757 1.00 50.31 H new ATOM 0 HB3 GLU A 19 7.808 -6.648 -8.178 1.00 50.31 H new ATOM 0 HG2 GLU A 19 9.964 -7.411 -6.299 1.00 61.33 H new ATOM 0 HG3 GLU A 19 9.064 -8.784 -6.913 1.00 61.33 H new ATOM 279 N LYS A 20 6.188 -4.201 -6.543 1.00 4.54 N ATOM 280 CA LYS A 20 5.325 -3.109 -6.999 1.00 73.23 C ATOM 281 C LYS A 20 5.214 -1.984 -5.955 1.00 2.21 C ATOM 282 O LYS A 20 4.800 -0.879 -6.301 1.00 22.31 O ATOM 283 CB LYS A 20 3.936 -3.674 -7.339 1.00 12.33 C ATOM 284 CG LYS A 20 3.818 -4.351 -8.715 1.00 43.55 C ATOM 285 CD LYS A 20 4.467 -5.744 -8.913 1.00 5.43 C ATOM 286 CE LYS A 20 5.625 -5.728 -9.923 1.00 54.25 C ATOM 287 NZ LYS A 20 5.904 -7.029 -10.569 1.00 70.22 N ATOM 0 H LYS A 20 5.785 -4.715 -5.760 1.00 4.54 H new ATOM 0 HA LYS A 20 5.772 -2.667 -7.889 1.00 73.23 H new ATOM 0 HB2 LYS A 20 3.659 -4.397 -6.572 1.00 12.33 H new ATOM 0 HB3 LYS A 20 3.210 -2.862 -7.289 1.00 12.33 H new ATOM 0 HG2 LYS A 20 2.757 -4.443 -8.949 1.00 43.55 H new ATOM 0 HG3 LYS A 20 4.250 -3.676 -9.454 1.00 43.55 H new ATOM 0 HD2 LYS A 20 4.834 -6.108 -7.953 1.00 5.43 H new ATOM 0 HD3 LYS A 20 3.707 -6.448 -9.251 1.00 5.43 H new ATOM 0 HE2 LYS A 20 5.402 -4.994 -10.698 1.00 54.25 H new ATOM 0 HE3 LYS A 20 6.528 -5.390 -9.414 1.00 54.25 H new ATOM 0 HZ1 LYS A 20 6.698 -6.924 -11.232 1.00 70.22 H new ATOM 0 HZ2 LYS A 20 6.150 -7.731 -9.843 1.00 70.22 H new ATOM 0 HZ3 LYS A 20 5.060 -7.348 -11.087 1.00 70.22 H new ATOM 301 N LEU A 21 5.538 -2.241 -4.686 1.00 61.14 N ATOM 302 CA LEU A 21 5.369 -1.332 -3.550 1.00 62.34 C ATOM 303 C LEU A 21 6.618 -0.507 -3.305 1.00 70.21 C ATOM 304 O LEU A 21 6.496 0.619 -2.839 1.00 74.33 O ATOM 305 CB LEU A 21 5.081 -2.172 -2.296 1.00 70.15 C ATOM 306 CG LEU A 21 4.668 -1.418 -1.027 1.00 54.42 C ATOM 307 CD1 LEU A 21 3.586 -0.369 -1.263 1.00 30.03 C ATOM 308 CD2 LEU A 21 4.184 -2.436 0.012 1.00 52.41 C ATOM 0 H LEU A 21 5.946 -3.134 -4.409 1.00 61.14 H new ATOM 0 HA LEU A 21 4.548 -0.650 -3.771 1.00 62.34 H new ATOM 0 HB2 LEU A 21 4.291 -2.882 -2.539 1.00 70.15 H new ATOM 0 HB3 LEU A 21 5.973 -2.755 -2.067 1.00 70.15 H new ATOM 0 HG LEU A 21 5.544 -0.875 -0.673 1.00 54.42 H new ATOM 0 HD11 LEU A 21 3.345 0.123 -0.321 1.00 30.03 H new ATOM 0 HD12 LEU A 21 3.946 0.371 -1.977 1.00 30.03 H new ATOM 0 HD13 LEU A 21 2.692 -0.851 -1.660 1.00 30.03 H new ATOM 0 HD21 LEU A 21 3.886 -1.914 0.921 1.00 52.41 H new ATOM 0 HD22 LEU A 21 3.331 -2.985 -0.387 1.00 52.41 H new ATOM 0 HD23 LEU A 21 4.990 -3.133 0.241 1.00 52.41 H new ATOM 320 N ASP A 22 7.798 -1.032 -3.629 1.00 30.13 N ATOM 321 CA ASP A 22 9.070 -0.342 -3.428 1.00 33.24 C ATOM 322 C ASP A 22 9.067 1.002 -4.152 1.00 60.04 C ATOM 323 O ASP A 22 9.356 2.026 -3.540 1.00 73.41 O ATOM 324 CB ASP A 22 10.194 -1.272 -3.875 1.00 25.43 C ATOM 325 CG ASP A 22 11.568 -0.628 -4.040 1.00 22.32 C ATOM 326 OD1 ASP A 22 12.015 0.175 -3.182 1.00 70.11 O ATOM 327 OD2 ASP A 22 12.227 -1.024 -5.028 1.00 12.50 O ATOM 0 H ASP A 22 7.899 -1.959 -4.043 1.00 30.13 H new ATOM 0 HA ASP A 22 9.228 -0.108 -2.375 1.00 33.24 H new ATOM 0 HB2 ASP A 22 10.279 -2.082 -3.150 1.00 25.43 H new ATOM 0 HB3 ASP A 22 9.909 -1.723 -4.826 1.00 25.43 H new ATOM 332 N GLU A 23 8.575 1.042 -5.396 1.00 34.21 N ATOM 333 CA GLU A 23 8.431 2.211 -6.236 1.00 74.25 C ATOM 334 C GLU A 23 7.593 3.329 -5.603 1.00 73.15 C ATOM 335 O GLU A 23 7.855 4.515 -5.820 1.00 61.34 O ATOM 336 CB GLU A 23 7.765 1.680 -7.512 1.00 23.30 C ATOM 337 CG GLU A 23 7.143 2.778 -8.349 1.00 55.22 C ATOM 338 CD GLU A 23 6.601 2.294 -9.685 1.00 32.11 C ATOM 339 OE1 GLU A 23 5.770 1.356 -9.706 1.00 54.13 O ATOM 340 OE2 GLU A 23 6.919 2.919 -10.716 1.00 51.24 O ATOM 0 H GLU A 23 8.248 0.196 -5.863 1.00 34.21 H new ATOM 0 HA GLU A 23 9.399 2.679 -6.414 1.00 74.25 H new ATOM 0 HB2 GLU A 23 8.506 1.149 -8.110 1.00 23.30 H new ATOM 0 HB3 GLU A 23 6.996 0.956 -7.241 1.00 23.30 H new ATOM 0 HG2 GLU A 23 6.333 3.239 -7.784 1.00 55.22 H new ATOM 0 HG3 GLU A 23 7.888 3.553 -8.528 1.00 55.22 H new ATOM 347 N ILE A 24 6.581 2.963 -4.822 1.00 54.24 N ATOM 348 CA ILE A 24 5.709 3.903 -4.124 1.00 62.33 C ATOM 349 C ILE A 24 6.556 4.785 -3.191 1.00 12.43 C ATOM 350 O ILE A 24 6.150 5.881 -2.824 1.00 74.33 O ATOM 351 CB ILE A 24 4.590 3.166 -3.374 1.00 51.33 C ATOM 352 CG1 ILE A 24 3.904 2.097 -4.256 1.00 61.41 C ATOM 353 CG2 ILE A 24 3.508 4.111 -2.824 1.00 24.21 C ATOM 354 CD1 ILE A 24 3.000 2.587 -5.394 1.00 21.24 C ATOM 0 H ILE A 24 6.339 1.987 -4.653 1.00 54.24 H new ATOM 0 HA ILE A 24 5.216 4.550 -4.849 1.00 62.33 H new ATOM 0 HB ILE A 24 5.091 2.684 -2.535 1.00 51.33 H new ATOM 0 HG12 ILE A 24 4.683 1.471 -4.692 1.00 61.41 H new ATOM 0 HG13 ILE A 24 3.308 1.457 -3.605 1.00 61.41 H new ATOM 0 HG21 ILE A 24 2.746 3.529 -2.305 1.00 24.21 H new ATOM 0 HG22 ILE A 24 3.961 4.818 -2.129 1.00 24.21 H new ATOM 0 HG23 ILE A 24 3.049 4.657 -3.648 1.00 24.21 H new ATOM 0 HD11 ILE A 24 2.588 1.730 -5.926 1.00 21.24 H new ATOM 0 HD12 ILE A 24 2.186 3.183 -4.981 1.00 21.24 H new ATOM 0 HD13 ILE A 24 3.582 3.197 -6.084 1.00 21.24 H new ATOM 366 N TYR A 25 7.756 4.339 -2.829 1.00 32.20 N ATOM 367 CA TYR A 25 8.707 5.050 -1.993 1.00 74.12 C ATOM 368 C TYR A 25 9.876 5.643 -2.788 1.00 43.34 C ATOM 369 O TYR A 25 10.807 6.162 -2.172 1.00 31.34 O ATOM 370 CB TYR A 25 9.176 4.099 -0.894 1.00 31.23 C ATOM 371 CG TYR A 25 8.039 3.468 -0.119 1.00 13.41 C ATOM 372 CD1 TYR A 25 7.154 4.296 0.592 1.00 73.23 C ATOM 373 CD2 TYR A 25 7.819 2.079 -0.173 1.00 4.41 C ATOM 374 CE1 TYR A 25 6.086 3.738 1.315 1.00 64.43 C ATOM 375 CE2 TYR A 25 6.764 1.509 0.560 1.00 5.30 C ATOM 376 CZ TYR A 25 5.917 2.338 1.331 1.00 25.03 C ATOM 377 OH TYR A 25 4.952 1.803 2.120 1.00 72.04 O ATOM 0 H TYR A 25 8.104 3.428 -3.127 1.00 32.20 H new ATOM 0 HA TYR A 25 8.213 5.914 -1.547 1.00 74.12 H new ATOM 0 HB2 TYR A 25 9.783 3.311 -1.340 1.00 31.23 H new ATOM 0 HB3 TYR A 25 9.819 4.644 -0.203 1.00 31.23 H new ATOM 0 HD1 TYR A 25 7.295 5.367 0.583 1.00 73.23 H new ATOM 0 HD2 TYR A 25 8.459 1.453 -0.776 1.00 4.41 H new ATOM 0 HE1 TYR A 25 5.401 4.376 1.854 1.00 64.43 H new ATOM 0 HE2 TYR A 25 6.601 0.442 0.534 1.00 5.30 H new ATOM 0 HH TYR A 25 4.955 0.828 2.025 1.00 72.04 H new ATOM 387 N VAL A 26 9.846 5.645 -4.125 1.00 1.23 N ATOM 388 CA VAL A 26 10.942 6.077 -5.005 1.00 54.14 C ATOM 389 C VAL A 26 10.536 7.305 -5.829 1.00 33.41 C ATOM 390 O VAL A 26 11.363 8.185 -6.077 1.00 61.11 O ATOM 391 CB VAL A 26 11.366 4.893 -5.901 1.00 75.21 C ATOM 392 CG1 VAL A 26 12.504 5.227 -6.866 1.00 13.33 C ATOM 393 CG2 VAL A 26 11.838 3.720 -5.043 1.00 60.21 C ATOM 0 H VAL A 26 9.026 5.334 -4.646 1.00 1.23 H new ATOM 0 HA VAL A 26 11.798 6.379 -4.401 1.00 54.14 H new ATOM 0 HB VAL A 26 10.478 4.645 -6.483 1.00 75.21 H new ATOM 0 HG11 VAL A 26 12.746 4.347 -7.461 1.00 13.33 H new ATOM 0 HG12 VAL A 26 12.195 6.038 -7.526 1.00 13.33 H new ATOM 0 HG13 VAL A 26 13.383 5.535 -6.300 1.00 13.33 H new ATOM 0 HG21 VAL A 26 12.134 2.893 -5.688 1.00 60.21 H new ATOM 0 HG22 VAL A 26 12.690 4.031 -4.439 1.00 60.21 H new ATOM 0 HG23 VAL A 26 11.027 3.398 -4.389 1.00 60.21 H new ATOM 403 N ALA A 27 9.255 7.427 -6.193 1.00 31.20 N ATOM 404 CA ALA A 27 8.748 8.506 -7.042 1.00 4.40 C ATOM 405 C ALA A 27 8.447 9.769 -6.216 1.00 74.35 C ATOM 406 O ALA A 27 7.572 10.556 -6.571 1.00 52.55 O ATOM 407 CB ALA A 27 7.520 8.005 -7.809 1.00 0.20 C ATOM 0 H ALA A 27 8.533 6.769 -5.901 1.00 31.20 H new ATOM 0 HA ALA A 27 9.512 8.792 -7.765 1.00 4.40 H new ATOM 0 HB1 ALA A 27 7.137 8.804 -8.444 1.00 0.20 H new ATOM 0 HB2 ALA A 27 7.800 7.153 -8.428 1.00 0.20 H new ATOM 0 HB3 ALA A 27 6.748 7.702 -7.102 1.00 0.20 H new ATOM 413 N GLY A 28 9.102 9.915 -5.064 1.00 13.21 N ATOM 414 CA GLY A 28 9.011 11.053 -4.171 1.00 23.34 C ATOM 415 C GLY A 28 7.702 11.119 -3.381 1.00 34.43 C ATOM 416 O GLY A 28 7.412 12.166 -2.798 1.00 74.03 O ATOM 0 H GLY A 28 9.742 9.201 -4.717 1.00 13.21 H new ATOM 0 HA2 GLY A 28 9.845 11.020 -3.470 1.00 23.34 H new ATOM 0 HA3 GLY A 28 9.119 11.968 -4.753 1.00 23.34 H new ATOM 420 N LEU A 29 6.893 10.051 -3.379 1.00 12.51 N ATOM 421 CA LEU A 29 5.526 10.091 -2.860 1.00 1.41 C ATOM 422 C LEU A 29 5.534 10.144 -1.333 1.00 20.11 C ATOM 423 O LEU A 29 5.017 11.095 -0.750 1.00 33.02 O ATOM 424 CB LEU A 29 4.706 8.880 -3.332 1.00 64.03 C ATOM 425 CG LEU A 29 4.549 8.798 -4.864 1.00 52.33 C ATOM 426 CD1 LEU A 29 4.778 7.348 -5.303 1.00 55.54 C ATOM 427 CD2 LEU A 29 3.171 9.302 -5.303 1.00 35.33 C ATOM 0 H LEU A 29 7.171 9.137 -3.738 1.00 12.51 H new ATOM 0 HA LEU A 29 5.056 10.994 -3.250 1.00 1.41 H new ATOM 0 HB2 LEU A 29 5.183 7.967 -2.975 1.00 64.03 H new ATOM 0 HB3 LEU A 29 3.717 8.922 -2.876 1.00 64.03 H new ATOM 0 HG LEU A 29 5.288 9.441 -5.343 1.00 52.33 H new ATOM 0 HD11 LEU A 29 4.670 7.274 -6.385 1.00 55.54 H new ATOM 0 HD12 LEU A 29 5.782 7.035 -5.016 1.00 55.54 H new ATOM 0 HD13 LEU A 29 4.045 6.702 -4.820 1.00 55.54 H new ATOM 0 HD21 LEU A 29 3.087 9.233 -6.388 1.00 35.33 H new ATOM 0 HD22 LEU A 29 2.396 8.692 -4.840 1.00 35.33 H new ATOM 0 HD23 LEU A 29 3.048 10.340 -4.995 1.00 35.33 H new ATOM 439 N VAL A 30 6.041 9.095 -0.681 1.00 20.31 N ATOM 440 CA VAL A 30 5.926 8.884 0.769 1.00 32.11 C ATOM 441 C VAL A 30 7.261 8.575 1.447 1.00 42.25 C ATOM 442 O VAL A 30 8.204 8.099 0.815 1.00 54.42 O ATOM 443 CB VAL A 30 4.896 7.775 1.088 1.00 40.15 C ATOM 444 CG1 VAL A 30 3.543 8.411 1.336 1.00 42.44 C ATOM 445 CG2 VAL A 30 4.715 6.721 -0.004 1.00 3.33 C ATOM 0 H VAL A 30 6.554 8.351 -1.154 1.00 20.31 H new ATOM 0 HA VAL A 30 5.577 9.831 1.180 1.00 32.11 H new ATOM 0 HB VAL A 30 5.294 7.259 1.962 1.00 40.15 H new ATOM 0 HG11 VAL A 30 2.812 7.635 1.562 1.00 42.44 H new ATOM 0 HG12 VAL A 30 3.613 9.099 2.178 1.00 42.44 H new ATOM 0 HG13 VAL A 30 3.229 8.957 0.447 1.00 42.44 H new ATOM 0 HG21 VAL A 30 3.973 5.989 0.316 1.00 3.33 H new ATOM 0 HG22 VAL A 30 4.378 7.202 -0.922 1.00 3.33 H new ATOM 0 HG23 VAL A 30 5.665 6.219 -0.186 1.00 3.33 H new ATOM 455 N ALA A 31 7.310 8.808 2.762 1.00 42.55 N ATOM 456 CA ALA A 31 8.484 8.758 3.639 1.00 54.15 C ATOM 457 C ALA A 31 8.995 7.357 3.974 1.00 22.03 C ATOM 458 O ALA A 31 9.675 7.201 4.989 1.00 43.34 O ATOM 459 CB ALA A 31 8.082 9.377 4.970 1.00 20.43 C ATOM 0 H ALA A 31 6.467 9.055 3.280 1.00 42.55 H new ATOM 0 HA ALA A 31 9.278 9.275 3.100 1.00 54.15 H new ATOM 0 HB1 ALA A 31 8.932 9.358 5.652 1.00 20.43 H new ATOM 0 HB2 ALA A 31 7.767 10.408 4.811 1.00 20.43 H new ATOM 0 HB3 ALA A 31 7.258 8.809 5.402 1.00 20.43 H new ATOM 465 N HIS A 32 8.529 6.335 3.259 1.00 71.04 N ATOM 466 CA HIS A 32 8.557 4.913 3.599 1.00 62.11 C ATOM 467 C HIS A 32 7.906 4.510 4.938 1.00 64.01 C ATOM 468 O HIS A 32 7.460 3.370 5.057 1.00 70.04 O ATOM 469 CB HIS A 32 9.954 4.320 3.369 1.00 44.24 C ATOM 470 CG HIS A 32 10.979 4.575 4.444 1.00 61.01 C ATOM 471 ND1 HIS A 32 12.052 5.433 4.369 1.00 25.14 N ATOM 472 CD2 HIS A 32 10.972 4.027 5.695 1.00 5.23 C ATOM 473 CE1 HIS A 32 12.651 5.430 5.570 1.00 23.02 C ATOM 474 NE2 HIS A 32 12.043 4.573 6.409 1.00 2.51 N ATOM 0 H HIS A 32 8.086 6.492 2.354 1.00 71.04 H new ATOM 0 HA HIS A 32 7.875 4.440 2.892 1.00 62.11 H new ATOM 0 HB2 HIS A 32 9.851 3.242 3.245 1.00 44.24 H new ATOM 0 HB3 HIS A 32 10.341 4.713 2.429 1.00 44.24 H new ATOM 0 HD2 HIS A 32 10.265 3.301 6.067 1.00 5.23 H new ATOM 0 HE1 HIS A 32 13.507 6.035 5.828 1.00 23.02 H new ATOM 0 HE2 HIS A 32 12.309 4.364 7.371 1.00 2.51 H new ATOM 482 N SER A 33 7.749 5.415 5.905 1.00 10.11 N ATOM 483 CA SER A 33 7.202 5.153 7.234 1.00 25.43 C ATOM 484 C SER A 33 6.084 6.150 7.588 1.00 21.02 C ATOM 485 O SER A 33 5.808 6.401 8.762 1.00 45.31 O ATOM 486 CB SER A 33 8.367 5.171 8.239 1.00 13.51 C ATOM 487 OG SER A 33 8.276 4.064 9.108 1.00 74.01 O ATOM 0 H SER A 33 8.011 6.392 5.776 1.00 10.11 H new ATOM 0 HA SER A 33 6.728 4.172 7.265 1.00 25.43 H new ATOM 0 HB2 SER A 33 9.317 5.147 7.706 1.00 13.51 H new ATOM 0 HB3 SER A 33 8.347 6.097 8.814 1.00 13.51 H new ATOM 0 HG SER A 33 9.023 4.084 9.742 1.00 74.01 H new ATOM 493 N ASP A 34 5.429 6.745 6.583 1.00 45.41 N ATOM 494 CA ASP A 34 4.401 7.798 6.703 1.00 32.43 C ATOM 495 C ASP A 34 3.065 7.299 7.297 1.00 50.54 C ATOM 496 O ASP A 34 2.006 7.871 7.035 1.00 32.05 O ATOM 497 CB ASP A 34 4.156 8.434 5.317 1.00 51.43 C ATOM 498 CG ASP A 34 3.924 9.950 5.356 1.00 64.23 C ATOM 499 OD1 ASP A 34 3.916 10.563 6.443 1.00 31.32 O ATOM 500 OD2 ASP A 34 3.873 10.576 4.276 1.00 11.50 O ATOM 0 H ASP A 34 5.608 6.495 5.611 1.00 45.41 H new ATOM 0 HA ASP A 34 4.788 8.536 7.405 1.00 32.43 H new ATOM 0 HB2 ASP A 34 5.013 8.225 4.676 1.00 51.43 H new ATOM 0 HB3 ASP A 34 3.290 7.956 4.858 1.00 51.43 H new ATOM 505 N LEU A 35 3.079 6.153 7.982 1.00 72.42 N ATOM 506 CA LEU A 35 1.949 5.242 8.130 1.00 65.04 C ATOM 507 C LEU A 35 1.723 4.895 9.604 1.00 44.24 C ATOM 508 O LEU A 35 2.327 5.508 10.485 1.00 72.41 O ATOM 509 CB LEU A 35 2.190 3.976 7.273 1.00 12.23 C ATOM 510 CG LEU A 35 2.531 4.227 5.792 1.00 71.42 C ATOM 511 CD1 LEU A 35 2.791 2.912 5.056 1.00 70.34 C ATOM 512 CD2 LEU A 35 1.411 4.957 5.048 1.00 24.02 C ATOM 0 H LEU A 35 3.914 5.824 8.467 1.00 72.42 H new ATOM 0 HA LEU A 35 1.042 5.729 7.773 1.00 65.04 H new ATOM 0 HB2 LEU A 35 3.003 3.405 7.722 1.00 12.23 H new ATOM 0 HB3 LEU A 35 1.298 3.352 7.321 1.00 12.23 H new ATOM 0 HG LEU A 35 3.425 4.850 5.799 1.00 71.42 H new ATOM 0 HD11 LEU A 35 3.029 3.120 4.013 1.00 70.34 H new ATOM 0 HD12 LEU A 35 3.628 2.393 5.523 1.00 70.34 H new ATOM 0 HD13 LEU A 35 1.901 2.284 5.107 1.00 70.34 H new ATOM 0 HD21 LEU A 35 1.703 5.108 4.009 1.00 24.02 H new ATOM 0 HD22 LEU A 35 0.500 4.360 5.086 1.00 24.02 H new ATOM 0 HD23 LEU A 35 1.231 5.923 5.519 1.00 24.02 H new ATOM 524 N ASP A 36 0.826 3.939 9.854 1.00 74.00 N ATOM 525 CA ASP A 36 0.491 3.371 11.151 1.00 65.32 C ATOM 526 C ASP A 36 0.157 1.901 10.943 1.00 22.32 C ATOM 527 O ASP A 36 0.058 1.446 9.802 1.00 33.25 O ATOM 528 CB ASP A 36 -0.642 4.102 11.918 1.00 33.25 C ATOM 529 CG ASP A 36 -1.443 5.205 11.215 1.00 34.43 C ATOM 530 OD1 ASP A 36 -0.854 6.153 10.644 1.00 52.24 O ATOM 531 OD2 ASP A 36 -2.693 5.158 11.229 1.00 42.10 O ATOM 0 H ASP A 36 0.281 3.517 9.102 1.00 74.00 H new ATOM 0 HA ASP A 36 1.361 3.497 11.796 1.00 65.32 H new ATOM 0 HB2 ASP A 36 -1.352 3.345 12.251 1.00 33.25 H new ATOM 0 HB3 ASP A 36 -0.200 4.540 12.813 1.00 33.25 H new ATOM 536 N GLU A 37 0.030 1.161 12.046 1.00 50.22 N ATOM 537 CA GLU A 37 -0.081 -0.295 12.109 1.00 33.01 C ATOM 538 C GLU A 37 -1.097 -0.845 11.112 1.00 73.50 C ATOM 539 O GLU A 37 -0.788 -1.788 10.386 1.00 61.10 O ATOM 540 CB GLU A 37 -0.491 -0.690 13.540 1.00 71.24 C ATOM 541 CG GLU A 37 -0.114 -2.140 13.862 1.00 12.13 C ATOM 542 CD GLU A 37 1.308 -2.188 14.412 1.00 45.44 C ATOM 543 OE1 GLU A 37 1.468 -1.953 15.633 1.00 30.22 O ATOM 544 OE2 GLU A 37 2.265 -2.377 13.628 1.00 5.23 O ATOM 0 H GLU A 37 0.000 1.588 12.972 1.00 50.22 H new ATOM 0 HA GLU A 37 0.886 -0.724 11.846 1.00 33.01 H new ATOM 0 HB2 GLU A 37 -0.008 -0.022 14.253 1.00 71.24 H new ATOM 0 HB3 GLU A 37 -1.567 -0.559 13.659 1.00 71.24 H new ATOM 0 HG2 GLU A 37 -0.811 -2.555 14.591 1.00 12.13 H new ATOM 0 HG3 GLU A 37 -0.189 -2.754 12.964 1.00 12.13 H new ATOM 551 N ARG A 38 -2.282 -0.226 11.039 1.00 74.20 N ATOM 552 CA ARG A 38 -3.354 -0.647 10.133 1.00 44.12 C ATOM 553 C ARG A 38 -2.904 -0.716 8.681 1.00 24.11 C ATOM 554 O ARG A 38 -3.442 -1.521 7.928 1.00 71.40 O ATOM 555 CB ARG A 38 -4.604 0.221 10.310 1.00 65.23 C ATOM 556 CG ARG A 38 -4.333 1.682 9.952 1.00 53.41 C ATOM 557 CD ARG A 38 -5.533 2.576 10.290 1.00 23.22 C ATOM 558 NE ARG A 38 -5.107 3.949 10.604 1.00 41.20 N ATOM 559 CZ ARG A 38 -5.868 4.940 11.079 1.00 54.31 C ATOM 560 NH1 ARG A 38 -7.153 4.745 11.365 1.00 30.32 N ATOM 561 NH2 ARG A 38 -5.307 6.128 11.263 1.00 64.52 N ATOM 0 H ARG A 38 -2.524 0.584 11.610 1.00 74.20 H new ATOM 0 HA ARG A 38 -3.621 -1.667 10.411 1.00 44.12 H new ATOM 0 HB2 ARG A 38 -5.407 -0.165 9.682 1.00 65.23 H new ATOM 0 HB3 ARG A 38 -4.948 0.157 11.342 1.00 65.23 H new ATOM 0 HG2 ARG A 38 -3.453 2.033 10.492 1.00 53.41 H new ATOM 0 HG3 ARG A 38 -4.107 1.761 8.889 1.00 53.41 H new ATOM 0 HD2 ARG A 38 -6.226 2.592 9.449 1.00 23.22 H new ATOM 0 HD3 ARG A 38 -6.073 2.157 11.139 1.00 23.22 H new ATOM 0 HE ARG A 38 -4.124 4.168 10.442 1.00 41.20 H new ATOM 0 HH11 ARG A 38 -7.574 3.827 11.223 1.00 30.32 H new ATOM 0 HH12 ARG A 38 -7.717 5.514 11.727 1.00 30.32 H new ATOM 0 HH21 ARG A 38 -4.321 6.266 11.043 1.00 64.52 H new ATOM 0 HH22 ARG A 38 -5.862 6.904 11.624 1.00 64.52 H new ATOM 575 N ALA A 39 -1.931 0.104 8.280 1.00 1.02 N ATOM 576 CA ALA A 39 -1.396 0.055 6.936 1.00 42.24 C ATOM 577 C ALA A 39 -0.613 -1.241 6.715 1.00 74.04 C ATOM 578 O ALA A 39 -0.790 -1.872 5.670 1.00 5.04 O ATOM 579 CB ALA A 39 -0.532 1.293 6.679 1.00 33.32 C ATOM 0 H ALA A 39 -1.501 0.810 8.877 1.00 1.02 H new ATOM 0 HA ALA A 39 -2.217 0.060 6.219 1.00 42.24 H new ATOM 0 HB1 ALA A 39 -0.131 1.253 5.666 1.00 33.32 H new ATOM 0 HB2 ALA A 39 -1.139 2.191 6.793 1.00 33.32 H new ATOM 0 HB3 ALA A 39 0.290 1.318 7.394 1.00 33.32 H new ATOM 585 N ILE A 40 0.284 -1.622 7.632 1.00 13.21 N ATOM 586 CA ILE A 40 1.071 -2.845 7.463 1.00 21.11 C ATOM 587 C ILE A 40 0.173 -4.064 7.647 1.00 71.41 C ATOM 588 O ILE A 40 0.257 -5.023 6.882 1.00 42.40 O ATOM 589 CB ILE A 40 2.274 -2.901 8.428 1.00 24.33 C ATOM 590 CG1 ILE A 40 3.072 -1.584 8.395 1.00 63.41 C ATOM 591 CG2 ILE A 40 3.210 -4.059 8.033 1.00 62.15 C ATOM 592 CD1 ILE A 40 2.675 -0.666 9.537 1.00 44.23 C ATOM 0 H ILE A 40 0.480 -1.106 8.490 1.00 13.21 H new ATOM 0 HA ILE A 40 1.478 -2.845 6.452 1.00 21.11 H new ATOM 0 HB ILE A 40 1.888 -3.057 9.435 1.00 24.33 H new ATOM 0 HG12 ILE A 40 4.138 -1.802 8.455 1.00 63.41 H new ATOM 0 HG13 ILE A 40 2.903 -1.078 7.444 1.00 63.41 H new ATOM 0 HG21 ILE A 40 4.057 -4.092 8.718 1.00 62.15 H new ATOM 0 HG22 ILE A 40 2.665 -5.001 8.084 1.00 62.15 H new ATOM 0 HG23 ILE A 40 3.572 -3.904 7.017 1.00 62.15 H new ATOM 0 HD11 ILE A 40 3.257 0.254 9.484 1.00 44.23 H new ATOM 0 HD12 ILE A 40 1.614 -0.429 9.461 1.00 44.23 H new ATOM 0 HD13 ILE A 40 2.868 -1.163 10.488 1.00 44.23 H new ATOM 604 N GLU A 41 -0.690 -4.042 8.656 1.00 62.12 N ATOM 605 CA GLU A 41 -1.494 -5.188 9.017 1.00 23.14 C ATOM 606 C GLU A 41 -2.520 -5.485 7.926 1.00 45.24 C ATOM 607 O GLU A 41 -2.613 -6.629 7.488 1.00 22.33 O ATOM 608 CB GLU A 41 -2.143 -4.925 10.380 1.00 54.02 C ATOM 609 CG GLU A 41 -2.679 -6.224 10.975 1.00 22.51 C ATOM 610 CD GLU A 41 -3.307 -5.988 12.348 1.00 30.55 C ATOM 611 OE1 GLU A 41 -2.568 -5.587 13.285 1.00 30.11 O ATOM 612 OE2 GLU A 41 -4.522 -6.237 12.509 1.00 25.54 O ATOM 0 H GLU A 41 -0.847 -3.224 9.244 1.00 62.12 H new ATOM 0 HA GLU A 41 -0.870 -6.078 9.103 1.00 23.14 H new ATOM 0 HB2 GLU A 41 -1.413 -4.481 11.057 1.00 54.02 H new ATOM 0 HB3 GLU A 41 -2.955 -4.206 10.270 1.00 54.02 H new ATOM 0 HG2 GLU A 41 -3.421 -6.656 10.303 1.00 22.51 H new ATOM 0 HG3 GLU A 41 -1.869 -6.948 11.063 1.00 22.51 H new ATOM 619 N ALA A 42 -3.260 -4.481 7.440 1.00 54.43 N ATOM 620 CA ALA A 42 -4.283 -4.731 6.431 1.00 5.31 C ATOM 621 C ALA A 42 -3.672 -5.130 5.079 1.00 1.01 C ATOM 622 O ALA A 42 -4.346 -5.809 4.308 1.00 73.34 O ATOM 623 CB ALA A 42 -5.219 -3.530 6.307 1.00 53.02 C ATOM 0 H ALA A 42 -3.169 -3.506 7.726 1.00 54.43 H new ATOM 0 HA ALA A 42 -4.877 -5.583 6.760 1.00 5.31 H new ATOM 0 HB1 ALA A 42 -5.976 -3.735 5.550 1.00 53.02 H new ATOM 0 HB2 ALA A 42 -5.705 -3.347 7.265 1.00 53.02 H new ATOM 0 HB3 ALA A 42 -4.645 -2.650 6.018 1.00 53.02 H new ATOM 629 N LEU A 43 -2.406 -4.786 4.797 1.00 71.23 N ATOM 630 CA LEU A 43 -1.658 -5.350 3.673 1.00 43.12 C ATOM 631 C LEU A 43 -1.542 -6.878 3.773 1.00 4.01 C ATOM 632 O LEU A 43 -1.639 -7.548 2.743 1.00 13.01 O ATOM 633 CB LEU A 43 -0.248 -4.727 3.594 1.00 11.44 C ATOM 634 CG LEU A 43 -0.076 -3.543 2.636 1.00 30.13 C ATOM 635 CD1 LEU A 43 1.382 -3.078 2.655 1.00 42.44 C ATOM 636 CD2 LEU A 43 -0.458 -3.848 1.178 1.00 62.31 C ATOM 0 H LEU A 43 -1.876 -4.108 5.345 1.00 71.23 H new ATOM 0 HA LEU A 43 -2.212 -5.111 2.765 1.00 43.12 H new ATOM 0 HB2 LEU A 43 0.037 -4.401 4.594 1.00 11.44 H new ATOM 0 HB3 LEU A 43 0.454 -5.508 3.301 1.00 11.44 H new ATOM 0 HG LEU A 43 -0.759 -2.773 2.995 1.00 30.13 H new ATOM 0 HD11 LEU A 43 1.504 -2.236 1.974 1.00 42.44 H new ATOM 0 HD12 LEU A 43 1.652 -2.770 3.665 1.00 42.44 H new ATOM 0 HD13 LEU A 43 2.029 -3.897 2.340 1.00 42.44 H new ATOM 0 HD21 LEU A 43 -0.307 -2.957 0.568 1.00 62.31 H new ATOM 0 HD22 LEU A 43 0.167 -4.657 0.800 1.00 62.31 H new ATOM 0 HD23 LEU A 43 -1.505 -4.146 1.131 1.00 62.31 H new ATOM 648 N LYS A 44 -1.370 -7.435 4.980 1.00 45.10 N ATOM 649 CA LYS A 44 -1.312 -8.886 5.189 1.00 33.34 C ATOM 650 C LYS A 44 -2.651 -9.554 4.868 1.00 70.54 C ATOM 651 O LYS A 44 -2.700 -10.759 4.615 1.00 54.02 O ATOM 652 CB LYS A 44 -1.013 -9.236 6.656 1.00 30.55 C ATOM 653 CG LYS A 44 0.167 -8.568 7.375 1.00 63.13 C ATOM 654 CD LYS A 44 1.543 -9.099 6.953 1.00 11.11 C ATOM 655 CE LYS A 44 2.516 -9.124 8.137 1.00 53.21 C ATOM 656 NZ LYS A 44 2.962 -7.793 8.587 1.00 42.41 N ATOM 0 H LYS A 44 -1.267 -6.892 5.837 1.00 45.10 H new ATOM 0 HA LYS A 44 -0.522 -9.243 4.528 1.00 33.34 H new ATOM 0 HB2 LYS A 44 -1.912 -9.016 7.232 1.00 30.55 H new ATOM 0 HB3 LYS A 44 -0.857 -10.314 6.708 1.00 30.55 H new ATOM 0 HG2 LYS A 44 0.131 -7.495 7.188 1.00 63.13 H new ATOM 0 HG3 LYS A 44 0.050 -8.708 8.450 1.00 63.13 H new ATOM 0 HD2 LYS A 44 1.438 -10.104 6.544 1.00 11.11 H new ATOM 0 HD3 LYS A 44 1.949 -8.473 6.159 1.00 11.11 H new ATOM 0 HE2 LYS A 44 2.039 -9.636 8.973 1.00 53.21 H new ATOM 0 HE3 LYS A 44 3.391 -9.713 7.860 1.00 53.21 H new ATOM 0 HZ1 LYS A 44 3.099 -7.803 9.618 1.00 42.41 H new ATOM 0 HZ2 LYS A 44 3.860 -7.552 8.121 1.00 42.41 H new ATOM 0 HZ3 LYS A 44 2.242 -7.084 8.340 1.00 42.41 H new ATOM 670 N GLU A 45 -3.761 -8.818 4.969 1.00 2.32 N ATOM 671 CA GLU A 45 -5.105 -9.385 4.954 1.00 64.53 C ATOM 672 C GLU A 45 -5.654 -9.526 3.525 1.00 52.00 C ATOM 673 O GLU A 45 -6.875 -9.589 3.337 1.00 10.13 O ATOM 674 CB GLU A 45 -6.052 -8.568 5.846 1.00 52.20 C ATOM 675 CG GLU A 45 -5.655 -8.545 7.338 1.00 70.21 C ATOM 676 CD GLU A 45 -6.834 -8.349 8.309 1.00 42.42 C ATOM 677 OE1 GLU A 45 -8.007 -8.581 7.925 1.00 64.52 O ATOM 678 OE2 GLU A 45 -6.588 -8.024 9.498 1.00 42.43 O ATOM 0 H GLU A 45 -3.748 -7.803 5.064 1.00 2.32 H new ATOM 0 HA GLU A 45 -5.041 -10.392 5.366 1.00 64.53 H new ATOM 0 HB2 GLU A 45 -6.088 -7.544 5.476 1.00 52.20 H new ATOM 0 HB3 GLU A 45 -7.059 -8.975 5.756 1.00 52.20 H new ATOM 0 HG2 GLU A 45 -5.152 -9.481 7.582 1.00 70.21 H new ATOM 0 HG3 GLU A 45 -4.933 -7.744 7.497 1.00 70.21 H new ATOM 685 N PHE A 46 -4.801 -9.569 2.503 1.00 5.44 N ATOM 686 CA PHE A 46 -5.196 -9.784 1.120 1.00 14.02 C ATOM 687 C PHE A 46 -4.427 -10.963 0.537 1.00 31.32 C ATOM 688 O PHE A 46 -3.326 -11.291 0.981 1.00 14.34 O ATOM 689 CB PHE A 46 -4.940 -8.515 0.306 1.00 13.15 C ATOM 690 CG PHE A 46 -5.980 -7.437 0.492 1.00 32.11 C ATOM 691 CD1 PHE A 46 -7.212 -7.536 -0.182 1.00 54.13 C ATOM 692 CD2 PHE A 46 -5.718 -6.335 1.324 1.00 42.04 C ATOM 693 CE1 PHE A 46 -8.179 -6.529 -0.028 1.00 31.11 C ATOM 694 CE2 PHE A 46 -6.690 -5.335 1.484 1.00 3.41 C ATOM 695 CZ PHE A 46 -7.918 -5.429 0.805 1.00 50.01 C ATOM 0 H PHE A 46 -3.795 -9.452 2.621 1.00 5.44 H new ATOM 0 HA PHE A 46 -6.261 -10.014 1.079 1.00 14.02 H new ATOM 0 HB2 PHE A 46 -3.964 -8.113 0.579 1.00 13.15 H new ATOM 0 HB3 PHE A 46 -4.892 -8.779 -0.751 1.00 13.15 H new ATOM 0 HD1 PHE A 46 -7.414 -8.386 -0.817 1.00 54.13 H new ATOM 0 HD2 PHE A 46 -4.772 -6.258 1.839 1.00 42.04 H new ATOM 0 HE1 PHE A 46 -9.122 -6.601 -0.550 1.00 31.11 H new ATOM 0 HE2 PHE A 46 -6.494 -4.492 2.130 1.00 3.41 H new ATOM 0 HZ PHE A 46 -8.661 -4.654 0.924 1.00 50.01 H new ATOM 705 N ASN A 47 -4.997 -11.566 -0.506 1.00 23.54 N ATOM 706 CA ASN A 47 -4.251 -12.328 -1.496 1.00 3.42 C ATOM 707 C ASN A 47 -3.375 -11.392 -2.300 1.00 64.40 C ATOM 708 O ASN A 47 -3.565 -10.180 -2.281 1.00 22.51 O ATOM 709 CB ASN A 47 -5.178 -13.087 -2.462 1.00 65.42 C ATOM 710 CG ASN A 47 -6.222 -12.231 -3.180 1.00 42.23 C ATOM 711 OD1 ASN A 47 -6.884 -11.378 -2.590 1.00 21.13 O ATOM 712 ND2 ASN A 47 -6.423 -12.451 -4.467 1.00 53.01 N ATOM 0 H ASN A 47 -6.001 -11.536 -0.685 1.00 23.54 H new ATOM 0 HA ASN A 47 -3.648 -13.059 -0.957 1.00 3.42 H new ATOM 0 HB2 ASN A 47 -4.563 -13.585 -3.212 1.00 65.42 H new ATOM 0 HB3 ASN A 47 -5.695 -13.868 -1.904 1.00 65.42 H new ATOM 0 HD21 ASN A 47 -7.127 -11.914 -4.972 1.00 53.01 H new ATOM 0 HD22 ASN A 47 -5.874 -13.158 -4.955 1.00 53.01 H new ATOM 719 N GLU A 48 -2.487 -11.979 -3.091 1.00 12.15 N ATOM 720 CA GLU A 48 -1.630 -11.313 -4.025 1.00 43.11 C ATOM 721 C GLU A 48 -2.457 -10.375 -4.900 1.00 73.51 C ATOM 722 O GLU A 48 -2.238 -9.170 -4.904 1.00 41.14 O ATOM 723 CB GLU A 48 -0.987 -12.447 -4.819 1.00 61.52 C ATOM 724 CG GLU A 48 0.039 -11.880 -5.759 1.00 5.12 C ATOM 725 CD GLU A 48 0.633 -12.965 -6.643 1.00 24.13 C ATOM 726 OE1 GLU A 48 0.058 -13.220 -7.728 1.00 4.41 O ATOM 727 OE2 GLU A 48 1.678 -13.539 -6.270 1.00 33.11 O ATOM 0 H GLU A 48 -2.348 -12.990 -3.087 1.00 12.15 H new ATOM 0 HA GLU A 48 -0.870 -10.686 -3.559 1.00 43.11 H new ATOM 0 HB2 GLU A 48 -0.520 -13.161 -4.141 1.00 61.52 H new ATOM 0 HB3 GLU A 48 -1.748 -12.991 -5.379 1.00 61.52 H new ATOM 0 HG2 GLU A 48 -0.419 -11.111 -6.381 1.00 5.12 H new ATOM 0 HG3 GLU A 48 0.832 -11.398 -5.188 1.00 5.12 H new ATOM 734 N ASP A 49 -3.433 -10.946 -5.607 1.00 31.15 N ATOM 735 CA ASP A 49 -4.250 -10.249 -6.591 1.00 25.31 C ATOM 736 C ASP A 49 -5.291 -9.325 -5.935 1.00 1.42 C ATOM 737 O ASP A 49 -6.058 -8.649 -6.626 1.00 50.34 O ATOM 738 CB ASP A 49 -4.948 -11.298 -7.473 1.00 22.51 C ATOM 739 CG ASP A 49 -4.610 -11.109 -8.945 1.00 41.23 C ATOM 740 OD1 ASP A 49 -3.480 -11.503 -9.324 1.00 31.55 O ATOM 741 OD2 ASP A 49 -5.473 -10.617 -9.706 1.00 31.32 O ATOM 0 H ASP A 49 -3.680 -11.930 -5.506 1.00 31.15 H new ATOM 0 HA ASP A 49 -3.602 -9.612 -7.192 1.00 25.31 H new ATOM 0 HB2 ASP A 49 -4.649 -12.297 -7.156 1.00 22.51 H new ATOM 0 HB3 ASP A 49 -6.027 -11.229 -7.335 1.00 22.51 H new ATOM 746 N GLY A 50 -5.386 -9.327 -4.601 1.00 61.21 N ATOM 747 CA GLY A 50 -6.068 -8.294 -3.844 1.00 13.03 C ATOM 748 C GLY A 50 -5.098 -7.149 -3.579 1.00 11.04 C ATOM 749 O GLY A 50 -5.365 -6.010 -3.949 1.00 54.03 O ATOM 0 H GLY A 50 -4.983 -10.060 -4.017 1.00 61.21 H new ATOM 0 HA2 GLY A 50 -6.935 -7.932 -4.397 1.00 13.03 H new ATOM 0 HA3 GLY A 50 -6.438 -8.700 -2.902 1.00 13.03 H new ATOM 753 N ALA A 51 -3.967 -7.452 -2.940 1.00 73.32 N ATOM 754 CA ALA A 51 -2.967 -6.487 -2.515 1.00 41.04 C ATOM 755 C ALA A 51 -2.404 -5.682 -3.688 1.00 72.50 C ATOM 756 O ALA A 51 -2.297 -4.467 -3.575 1.00 51.31 O ATOM 757 CB ALA A 51 -1.843 -7.214 -1.775 1.00 25.55 C ATOM 0 H ALA A 51 -3.719 -8.411 -2.698 1.00 73.32 H new ATOM 0 HA ALA A 51 -3.449 -5.774 -1.846 1.00 41.04 H new ATOM 0 HB1 ALA A 51 -1.092 -6.492 -1.455 1.00 25.55 H new ATOM 0 HB2 ALA A 51 -2.252 -7.723 -0.902 1.00 25.55 H new ATOM 0 HB3 ALA A 51 -1.384 -7.946 -2.440 1.00 25.55 H new ATOM 763 N LEU A 52 -2.044 -6.322 -4.804 1.00 63.30 N ATOM 764 CA LEU A 52 -1.540 -5.622 -5.987 1.00 73.34 C ATOM 765 C LEU A 52 -2.578 -4.635 -6.508 1.00 1.35 C ATOM 766 O LEU A 52 -2.218 -3.492 -6.806 1.00 1.11 O ATOM 767 CB LEU A 52 -1.145 -6.616 -7.093 1.00 52.13 C ATOM 768 CG LEU A 52 0.307 -7.115 -7.066 1.00 42.53 C ATOM 769 CD1 LEU A 52 1.324 -5.981 -6.962 1.00 41.23 C ATOM 770 CD2 LEU A 52 0.582 -8.143 -5.972 1.00 23.05 C ATOM 0 H LEU A 52 -2.094 -7.335 -4.912 1.00 63.30 H new ATOM 0 HA LEU A 52 -0.648 -5.069 -5.694 1.00 73.34 H new ATOM 0 HB2 LEU A 52 -1.806 -7.480 -7.029 1.00 52.13 H new ATOM 0 HB3 LEU A 52 -1.328 -6.145 -8.059 1.00 52.13 H new ATOM 0 HG LEU A 52 0.432 -7.610 -8.029 1.00 42.53 H new ATOM 0 HD11 LEU A 52 2.332 -6.396 -6.947 1.00 41.23 H new ATOM 0 HD12 LEU A 52 1.218 -5.317 -7.820 1.00 41.23 H new ATOM 0 HD13 LEU A 52 1.150 -5.419 -6.044 1.00 41.23 H new ATOM 0 HD21 LEU A 52 1.627 -8.449 -6.015 1.00 23.05 H new ATOM 0 HD22 LEU A 52 0.372 -7.702 -4.997 1.00 23.05 H new ATOM 0 HD23 LEU A 52 -0.057 -9.013 -6.121 1.00 23.05 H new ATOM 782 N ALA A 53 -3.849 -5.045 -6.584 1.00 43.40 N ATOM 783 CA ALA A 53 -4.898 -4.128 -6.997 1.00 4.23 C ATOM 784 C ALA A 53 -4.986 -2.920 -6.050 1.00 10.14 C ATOM 785 O ALA A 53 -5.042 -1.784 -6.513 1.00 54.43 O ATOM 786 CB ALA A 53 -6.222 -4.875 -7.129 1.00 11.03 C ATOM 0 H ALA A 53 -4.165 -5.990 -6.368 1.00 43.40 H new ATOM 0 HA ALA A 53 -4.653 -3.724 -7.979 1.00 4.23 H new ATOM 0 HB1 ALA A 53 -7.003 -4.180 -7.439 1.00 11.03 H new ATOM 0 HB2 ALA A 53 -6.122 -5.664 -7.874 1.00 11.03 H new ATOM 0 HB3 ALA A 53 -6.489 -5.315 -6.168 1.00 11.03 H new ATOM 792 N VAL A 54 -4.921 -3.130 -4.730 1.00 31.52 N ATOM 793 CA VAL A 54 -4.892 -2.044 -3.744 1.00 4.35 C ATOM 794 C VAL A 54 -3.750 -1.067 -4.062 1.00 32.54 C ATOM 795 O VAL A 54 -3.940 0.146 -3.957 1.00 15.25 O ATOM 796 CB VAL A 54 -4.780 -2.622 -2.315 1.00 10.12 C ATOM 797 CG1 VAL A 54 -4.526 -1.565 -1.231 1.00 41.23 C ATOM 798 CG2 VAL A 54 -6.032 -3.407 -1.907 1.00 62.50 C ATOM 0 H VAL A 54 -4.887 -4.061 -4.315 1.00 31.52 H new ATOM 0 HA VAL A 54 -5.825 -1.483 -3.797 1.00 4.35 H new ATOM 0 HB VAL A 54 -3.914 -3.281 -2.372 1.00 10.12 H new ATOM 0 HG11 VAL A 54 -4.460 -2.051 -0.257 1.00 41.23 H new ATOM 0 HG12 VAL A 54 -3.591 -1.046 -1.441 1.00 41.23 H new ATOM 0 HG13 VAL A 54 -5.346 -0.847 -1.223 1.00 41.23 H new ATOM 0 HG21 VAL A 54 -5.906 -3.793 -0.896 1.00 62.50 H new ATOM 0 HG22 VAL A 54 -6.900 -2.749 -1.938 1.00 62.50 H new ATOM 0 HG23 VAL A 54 -6.181 -4.238 -2.597 1.00 62.50 H new ATOM 808 N LEU A 55 -2.574 -1.571 -4.453 1.00 43.31 N ATOM 809 CA LEU A 55 -1.408 -0.742 -4.744 1.00 4.15 C ATOM 810 C LEU A 55 -1.703 0.140 -5.946 1.00 61.34 C ATOM 811 O LEU A 55 -1.548 1.363 -5.864 1.00 54.13 O ATOM 812 CB LEU A 55 -0.137 -1.567 -5.024 1.00 62.34 C ATOM 813 CG LEU A 55 0.392 -2.483 -3.908 1.00 12.31 C ATOM 814 CD1 LEU A 55 1.849 -2.835 -4.229 1.00 33.11 C ATOM 815 CD2 LEU A 55 0.284 -1.866 -2.509 1.00 74.30 C ATOM 0 H LEU A 55 -2.408 -2.570 -4.576 1.00 43.31 H new ATOM 0 HA LEU A 55 -1.215 -0.141 -3.855 1.00 4.15 H new ATOM 0 HB2 LEU A 55 -0.327 -2.186 -5.901 1.00 62.34 H new ATOM 0 HB3 LEU A 55 0.659 -0.872 -5.291 1.00 62.34 H new ATOM 0 HG LEU A 55 -0.231 -3.377 -3.882 1.00 12.31 H new ATOM 0 HD11 LEU A 55 2.246 -3.485 -3.450 1.00 33.11 H new ATOM 0 HD12 LEU A 55 1.896 -3.349 -5.189 1.00 33.11 H new ATOM 0 HD13 LEU A 55 2.442 -1.922 -4.277 1.00 33.11 H new ATOM 0 HD21 LEU A 55 0.675 -2.567 -1.771 1.00 74.30 H new ATOM 0 HD22 LEU A 55 0.861 -0.942 -2.473 1.00 74.30 H new ATOM 0 HD23 LEU A 55 -0.761 -1.650 -2.286 1.00 74.30 H new ATOM 827 N GLN A 56 -2.156 -0.481 -7.043 1.00 55.31 N ATOM 828 CA GLN A 56 -2.367 0.217 -8.301 1.00 15.01 C ATOM 829 C GLN A 56 -3.359 1.364 -8.092 1.00 40.22 C ATOM 830 O GLN A 56 -3.234 2.393 -8.748 1.00 75.12 O ATOM 831 CB GLN A 56 -2.816 -0.753 -9.419 1.00 61.23 C ATOM 832 CG GLN A 56 -4.341 -0.826 -9.623 1.00 64.11 C ATOM 833 CD GLN A 56 -4.828 -2.087 -10.314 1.00 42.10 C ATOM 834 OE1 GLN A 56 -4.237 -2.569 -11.272 1.00 60.42 O ATOM 835 NE2 GLN A 56 -5.942 -2.620 -9.842 1.00 63.11 N ATOM 0 H GLN A 56 -2.383 -1.475 -7.076 1.00 55.31 H new ATOM 0 HA GLN A 56 -1.421 0.644 -8.634 1.00 15.01 H new ATOM 0 HB2 GLN A 56 -2.350 -0.448 -10.356 1.00 61.23 H new ATOM 0 HB3 GLN A 56 -2.444 -1.751 -9.188 1.00 61.23 H new ATOM 0 HG2 GLN A 56 -4.828 -0.749 -8.651 1.00 64.11 H new ATOM 0 HG3 GLN A 56 -4.658 0.038 -10.207 1.00 64.11 H new ATOM 0 HE21 GLN A 56 -6.412 -2.195 -9.042 1.00 63.11 H new ATOM 0 HE22 GLN A 56 -6.332 -3.456 -10.278 1.00 63.11 H new ATOM 844 N GLN A 57 -4.345 1.207 -7.198 1.00 72.53 N ATOM 845 CA GLN A 57 -5.429 2.177 -7.076 1.00 3.23 C ATOM 846 C GLN A 57 -5.114 3.249 -6.037 1.00 23.45 C ATOM 847 O GLN A 57 -5.552 4.388 -6.159 1.00 3.31 O ATOM 848 CB GLN A 57 -6.739 1.465 -6.754 1.00 72.20 C ATOM 849 CG GLN A 57 -7.936 2.163 -7.411 1.00 60.20 C ATOM 850 CD GLN A 57 -9.261 1.636 -6.864 1.00 3.01 C ATOM 851 OE1 GLN A 57 -9.972 0.850 -7.490 1.00 41.11 O ATOM 852 NE2 GLN A 57 -9.631 2.071 -5.671 1.00 62.50 N ATOM 0 H GLN A 57 -4.410 0.419 -6.554 1.00 72.53 H new ATOM 0 HA GLN A 57 -5.536 2.685 -8.034 1.00 3.23 H new ATOM 0 HB2 GLN A 57 -6.686 0.432 -7.097 1.00 72.20 H new ATOM 0 HB3 GLN A 57 -6.882 1.435 -5.674 1.00 72.20 H new ATOM 0 HG2 GLN A 57 -7.872 3.237 -7.239 1.00 60.20 H new ATOM 0 HG3 GLN A 57 -7.900 2.011 -8.490 1.00 60.20 H new ATOM 0 HE21 GLN A 57 -9.036 2.722 -5.159 1.00 62.50 H new ATOM 0 HE22 GLN A 57 -10.511 1.755 -5.263 1.00 62.50 H new ATOM 861 N PHE A 58 -4.297 2.912 -5.038 1.00 15.05 N ATOM 862 CA PHE A 58 -3.658 3.902 -4.177 1.00 15.02 C ATOM 863 C PHE A 58 -2.730 4.817 -4.987 1.00 60.23 C ATOM 864 O PHE A 58 -2.389 5.924 -4.565 1.00 1.05 O ATOM 865 CB PHE A 58 -2.883 3.161 -3.086 1.00 42.10 C ATOM 866 CG PHE A 58 -2.122 4.068 -2.148 1.00 21.55 C ATOM 867 CD1 PHE A 58 -2.819 4.942 -1.297 1.00 13.33 C ATOM 868 CD2 PHE A 58 -0.716 4.055 -2.144 1.00 73.20 C ATOM 869 CE1 PHE A 58 -2.117 5.808 -0.444 1.00 42.33 C ATOM 870 CE2 PHE A 58 -0.017 4.909 -1.280 1.00 53.30 C ATOM 871 CZ PHE A 58 -0.712 5.797 -0.444 1.00 34.53 C ATOM 0 H PHE A 58 -4.062 1.947 -4.805 1.00 15.05 H new ATOM 0 HA PHE A 58 -4.416 4.539 -3.722 1.00 15.02 H new ATOM 0 HB2 PHE A 58 -3.581 2.558 -2.505 1.00 42.10 H new ATOM 0 HB3 PHE A 58 -2.182 2.472 -3.557 1.00 42.10 H new ATOM 0 HD1 PHE A 58 -3.899 4.948 -1.299 1.00 13.33 H new ATOM 0 HD2 PHE A 58 -0.177 3.390 -2.803 1.00 73.20 H new ATOM 0 HE1 PHE A 58 -2.654 6.480 0.209 1.00 42.33 H new ATOM 0 HE2 PHE A 58 1.062 4.884 -1.257 1.00 53.30 H new ATOM 0 HZ PHE A 58 -0.167 6.472 0.199 1.00 34.53 H new ATOM 881 N LYS A 59 -2.304 4.360 -6.162 1.00 64.22 N ATOM 882 CA LYS A 59 -1.484 5.130 -7.086 1.00 44.30 C ATOM 883 C LYS A 59 -2.266 5.703 -8.265 1.00 15.23 C ATOM 884 O LYS A 59 -1.853 6.715 -8.825 1.00 64.30 O ATOM 885 CB LYS A 59 -0.292 4.242 -7.451 1.00 14.22 C ATOM 886 CG LYS A 59 0.902 4.993 -8.025 1.00 41.41 C ATOM 887 CD LYS A 59 1.448 6.164 -7.193 1.00 43.10 C ATOM 888 CE LYS A 59 1.630 5.971 -5.682 1.00 62.44 C ATOM 889 NZ LYS A 59 0.507 6.491 -4.873 1.00 23.04 N ATOM 0 H LYS A 59 -2.525 3.424 -6.503 1.00 64.22 H new ATOM 0 HA LYS A 59 -1.115 6.043 -6.618 1.00 44.30 H new ATOM 0 HB2 LYS A 59 0.029 3.702 -6.560 1.00 14.22 H new ATOM 0 HB3 LYS A 59 -0.619 3.496 -8.176 1.00 14.22 H new ATOM 0 HG2 LYS A 59 1.711 4.279 -8.178 1.00 41.41 H new ATOM 0 HG3 LYS A 59 0.623 5.375 -9.007 1.00 41.41 H new ATOM 0 HD2 LYS A 59 2.416 6.443 -7.610 1.00 43.10 H new ATOM 0 HD3 LYS A 59 0.781 7.013 -7.340 1.00 43.10 H new ATOM 0 HE2 LYS A 59 1.754 4.908 -5.474 1.00 62.44 H new ATOM 0 HE3 LYS A 59 2.550 6.466 -5.370 1.00 62.44 H new ATOM 0 HZ1 LYS A 59 0.849 6.737 -3.922 1.00 23.04 H new ATOM 0 HZ2 LYS A 59 0.114 7.339 -5.329 1.00 23.04 H new ATOM 0 HZ3 LYS A 59 -0.233 5.764 -4.798 1.00 23.04 H new ATOM 903 N ASP A 60 -3.439 5.157 -8.560 1.00 52.04 N ATOM 904 CA ASP A 60 -4.518 5.791 -9.320 1.00 11.21 C ATOM 905 C ASP A 60 -5.266 6.710 -8.353 1.00 60.51 C ATOM 906 O ASP A 60 -6.431 6.499 -8.024 1.00 31.23 O ATOM 907 CB ASP A 60 -5.455 4.734 -9.939 1.00 12.44 C ATOM 908 CG ASP A 60 -6.353 5.269 -11.064 1.00 43.12 C ATOM 909 OD1 ASP A 60 -6.828 6.430 -11.019 1.00 54.11 O ATOM 910 OD2 ASP A 60 -6.591 4.464 -11.997 1.00 22.45 O ATOM 0 H ASP A 60 -3.679 4.212 -8.262 1.00 52.04 H new ATOM 0 HA ASP A 60 -4.118 6.367 -10.154 1.00 11.21 H new ATOM 0 HB2 ASP A 60 -4.852 3.915 -10.330 1.00 12.44 H new ATOM 0 HB3 ASP A 60 -6.085 4.319 -9.153 1.00 12.44 H new ATOM 915 N SER A 61 -4.571 7.682 -7.784 1.00 1.12 N ATOM 916 CA SER A 61 -5.128 8.769 -6.996 1.00 71.10 C ATOM 917 C SER A 61 -4.118 9.912 -7.003 1.00 24.54 C ATOM 918 O SER A 61 -2.938 9.709 -7.297 1.00 24.54 O ATOM 919 CB SER A 61 -5.408 8.298 -5.561 1.00 1.44 C ATOM 920 OG SER A 61 -6.557 7.470 -5.514 1.00 20.24 O ATOM 0 H SER A 61 -3.556 7.737 -7.863 1.00 1.12 H new ATOM 0 HA SER A 61 -6.074 9.104 -7.421 1.00 71.10 H new ATOM 0 HB2 SER A 61 -4.546 7.752 -5.179 1.00 1.44 H new ATOM 0 HB3 SER A 61 -5.551 9.162 -4.912 1.00 1.44 H new ATOM 0 HG SER A 61 -6.755 7.134 -6.413 1.00 20.24 H new ATOM 926 N ASP A 62 -4.570 11.104 -6.628 1.00 44.43 N ATOM 927 CA ASP A 62 -3.746 12.270 -6.403 1.00 34.11 C ATOM 928 C ASP A 62 -3.696 12.435 -4.895 1.00 60.53 C ATOM 929 O ASP A 62 -4.715 12.396 -4.205 1.00 74.51 O ATOM 930 CB ASP A 62 -4.332 13.518 -7.068 1.00 33.21 C ATOM 931 CG ASP A 62 -3.341 14.678 -6.974 1.00 20.45 C ATOM 932 OD1 ASP A 62 -2.927 15.053 -5.857 1.00 74.24 O ATOM 933 OD2 ASP A 62 -2.914 15.183 -8.035 1.00 4.42 O ATOM 0 H ASP A 62 -5.561 11.284 -6.468 1.00 44.43 H new ATOM 0 HA ASP A 62 -2.755 12.144 -6.838 1.00 34.11 H new ATOM 0 HB2 ASP A 62 -4.561 13.309 -8.113 1.00 33.21 H new ATOM 0 HB3 ASP A 62 -5.270 13.791 -6.584 1.00 33.21 H new ATOM 938 N LEU A 63 -2.482 12.559 -4.400 1.00 42.12 N ATOM 939 CA LEU A 63 -2.092 12.588 -3.002 1.00 75.22 C ATOM 940 C LEU A 63 -1.478 13.957 -2.683 1.00 74.43 C ATOM 941 O LEU A 63 -0.435 14.027 -2.029 1.00 1.21 O ATOM 942 CB LEU A 63 -1.093 11.447 -2.752 1.00 63.44 C ATOM 943 CG LEU A 63 -1.611 10.023 -3.037 1.00 15.24 C ATOM 944 CD1 LEU A 63 -0.415 9.122 -3.358 1.00 64.10 C ATOM 945 CD2 LEU A 63 -2.406 9.447 -1.858 1.00 0.35 C ATOM 0 H LEU A 63 -1.674 12.650 -5.016 1.00 42.12 H new ATOM 0 HA LEU A 63 -2.953 12.445 -2.349 1.00 75.22 H new ATOM 0 HB2 LEU A 63 -0.211 11.622 -3.367 1.00 63.44 H new ATOM 0 HB3 LEU A 63 -0.771 11.494 -1.712 1.00 63.44 H new ATOM 0 HG LEU A 63 -2.294 10.069 -3.885 1.00 15.24 H new ATOM 0 HD11 LEU A 63 -0.766 8.110 -3.562 1.00 64.10 H new ATOM 0 HD12 LEU A 63 0.107 9.508 -4.233 1.00 64.10 H new ATOM 0 HD13 LEU A 63 0.266 9.105 -2.507 1.00 64.10 H new ATOM 0 HD21 LEU A 63 -2.750 8.443 -2.107 1.00 0.35 H new ATOM 0 HD22 LEU A 63 -1.768 9.404 -0.975 1.00 0.35 H new ATOM 0 HD23 LEU A 63 -3.266 10.084 -1.653 1.00 0.35 H new ATOM 957 N SER A 64 -2.102 15.046 -3.141 1.00 41.04 N ATOM 958 CA SER A 64 -1.639 16.409 -2.896 1.00 64.40 C ATOM 959 C SER A 64 -1.567 16.714 -1.395 1.00 71.41 C ATOM 960 O SER A 64 -2.564 17.084 -0.765 1.00 22.43 O ATOM 961 CB SER A 64 -2.524 17.414 -3.631 1.00 40.30 C ATOM 962 OG SER A 64 -2.251 17.371 -5.018 1.00 2.41 O ATOM 0 H SER A 64 -2.954 15.002 -3.700 1.00 41.04 H new ATOM 0 HA SER A 64 -0.627 16.500 -3.289 1.00 64.40 H new ATOM 0 HB2 SER A 64 -3.575 17.186 -3.451 1.00 40.30 H new ATOM 0 HB3 SER A 64 -2.345 18.418 -3.247 1.00 40.30 H new ATOM 0 HG SER A 64 -2.125 16.440 -5.298 1.00 2.41 H new ATOM 968 N HIS A 65 -0.367 16.545 -0.839 1.00 73.03 N ATOM 969 CA HIS A 65 0.032 16.790 0.542 1.00 55.31 C ATOM 970 C HIS A 65 -0.913 16.164 1.570 1.00 54.31 C ATOM 971 O HIS A 65 -1.158 16.739 2.628 1.00 14.42 O ATOM 972 CB HIS A 65 0.283 18.294 0.745 1.00 75.44 C ATOM 973 CG HIS A 65 1.056 18.948 -0.378 1.00 75.43 C ATOM 974 ND1 HIS A 65 0.716 20.124 -1.007 1.00 35.13 N ATOM 975 CD2 HIS A 65 2.176 18.460 -0.995 1.00 60.44 C ATOM 976 CE1 HIS A 65 1.625 20.365 -1.961 1.00 53.34 C ATOM 977 NE2 HIS A 65 2.532 19.369 -2.001 1.00 15.34 N ATOM 0 H HIS A 65 0.417 16.203 -1.395 1.00 73.03 H new ATOM 0 HA HIS A 65 0.973 16.272 0.727 1.00 55.31 H new ATOM 0 HB2 HIS A 65 -0.676 18.800 0.854 1.00 75.44 H new ATOM 0 HB3 HIS A 65 0.827 18.438 1.678 1.00 75.44 H new ATOM 0 HD2 HIS A 65 2.691 17.543 -0.751 1.00 60.44 H new ATOM 0 HE1 HIS A 65 1.630 21.232 -2.605 1.00 53.34 H new ATOM 0 HE2 HIS A 65 3.324 19.292 -2.639 1.00 15.34 H new ATOM 985 N VAL A 66 -1.467 14.995 1.254 1.00 63.32 N ATOM 986 CA VAL A 66 -2.203 14.182 2.205 1.00 35.45 C ATOM 987 C VAL A 66 -1.249 13.826 3.349 1.00 74.11 C ATOM 988 O VAL A 66 -0.315 13.057 3.153 1.00 44.42 O ATOM 989 CB VAL A 66 -2.814 12.953 1.494 1.00 43.32 C ATOM 990 CG1 VAL A 66 -1.886 12.230 0.535 1.00 14.22 C ATOM 991 CG2 VAL A 66 -3.343 11.939 2.517 1.00 54.13 C ATOM 0 H VAL A 66 -1.414 14.587 0.321 1.00 63.32 H new ATOM 0 HA VAL A 66 -3.050 14.721 2.629 1.00 35.45 H new ATOM 0 HB VAL A 66 -3.621 13.370 0.891 1.00 43.32 H new ATOM 0 HG11 VAL A 66 -2.410 11.384 0.089 1.00 14.22 H new ATOM 0 HG12 VAL A 66 -1.569 12.916 -0.251 1.00 14.22 H new ATOM 0 HG13 VAL A 66 -1.011 11.870 1.077 1.00 14.22 H new ATOM 0 HG21 VAL A 66 -3.768 11.083 1.994 1.00 54.13 H new ATOM 0 HG22 VAL A 66 -2.525 11.605 3.155 1.00 54.13 H new ATOM 0 HG23 VAL A 66 -4.112 12.408 3.130 1.00 54.13 H new ATOM 1001 N GLN A 67 -1.457 14.347 4.552 1.00 52.43 N ATOM 1002 CA GLN A 67 -0.746 13.850 5.721 1.00 40.21 C ATOM 1003 C GLN A 67 -1.197 12.417 6.032 1.00 2.02 C ATOM 1004 O GLN A 67 -0.379 11.578 6.412 1.00 51.51 O ATOM 1005 CB GLN A 67 -0.982 14.821 6.885 1.00 21.55 C ATOM 1006 CG GLN A 67 -0.464 14.313 8.237 1.00 63.34 C ATOM 1007 CD GLN A 67 -1.559 13.569 8.996 1.00 0.34 C ATOM 1008 OE1 GLN A 67 -2.570 14.159 9.359 1.00 42.01 O ATOM 1009 NE2 GLN A 67 -1.408 12.278 9.241 1.00 51.14 N ATOM 0 H GLN A 67 -2.108 15.109 4.742 1.00 52.43 H new ATOM 0 HA GLN A 67 0.328 13.804 5.539 1.00 40.21 H new ATOM 0 HB2 GLN A 67 -0.499 15.771 6.656 1.00 21.55 H new ATOM 0 HB3 GLN A 67 -2.051 15.019 6.968 1.00 21.55 H new ATOM 0 HG2 GLN A 67 0.388 13.652 8.079 1.00 63.34 H new ATOM 0 HG3 GLN A 67 -0.109 15.153 8.834 1.00 63.34 H new ATOM 0 HE21 GLN A 67 -0.563 11.796 8.935 1.00 51.14 H new ATOM 0 HE22 GLN A 67 -2.137 11.764 9.736 1.00 51.14 H new ATOM 1018 N ASN A 68 -2.497 12.131 5.903 1.00 15.13 N ATOM 1019 CA ASN A 68 -3.138 10.890 6.350 1.00 3.44 C ATOM 1020 C ASN A 68 -2.893 9.724 5.388 1.00 34.55 C ATOM 1021 O ASN A 68 -3.822 9.009 5.010 1.00 54.10 O ATOM 1022 CB ASN A 68 -4.642 11.135 6.573 1.00 43.03 C ATOM 1023 CG ASN A 68 -4.936 11.833 7.883 1.00 60.11 C ATOM 1024 OD1 ASN A 68 -5.314 12.995 7.900 1.00 21.45 O ATOM 1025 ND2 ASN A 68 -4.784 11.144 8.998 1.00 11.25 N ATOM 0 H ASN A 68 -3.154 12.780 5.470 1.00 15.13 H new ATOM 0 HA ASN A 68 -2.682 10.597 7.296 1.00 3.44 H new ATOM 0 HB2 ASN A 68 -5.033 11.735 5.751 1.00 43.03 H new ATOM 0 HB3 ASN A 68 -5.168 10.181 6.549 1.00 43.03 H new ATOM 0 HD21 ASN A 68 -4.983 11.580 9.898 1.00 11.25 H new ATOM 0 HD22 ASN A 68 -4.467 10.175 8.960 1.00 11.25 H new ATOM 1032 N LYS A 69 -1.637 9.474 5.011 1.00 2.23 N ATOM 1033 CA LYS A 69 -1.260 8.425 4.060 1.00 61.13 C ATOM 1034 C LYS A 69 -1.826 7.061 4.451 1.00 32.14 C ATOM 1035 O LYS A 69 -2.236 6.282 3.589 1.00 54.41 O ATOM 1036 CB LYS A 69 0.271 8.319 3.985 1.00 41.30 C ATOM 1037 CG LYS A 69 1.018 9.589 3.610 1.00 72.41 C ATOM 1038 CD LYS A 69 0.569 10.220 2.300 1.00 24.02 C ATOM 1039 CE LYS A 69 1.612 11.191 1.700 1.00 61.34 C ATOM 1040 NZ LYS A 69 2.200 12.131 2.675 1.00 32.03 N ATOM 0 H LYS A 69 -0.840 10.004 5.364 1.00 2.23 H new ATOM 0 HA LYS A 69 -1.677 8.703 3.092 1.00 61.13 H new ATOM 0 HB2 LYS A 69 0.638 7.980 4.954 1.00 41.30 H new ATOM 0 HB3 LYS A 69 0.525 7.546 3.260 1.00 41.30 H new ATOM 0 HG2 LYS A 69 0.895 10.318 4.411 1.00 72.41 H new ATOM 0 HG3 LYS A 69 2.082 9.364 3.544 1.00 72.41 H new ATOM 0 HD2 LYS A 69 0.360 9.431 1.578 1.00 24.02 H new ATOM 0 HD3 LYS A 69 -0.365 10.757 2.465 1.00 24.02 H new ATOM 0 HE2 LYS A 69 2.414 10.609 1.246 1.00 61.34 H new ATOM 0 HE3 LYS A 69 1.141 11.763 0.901 1.00 61.34 H new ATOM 0 HZ1 LYS A 69 2.862 12.768 2.187 1.00 32.03 H new ATOM 0 HZ2 LYS A 69 1.443 12.691 3.117 1.00 32.03 H new ATOM 0 HZ3 LYS A 69 2.709 11.597 3.408 1.00 32.03 H new ATOM 1054 N SER A 70 -1.814 6.748 5.743 1.00 13.14 N ATOM 1055 CA SER A 70 -2.296 5.488 6.286 1.00 42.32 C ATOM 1056 C SER A 70 -3.796 5.372 6.085 1.00 31.21 C ATOM 1057 O SER A 70 -4.243 4.381 5.514 1.00 52.32 O ATOM 1058 CB SER A 70 -1.929 5.370 7.765 1.00 72.53 C ATOM 1059 OG SER A 70 -2.053 6.611 8.431 1.00 70.31 O ATOM 0 H SER A 70 -1.459 7.383 6.458 1.00 13.14 H new ATOM 0 HA SER A 70 -1.816 4.667 5.754 1.00 42.32 H new ATOM 0 HB2 SER A 70 -2.574 4.633 8.243 1.00 72.53 H new ATOM 0 HB3 SER A 70 -0.906 5.006 7.859 1.00 72.53 H new ATOM 0 HG SER A 70 -1.378 6.671 9.139 1.00 70.31 H new ATOM 1065 N ALA A 71 -4.568 6.372 6.526 1.00 23.31 N ATOM 1066 CA ALA A 71 -6.012 6.333 6.377 1.00 51.00 C ATOM 1067 C ALA A 71 -6.401 6.254 4.903 1.00 74.13 C ATOM 1068 O ALA A 71 -7.311 5.502 4.565 1.00 13.23 O ATOM 1069 CB ALA A 71 -6.678 7.526 7.068 1.00 73.33 C ATOM 0 H ALA A 71 -4.212 7.210 6.985 1.00 23.31 H new ATOM 0 HA ALA A 71 -6.376 5.431 6.869 1.00 51.00 H new ATOM 0 HB1 ALA A 71 -7.758 7.466 6.937 1.00 73.33 H new ATOM 0 HB2 ALA A 71 -6.440 7.510 8.132 1.00 73.33 H new ATOM 0 HB3 ALA A 71 -6.310 8.453 6.628 1.00 73.33 H new ATOM 1075 N PHE A 72 -5.685 6.962 4.023 1.00 14.12 N ATOM 1076 CA PHE A 72 -5.988 6.948 2.594 1.00 23.22 C ATOM 1077 C PHE A 72 -5.804 5.524 2.061 1.00 75.21 C ATOM 1078 O PHE A 72 -6.685 4.971 1.404 1.00 14.01 O ATOM 1079 CB PHE A 72 -5.090 7.966 1.870 1.00 62.23 C ATOM 1080 CG PHE A 72 -5.537 8.362 0.469 1.00 3.15 C ATOM 1081 CD1 PHE A 72 -5.631 7.419 -0.575 1.00 62.51 C ATOM 1082 CD2 PHE A 72 -5.836 9.710 0.196 1.00 21.32 C ATOM 1083 CE1 PHE A 72 -6.044 7.815 -1.861 1.00 21.53 C ATOM 1084 CE2 PHE A 72 -6.211 10.109 -1.095 1.00 34.32 C ATOM 1085 CZ PHE A 72 -6.346 9.161 -2.121 1.00 0.05 C ATOM 0 H PHE A 72 -4.892 7.551 4.278 1.00 14.12 H new ATOM 0 HA PHE A 72 -7.022 7.241 2.413 1.00 23.22 H new ATOM 0 HB2 PHE A 72 -5.029 8.867 2.480 1.00 62.23 H new ATOM 0 HB3 PHE A 72 -4.083 7.554 1.807 1.00 62.23 H new ATOM 0 HD1 PHE A 72 -5.384 6.385 -0.386 1.00 62.51 H new ATOM 0 HD2 PHE A 72 -5.776 10.443 0.987 1.00 21.32 H new ATOM 0 HE1 PHE A 72 -6.129 7.082 -2.649 1.00 21.53 H new ATOM 0 HE2 PHE A 72 -6.397 11.153 -1.301 1.00 34.32 H new ATOM 0 HZ PHE A 72 -6.679 9.464 -3.102 1.00 0.05 H new ATOM 1095 N LEU A 73 -4.662 4.904 2.371 1.00 1.42 N ATOM 1096 CA LEU A 73 -4.304 3.568 1.895 1.00 33.14 C ATOM 1097 C LEU A 73 -5.302 2.549 2.422 1.00 21.53 C ATOM 1098 O LEU A 73 -5.842 1.734 1.676 1.00 34.52 O ATOM 1099 CB LEU A 73 -2.891 3.222 2.386 1.00 73.24 C ATOM 1100 CG LEU A 73 -2.390 1.835 1.941 1.00 14.33 C ATOM 1101 CD1 LEU A 73 -1.994 1.837 0.468 1.00 25.21 C ATOM 1102 CD2 LEU A 73 -1.195 1.407 2.794 1.00 25.44 C ATOM 0 H LEU A 73 -3.950 5.324 2.969 1.00 1.42 H new ATOM 0 HA LEU A 73 -4.325 3.548 0.805 1.00 33.14 H new ATOM 0 HB2 LEU A 73 -2.197 3.980 2.024 1.00 73.24 H new ATOM 0 HB3 LEU A 73 -2.875 3.270 3.475 1.00 73.24 H new ATOM 0 HG LEU A 73 -3.206 1.126 2.077 1.00 14.33 H new ATOM 0 HD11 LEU A 73 -1.645 0.844 0.184 1.00 25.21 H new ATOM 0 HD12 LEU A 73 -2.857 2.106 -0.141 1.00 25.21 H new ATOM 0 HD13 LEU A 73 -1.196 2.562 0.307 1.00 25.21 H new ATOM 0 HD21 LEU A 73 -0.850 0.425 2.470 1.00 25.44 H new ATOM 0 HD22 LEU A 73 -0.388 2.131 2.680 1.00 25.44 H new ATOM 0 HD23 LEU A 73 -1.494 1.359 3.841 1.00 25.44 H new ATOM 1114 N CYS A 74 -5.527 2.596 3.732 1.00 1.32 N ATOM 1115 CA CYS A 74 -6.415 1.695 4.436 1.00 12.41 C ATOM 1116 C CYS A 74 -7.875 1.891 3.979 1.00 33.14 C ATOM 1117 O CYS A 74 -8.681 0.962 4.084 1.00 31.15 O ATOM 1118 CB CYS A 74 -6.205 1.895 5.942 1.00 1.12 C ATOM 1119 SG CYS A 74 -6.709 0.429 6.881 1.00 11.24 S ATOM 0 H CYS A 74 -5.082 3.281 4.343 1.00 1.32 H new ATOM 0 HA CYS A 74 -6.183 0.656 4.201 1.00 12.41 H new ATOM 0 HB2 CYS A 74 -5.155 2.112 6.139 1.00 1.12 H new ATOM 0 HB3 CYS A 74 -6.777 2.759 6.279 1.00 1.12 H new ATOM 0 HG CYS A 74 -7.729 -0.129 6.299 1.00 11.24 H new ATOM 1125 N GLY A 75 -8.204 3.055 3.412 1.00 53.23 N ATOM 1126 CA GLY A 75 -9.455 3.354 2.737 1.00 64.32 C ATOM 1127 C GLY A 75 -9.548 2.606 1.416 1.00 71.51 C ATOM 1128 O GLY A 75 -10.511 1.859 1.225 1.00 14.44 O ATOM 0 H GLY A 75 -7.566 3.851 3.416 1.00 53.23 H new ATOM 0 HA2 GLY A 75 -10.293 3.078 3.376 1.00 64.32 H new ATOM 0 HA3 GLY A 75 -9.530 4.427 2.559 1.00 64.32 H new ATOM 1132 N VAL A 76 -8.549 2.731 0.534 1.00 73.23 N ATOM 1133 CA VAL A 76 -8.510 1.991 -0.731 1.00 34.24 C ATOM 1134 C VAL A 76 -8.617 0.493 -0.426 1.00 5.44 C ATOM 1135 O VAL A 76 -9.480 -0.181 -0.980 1.00 30.32 O ATOM 1136 CB VAL A 76 -7.256 2.356 -1.557 1.00 61.24 C ATOM 1137 CG1 VAL A 76 -7.154 1.532 -2.846 1.00 13.45 C ATOM 1138 CG2 VAL A 76 -7.258 3.847 -1.935 1.00 41.01 C ATOM 0 H VAL A 76 -7.748 3.346 0.677 1.00 73.23 H new ATOM 0 HA VAL A 76 -9.358 2.271 -1.356 1.00 34.24 H new ATOM 0 HB VAL A 76 -6.398 2.131 -0.923 1.00 61.24 H new ATOM 0 HG11 VAL A 76 -6.258 1.823 -3.394 1.00 13.45 H new ATOM 0 HG12 VAL A 76 -7.099 0.472 -2.597 1.00 13.45 H new ATOM 0 HG13 VAL A 76 -8.033 1.714 -3.465 1.00 13.45 H new ATOM 0 HG21 VAL A 76 -6.365 4.076 -2.516 1.00 41.01 H new ATOM 0 HG22 VAL A 76 -8.144 4.071 -2.529 1.00 41.01 H new ATOM 0 HG23 VAL A 76 -7.267 4.452 -1.028 1.00 41.01 H new ATOM 1148 N MET A 77 -7.829 -0.016 0.530 1.00 24.33 N ATOM 1149 CA MET A 77 -7.936 -1.386 1.034 1.00 65.12 C ATOM 1150 C MET A 77 -9.380 -1.731 1.360 1.00 21.13 C ATOM 1151 O MET A 77 -9.903 -2.710 0.835 1.00 22.24 O ATOM 1152 CB MET A 77 -7.107 -1.578 2.306 1.00 54.24 C ATOM 1153 CG MET A 77 -5.609 -1.592 2.075 1.00 45.41 C ATOM 1154 SD MET A 77 -4.709 -1.388 3.620 1.00 72.22 S ATOM 1155 CE MET A 77 -3.056 -1.660 2.997 1.00 50.31 C ATOM 0 H MET A 77 -7.089 0.523 0.980 1.00 24.33 H new ATOM 0 HA MET A 77 -7.560 -2.040 0.248 1.00 65.12 H new ATOM 0 HB2 MET A 77 -7.348 -0.779 3.007 1.00 54.24 H new ATOM 0 HB3 MET A 77 -7.399 -2.516 2.779 1.00 54.24 H new ATOM 0 HG2 MET A 77 -5.320 -2.532 1.604 1.00 45.41 H new ATOM 0 HG3 MET A 77 -5.338 -0.793 1.385 1.00 45.41 H new ATOM 0 HE1 MET A 77 -2.329 -1.335 3.741 1.00 50.31 H new ATOM 0 HE2 MET A 77 -2.915 -2.721 2.790 1.00 50.31 H new ATOM 0 HE3 MET A 77 -2.915 -1.090 2.079 1.00 50.31 H new ATOM 1165 N LYS A 78 -10.024 -0.950 2.234 1.00 1.34 N ATOM 1166 CA LYS A 78 -11.373 -1.277 2.674 1.00 45.20 C ATOM 1167 C LYS A 78 -12.289 -1.327 1.459 1.00 73.23 C ATOM 1168 O LYS A 78 -13.042 -2.278 1.318 1.00 43.31 O ATOM 1169 CB LYS A 78 -11.908 -0.304 3.735 1.00 50.03 C ATOM 1170 CG LYS A 78 -12.999 -1.006 4.572 1.00 32.42 C ATOM 1171 CD LYS A 78 -14.231 -0.134 4.802 1.00 11.02 C ATOM 1172 CE LYS A 78 -13.973 1.097 5.678 1.00 70.33 C ATOM 1173 NZ LYS A 78 -13.987 0.783 7.121 1.00 64.40 N ATOM 0 H LYS A 78 -9.635 -0.100 2.642 1.00 1.34 H new ATOM 0 HA LYS A 78 -11.345 -2.253 3.158 1.00 45.20 H new ATOM 0 HB2 LYS A 78 -11.096 0.029 4.382 1.00 50.03 H new ATOM 0 HB3 LYS A 78 -12.318 0.585 3.255 1.00 50.03 H new ATOM 0 HG2 LYS A 78 -13.300 -1.924 4.068 1.00 32.42 H new ATOM 0 HG3 LYS A 78 -12.580 -1.294 5.536 1.00 32.42 H new ATOM 0 HD2 LYS A 78 -14.615 0.195 3.836 1.00 11.02 H new ATOM 0 HD3 LYS A 78 -15.010 -0.740 5.266 1.00 11.02 H new ATOM 0 HE2 LYS A 78 -13.008 1.530 5.414 1.00 70.33 H new ATOM 0 HE3 LYS A 78 -14.730 1.853 5.467 1.00 70.33 H new ATOM 0 HZ1 LYS A 78 -13.808 1.650 7.667 1.00 64.40 H new ATOM 0 HZ2 LYS A 78 -14.916 0.395 7.383 1.00 64.40 H new ATOM 0 HZ3 LYS A 78 -13.248 0.082 7.331 1.00 64.40 H new ATOM 1187 N THR A 79 -12.169 -0.370 0.547 1.00 61.43 N ATOM 1188 CA THR A 79 -12.995 -0.329 -0.642 1.00 13.11 C ATOM 1189 C THR A 79 -12.796 -1.579 -1.514 1.00 21.34 C ATOM 1190 O THR A 79 -13.766 -2.090 -2.056 1.00 5.02 O ATOM 1191 CB THR A 79 -12.758 0.984 -1.404 1.00 70.32 C ATOM 1192 OG1 THR A 79 -12.634 2.097 -0.526 1.00 13.25 O ATOM 1193 CG2 THR A 79 -13.972 1.268 -2.282 1.00 13.25 C ATOM 0 H THR A 79 -11.497 0.395 0.615 1.00 61.43 H new ATOM 0 HA THR A 79 -14.043 -0.345 -0.345 1.00 13.11 H new ATOM 0 HB THR A 79 -11.838 0.863 -1.976 1.00 70.32 H new ATOM 0 HG1 THR A 79 -11.785 2.038 -0.041 1.00 13.25 H new ATOM 0 HG21 THR A 79 -13.816 2.198 -2.829 1.00 13.25 H new ATOM 0 HG22 THR A 79 -14.109 0.450 -2.989 1.00 13.25 H new ATOM 0 HG23 THR A 79 -14.860 1.359 -1.657 1.00 13.25 H new ATOM 1201 N TYR A 80 -11.590 -2.147 -1.604 1.00 64.44 N ATOM 1202 CA TYR A 80 -11.387 -3.391 -2.347 1.00 72.20 C ATOM 1203 C TYR A 80 -12.106 -4.582 -1.712 1.00 65.11 C ATOM 1204 O TYR A 80 -12.668 -5.409 -2.432 1.00 31.33 O ATOM 1205 CB TYR A 80 -9.895 -3.705 -2.485 1.00 71.24 C ATOM 1206 CG TYR A 80 -9.340 -3.154 -3.771 1.00 32.22 C ATOM 1207 CD1 TYR A 80 -9.583 -3.843 -4.971 1.00 21.51 C ATOM 1208 CD2 TYR A 80 -8.657 -1.929 -3.781 1.00 23.34 C ATOM 1209 CE1 TYR A 80 -9.122 -3.325 -6.186 1.00 5.43 C ATOM 1210 CE2 TYR A 80 -8.190 -1.402 -4.995 1.00 31.42 C ATOM 1211 CZ TYR A 80 -8.427 -2.098 -6.206 1.00 12.41 C ATOM 1212 OH TYR A 80 -7.995 -1.601 -7.394 1.00 34.32 O ATOM 0 H TYR A 80 -10.746 -1.768 -1.175 1.00 64.44 H new ATOM 0 HA TYR A 80 -11.821 -3.233 -3.334 1.00 72.20 H new ATOM 0 HB2 TYR A 80 -9.352 -3.281 -1.640 1.00 71.24 H new ATOM 0 HB3 TYR A 80 -9.743 -4.784 -2.453 1.00 71.24 H new ATOM 0 HD1 TYR A 80 -10.127 -4.776 -4.955 1.00 21.51 H new ATOM 0 HD2 TYR A 80 -8.491 -1.393 -2.858 1.00 23.34 H new ATOM 0 HE1 TYR A 80 -9.298 -3.863 -7.106 1.00 5.43 H new ATOM 0 HE2 TYR A 80 -7.650 -0.467 -5.006 1.00 31.42 H new ATOM 0 HH TYR A 80 -8.550 -0.834 -7.649 1.00 34.32 H new ATOM 1222 N ARG A 81 -12.057 -4.712 -0.379 1.00 44.13 N ATOM 1223 CA ARG A 81 -12.739 -5.799 0.316 1.00 2.33 C ATOM 1224 C ARG A 81 -14.241 -5.551 0.493 1.00 24.51 C ATOM 1225 O ARG A 81 -14.949 -6.487 0.852 1.00 3.34 O ATOM 1226 CB ARG A 81 -12.039 -6.155 1.633 1.00 65.10 C ATOM 1227 CG ARG A 81 -12.031 -4.961 2.570 1.00 2.12 C ATOM 1228 CD ARG A 81 -11.840 -5.235 4.059 1.00 63.23 C ATOM 1229 NE ARG A 81 -10.557 -5.875 4.396 1.00 72.14 N ATOM 1230 CZ ARG A 81 -10.179 -6.161 5.647 1.00 23.53 C ATOM 1231 NH1 ARG A 81 -10.827 -5.629 6.671 1.00 52.43 N ATOM 1232 NH2 ARG A 81 -9.153 -6.977 5.863 1.00 52.11 N ATOM 0 H ARG A 81 -11.550 -4.074 0.235 1.00 44.13 H new ATOM 0 HA ARG A 81 -12.666 -6.674 -0.330 1.00 2.33 H new ATOM 0 HB2 ARG A 81 -12.549 -6.994 2.107 1.00 65.10 H new ATOM 0 HB3 ARG A 81 -11.016 -6.475 1.433 1.00 65.10 H new ATOM 0 HG2 ARG A 81 -11.238 -4.286 2.248 1.00 2.12 H new ATOM 0 HG3 ARG A 81 -12.974 -4.428 2.444 1.00 2.12 H new ATOM 0 HD2 ARG A 81 -11.917 -4.294 4.603 1.00 63.23 H new ATOM 0 HD3 ARG A 81 -12.653 -5.872 4.407 1.00 63.23 H new ATOM 0 HE ARG A 81 -9.922 -6.113 3.634 1.00 72.14 H new ATOM 0 HH11 ARG A 81 -11.614 -5.001 6.506 1.00 52.43 H new ATOM 0 HH12 ARG A 81 -10.539 -5.847 7.625 1.00 52.43 H new ATOM 0 HH21 ARG A 81 -8.652 -7.386 5.074 1.00 52.11 H new ATOM 0 HH22 ARG A 81 -8.866 -7.194 6.817 1.00 52.11 H new ATOM 1246 N GLN A 82 -14.711 -4.316 0.321 1.00 61.33 N ATOM 1247 CA GLN A 82 -16.069 -3.868 0.561 1.00 23.23 C ATOM 1248 C GLN A 82 -16.415 -2.856 -0.533 1.00 64.23 C ATOM 1249 O GLN A 82 -16.159 -1.655 -0.389 1.00 71.11 O ATOM 1250 CB GLN A 82 -16.192 -3.291 1.989 1.00 45.31 C ATOM 1251 CG GLN A 82 -16.680 -4.328 3.017 1.00 61.13 C ATOM 1252 CD GLN A 82 -18.132 -4.742 2.769 1.00 30.53 C ATOM 1253 OE1 GLN A 82 -18.936 -3.975 2.248 1.00 10.21 O ATOM 1254 NE2 GLN A 82 -18.529 -5.955 3.098 1.00 24.52 N ATOM 0 H GLN A 82 -14.111 -3.560 -0.010 1.00 61.33 H new ATOM 0 HA GLN A 82 -16.783 -4.690 0.512 1.00 23.23 H new ATOM 0 HB2 GLN A 82 -15.223 -2.904 2.303 1.00 45.31 H new ATOM 0 HB3 GLN A 82 -16.883 -2.448 1.976 1.00 45.31 H new ATOM 0 HG2 GLN A 82 -16.040 -5.209 2.975 1.00 61.13 H new ATOM 0 HG3 GLN A 82 -16.587 -3.914 4.021 1.00 61.13 H new ATOM 0 HE21 GLN A 82 -17.874 -6.606 3.532 1.00 24.52 H new ATOM 0 HE22 GLN A 82 -19.491 -6.243 2.919 1.00 24.52 H new