USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 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 36 HIS : no HE2:sc= -3.37! C(o=-6.9!,f=-12!) USER MOD Set 1.2: A 60 TYR OH : rot 166:sc= -3.5! USER MOD Single : A 13 LYS NZ :NH3+ 143:sc= -0.117 (180deg=-0.922) USER MOD Single : A 14 SER OG : rot -38:sc= -0.0464! USER MOD Single : A 17 CYS SG : rot -93:sc= -0.0786 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 23 MET CE :methyl -167:sc= -0.0247 (180deg=-0.319) USER MOD Single : A 28 MET CE :methyl 159:sc= -0.142 (180deg=-0.816) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0042 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 42 GLN :FLIP amide:sc= 0.736 F(o=-4.5!,f=0.74) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= -0.317! (180deg=-1.05) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.0547 (180deg=-0.649) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc=-0.00927 (180deg=-0.258) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 155:sc= -0.205 (180deg=-1.06) USER MOD Single : A 64 SER OG : rot -37:sc= 0.856 USER MOD Single : A 65 MET CE :methyl -163:sc= 0 (180deg=-0.538) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.262 (180deg=-0.926) USER MOD Single : A 72 GLN :FLIP amide:sc= -4.17! C(o=-5.6!,f=-4.2!) USER MOD Single : A 76 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 80 SER OG : rot -30:sc= -0.721 USER MOD Single : A 81 THR OG1 : rot -69:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 10.154 0.212 -7.908 1.00 0.00 N ATOM 2 CA LYS A 13 9.081 0.710 -8.811 1.00 0.00 C ATOM 3 C LYS A 13 7.793 -0.077 -8.558 1.00 0.00 C ATOM 4 O LYS A 13 7.103 -0.472 -9.476 1.00 0.00 O ATOM 5 CB LYS A 13 9.520 0.535 -10.268 1.00 0.00 C ATOM 6 CG LYS A 13 9.901 -0.925 -10.518 1.00 0.00 C ATOM 7 CD LYS A 13 10.351 -1.092 -11.971 1.00 0.00 C ATOM 8 CE LYS A 13 10.637 -2.568 -12.250 1.00 0.00 C ATOM 9 NZ LYS A 13 9.412 -3.373 -11.976 1.00 0.00 N ATOM 0 HA LYS A 13 8.899 1.767 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.714 0.831 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.368 1.185 -10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.701 -1.224 -9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.050 -1.575 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.578 -0.726 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.244 -0.496 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.947 -2.700 -13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.460 -2.914 -11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.337 -4.140 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.470 -3.779 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.573 -2.762 -12.042 1.00 0.00 H new ATOM 23 N SER A 14 7.467 -0.308 -7.315 1.00 0.00 N ATOM 24 CA SER A 14 6.224 -1.067 -6.995 1.00 0.00 C ATOM 25 C SER A 14 5.811 -0.780 -5.551 1.00 0.00 C ATOM 26 O SER A 14 6.608 -0.337 -4.749 1.00 0.00 O ATOM 27 CB SER A 14 6.479 -2.569 -7.164 1.00 0.00 C ATOM 28 OG SER A 14 7.282 -2.782 -8.316 1.00 0.00 O ATOM 0 H SER A 14 8.009 -0.003 -6.506 1.00 0.00 H new ATOM 0 HA SER A 14 5.427 -0.758 -7.671 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.978 -2.967 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.533 -3.101 -7.262 1.00 0.00 H new ATOM 0 HG SER A 14 7.012 -2.159 -9.023 1.00 0.00 H new ATOM 34 N ILE A 15 4.573 -1.043 -5.212 1.00 0.00 N ATOM 35 CA ILE A 15 4.096 -0.807 -3.814 1.00 0.00 C ATOM 36 C ILE A 15 3.373 -2.057 -3.307 1.00 0.00 C ATOM 37 O ILE A 15 2.496 -2.591 -3.958 1.00 0.00 O ATOM 38 CB ILE A 15 3.137 0.387 -3.781 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.906 1.664 -4.133 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.538 0.522 -2.379 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.921 2.815 -4.346 1.00 0.00 C ATOM 0 H ILE A 15 3.867 -1.414 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 15 4.953 -0.593 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 15 2.336 0.232 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.604 1.912 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.498 1.507 -5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.856 1.372 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.994 -0.388 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.338 0.679 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.470 3.722 -4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.241 2.566 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.349 2.978 -3.433 1.00 0.00 H new ATOM 53 N TRP A 16 3.734 -2.520 -2.141 1.00 0.00 N ATOM 54 CA TRP A 16 3.078 -3.730 -1.561 1.00 0.00 C ATOM 55 C TRP A 16 2.890 -3.490 -0.062 1.00 0.00 C ATOM 56 O TRP A 16 3.775 -2.989 0.603 1.00 0.00 O ATOM 57 CB TRP A 16 3.978 -4.949 -1.785 1.00 0.00 C ATOM 58 CG TRP A 16 4.224 -5.123 -3.252 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.127 -4.418 -3.974 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.587 -6.046 -4.185 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.081 -4.847 -5.288 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.150 -5.848 -5.469 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.585 -7.025 -4.045 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.734 -6.594 -6.573 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.167 -7.777 -5.154 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.740 -7.563 -6.415 1.00 0.00 C ATOM 0 H TRP A 16 4.463 -2.108 -1.559 1.00 0.00 H new ATOM 0 HA TRP A 16 2.114 -3.913 -2.036 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.924 -4.818 -1.260 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.507 -5.843 -1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.777 -3.647 -3.587 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.665 -4.469 -6.033 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.135 -7.198 -3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.178 -6.423 -7.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.398 -8.526 -5.035 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.414 -8.146 -7.263 1.00 0.00 H new ATOM 77 N CYS A 17 1.736 -3.812 0.475 1.00 0.00 N ATOM 78 CA CYS A 17 1.482 -3.567 1.934 1.00 0.00 C ATOM 79 C CYS A 17 0.859 -4.796 2.602 1.00 0.00 C ATOM 80 O CYS A 17 0.049 -5.494 2.026 1.00 0.00 O ATOM 81 CB CYS A 17 0.527 -2.383 2.071 1.00 0.00 C ATOM 82 SG CYS A 17 1.345 -0.880 1.481 1.00 0.00 S ATOM 0 H CYS A 17 0.959 -4.234 -0.033 1.00 0.00 H new ATOM 0 HA CYS A 17 2.432 -3.357 2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.381 -2.566 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.227 -2.262 3.112 1.00 0.00 H new ATOM 0 HG CYS A 17 1.917 -0.276 2.480 1.00 0.00 H new ATOM 88 N SER A 18 1.228 -5.045 3.830 1.00 0.00 N ATOM 89 CA SER A 18 0.665 -6.204 4.581 1.00 0.00 C ATOM 90 C SER A 18 -0.774 -5.871 5.010 1.00 0.00 C ATOM 91 O SER A 18 -1.164 -4.722 5.044 1.00 0.00 O ATOM 92 CB SER A 18 1.549 -6.467 5.814 1.00 0.00 C ATOM 93 OG SER A 18 2.368 -7.601 5.566 1.00 0.00 O ATOM 0 H SER A 18 1.904 -4.487 4.351 1.00 0.00 H new ATOM 0 HA SER A 18 0.648 -7.097 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.168 -5.595 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.927 -6.637 6.693 1.00 0.00 H new ATOM 0 HG SER A 18 2.935 -7.772 6.347 1.00 0.00 H new ATOM 99 N PRO A 19 -1.553 -6.870 5.338 1.00 0.00 N ATOM 100 CA PRO A 19 -2.968 -6.672 5.774 1.00 0.00 C ATOM 101 C PRO A 19 -3.070 -5.731 6.984 1.00 0.00 C ATOM 102 O PRO A 19 -4.025 -4.993 7.127 1.00 0.00 O ATOM 103 CB PRO A 19 -3.462 -8.095 6.122 1.00 0.00 C ATOM 104 CG PRO A 19 -2.223 -8.931 6.249 1.00 0.00 C ATOM 105 CD PRO A 19 -1.180 -8.292 5.333 1.00 0.00 C ATOM 0 HA PRO A 19 -3.571 -6.199 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.033 -8.096 7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.119 -8.483 5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.873 -8.953 7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.418 -9.963 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.168 -8.444 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.214 -8.714 4.328 1.00 0.00 H new ATOM 113 N GLN A 20 -2.096 -5.747 7.852 1.00 0.00 N ATOM 114 CA GLN A 20 -2.150 -4.851 9.040 1.00 0.00 C ATOM 115 C GLN A 20 -2.214 -3.399 8.580 1.00 0.00 C ATOM 116 O GLN A 20 -3.038 -2.627 9.034 1.00 0.00 O ATOM 117 CB GLN A 20 -0.893 -5.061 9.881 1.00 0.00 C ATOM 118 CG GLN A 20 -0.954 -6.430 10.556 1.00 0.00 C ATOM 119 CD GLN A 20 0.328 -6.657 11.355 1.00 0.00 C ATOM 120 OE1 GLN A 20 0.835 -5.749 11.982 1.00 0.00 O ATOM 121 NE2 GLN A 20 0.876 -7.841 11.364 1.00 0.00 N ATOM 0 H GLN A 20 -1.268 -6.340 7.790 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.034 -5.082 9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.006 -4.994 9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.811 -4.276 10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.821 -6.485 11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.072 -7.213 9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.450 -8.604 10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.730 -8.004 11.898 1.00 0.00 H new ATOM 130 N GLU A 21 -1.367 -3.021 7.671 1.00 0.00 N ATOM 131 CA GLU A 21 -1.397 -1.622 7.177 1.00 0.00 C ATOM 132 C GLU A 21 -2.770 -1.354 6.567 1.00 0.00 C ATOM 133 O GLU A 21 -3.343 -0.297 6.739 1.00 0.00 O ATOM 134 CB GLU A 21 -0.304 -1.429 6.127 1.00 0.00 C ATOM 135 CG GLU A 21 1.062 -1.476 6.817 1.00 0.00 C ATOM 136 CD GLU A 21 2.174 -1.325 5.778 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.854 -1.163 4.612 1.00 0.00 O ATOM 138 OE2 GLU A 21 3.330 -1.378 6.166 1.00 0.00 O ATOM 0 H GLU A 21 -0.656 -3.619 7.249 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.219 -0.926 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.369 -2.208 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.436 -0.475 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.133 -0.679 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.177 -2.419 7.352 1.00 0.00 H new ATOM 145 N ILE A 22 -3.302 -2.311 5.857 1.00 0.00 N ATOM 146 CA ILE A 22 -4.642 -2.120 5.236 1.00 0.00 C ATOM 147 C ILE A 22 -5.725 -2.037 6.320 1.00 0.00 C ATOM 148 O ILE A 22 -6.555 -1.151 6.298 1.00 0.00 O ATOM 149 CB ILE A 22 -4.950 -3.286 4.291 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.942 -3.272 3.134 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.378 -3.137 3.747 1.00 0.00 C ATOM 152 CD1 ILE A 22 -4.132 -4.515 2.260 1.00 0.00 C ATOM 0 H ILE A 22 -2.866 -3.216 5.681 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.634 -1.188 4.671 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.871 -4.232 4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.076 -2.372 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.925 -3.245 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.599 -3.966 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.086 -3.144 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.464 -2.196 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.413 -4.497 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.975 -5.410 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.144 -4.523 1.854 1.00 0.00 H new ATOM 164 N MET A 23 -5.754 -2.956 7.255 1.00 0.00 N ATOM 165 CA MET A 23 -6.817 -2.911 8.302 1.00 0.00 C ATOM 166 C MET A 23 -6.861 -1.530 8.956 1.00 0.00 C ATOM 167 O MET A 23 -7.867 -1.135 9.512 1.00 0.00 O ATOM 168 CB MET A 23 -6.546 -3.970 9.383 1.00 0.00 C ATOM 169 CG MET A 23 -6.798 -5.383 8.835 1.00 0.00 C ATOM 170 SD MET A 23 -7.103 -6.519 10.212 1.00 0.00 S ATOM 171 CE MET A 23 -5.463 -6.433 10.971 1.00 0.00 C ATOM 0 H MET A 23 -5.093 -3.728 7.337 1.00 0.00 H new ATOM 0 HA MET A 23 -7.775 -3.116 7.823 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.516 -3.887 9.730 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.188 -3.789 10.245 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.653 -5.375 8.160 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.938 -5.719 8.256 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.359 -7.234 11.703 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.699 -6.544 10.201 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.342 -5.470 11.467 1.00 0.00 H new ATOM 181 N ALA A 24 -5.793 -0.783 8.902 1.00 0.00 N ATOM 182 CA ALA A 24 -5.816 0.569 9.529 1.00 0.00 C ATOM 183 C ALA A 24 -6.517 1.547 8.584 1.00 0.00 C ATOM 184 O ALA A 24 -6.824 2.665 8.948 1.00 0.00 O ATOM 185 CB ALA A 24 -4.381 1.037 9.785 1.00 0.00 C ATOM 0 H ALA A 24 -4.914 -1.046 8.456 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.354 0.528 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.397 2.026 10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.883 0.335 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.840 1.084 8.840 1.00 0.00 H new ATOM 191 N ALA A 25 -6.780 1.133 7.371 1.00 0.00 N ATOM 192 CA ALA A 25 -7.469 2.036 6.404 1.00 0.00 C ATOM 193 C ALA A 25 -8.978 1.972 6.642 1.00 0.00 C ATOM 194 O ALA A 25 -9.561 0.909 6.694 1.00 0.00 O ATOM 195 CB ALA A 25 -7.162 1.589 4.972 1.00 0.00 C ATOM 0 H ALA A 25 -6.547 0.208 7.009 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.116 3.057 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.667 2.251 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.086 1.630 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.514 0.568 4.826 1.00 0.00 H new ATOM 201 N ASP A 26 -9.615 3.100 6.780 1.00 0.00 N ATOM 202 CA ASP A 26 -11.087 3.100 7.007 1.00 0.00 C ATOM 203 C ASP A 26 -11.787 2.468 5.801 1.00 0.00 C ATOM 204 O ASP A 26 -12.885 1.957 5.904 1.00 0.00 O ATOM 205 CB ASP A 26 -11.569 4.541 7.182 1.00 0.00 C ATOM 206 CG ASP A 26 -11.274 5.336 5.909 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.457 4.880 5.127 1.00 0.00 O ATOM 208 OD2 ASP A 26 -11.870 6.387 5.739 1.00 0.00 O ATOM 0 H ASP A 26 -9.181 4.022 6.746 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.321 2.526 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.638 4.555 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.070 5.001 8.035 1.00 0.00 H new ATOM 213 N GLY A 27 -11.158 2.508 4.659 1.00 0.00 N ATOM 214 CA GLY A 27 -11.775 1.920 3.434 1.00 0.00 C ATOM 215 C GLY A 27 -11.884 0.399 3.573 1.00 0.00 C ATOM 216 O GLY A 27 -12.782 -0.215 3.030 1.00 0.00 O ATOM 0 H GLY A 27 -10.238 2.925 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.764 2.349 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.174 2.170 2.560 1.00 0.00 H new ATOM 220 N MET A 28 -10.976 -0.213 4.295 1.00 0.00 N ATOM 221 CA MET A 28 -11.013 -1.703 4.478 1.00 0.00 C ATOM 222 C MET A 28 -11.127 -2.026 5.971 1.00 0.00 C ATOM 223 O MET A 28 -10.152 -2.362 6.613 1.00 0.00 O ATOM 224 CB MET A 28 -9.717 -2.315 3.937 1.00 0.00 C ATOM 225 CG MET A 28 -9.502 -1.893 2.481 1.00 0.00 C ATOM 226 SD MET A 28 -8.701 -0.276 2.436 1.00 0.00 S ATOM 227 CE MET A 28 -7.997 -0.444 0.781 1.00 0.00 C ATOM 0 H MET A 28 -10.205 0.257 4.769 1.00 0.00 H new ATOM 0 HA MET A 28 -11.868 -2.113 3.941 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.872 -1.993 4.545 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.763 -3.402 4.006 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.887 -2.630 1.964 1.00 0.00 H new ATOM 0 HG3 MET A 28 -10.457 -1.852 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.774 0.544 0.378 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.079 -1.030 0.834 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.712 -0.948 0.131 1.00 0.00 H new ATOM 237 N PRO A 29 -12.309 -1.919 6.523 1.00 0.00 N ATOM 238 CA PRO A 29 -12.553 -2.196 7.967 1.00 0.00 C ATOM 239 C PRO A 29 -12.746 -3.685 8.253 1.00 0.00 C ATOM 240 O PRO A 29 -12.886 -4.491 7.355 1.00 0.00 O ATOM 241 CB PRO A 29 -13.846 -1.435 8.244 1.00 0.00 C ATOM 242 CG PRO A 29 -14.604 -1.528 6.959 1.00 0.00 C ATOM 243 CD PRO A 29 -13.554 -1.519 5.837 1.00 0.00 C ATOM 0 HA PRO A 29 -11.711 -1.895 8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.402 -1.881 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.648 -0.398 8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.201 -2.439 6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.294 -0.691 6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.814 -2.215 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.462 -0.533 5.382 1.00 0.00 H new ATOM 251 N GLY A 30 -12.743 -4.055 9.505 1.00 0.00 N ATOM 252 CA GLY A 30 -12.913 -5.489 9.868 1.00 0.00 C ATOM 253 C GLY A 30 -11.533 -6.100 10.065 1.00 0.00 C ATOM 254 O GLY A 30 -10.531 -5.503 9.725 1.00 0.00 O ATOM 0 H GLY A 30 -12.629 -3.421 10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.503 -5.582 10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.454 -6.018 9.083 1.00 0.00 H new ATOM 258 N SER A 31 -11.459 -7.270 10.622 1.00 0.00 N ATOM 259 CA SER A 31 -10.131 -7.895 10.853 1.00 0.00 C ATOM 260 C SER A 31 -9.535 -8.329 9.518 1.00 0.00 C ATOM 261 O SER A 31 -10.037 -7.998 8.462 1.00 0.00 O ATOM 262 CB SER A 31 -10.302 -9.121 11.749 1.00 0.00 C ATOM 263 OG SER A 31 -11.308 -9.961 11.201 1.00 0.00 O ATOM 0 H SER A 31 -12.260 -7.822 10.928 1.00 0.00 H new ATOM 0 HA SER A 31 -9.467 -7.176 11.333 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.360 -9.664 11.827 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.577 -8.814 12.758 1.00 0.00 H new ATOM 0 HG SER A 31 -11.421 -10.750 11.771 1.00 0.00 H new ATOM 269 N VAL A 32 -8.448 -9.043 9.557 1.00 0.00 N ATOM 270 CA VAL A 32 -7.796 -9.470 8.294 1.00 0.00 C ATOM 271 C VAL A 32 -8.791 -10.275 7.446 1.00 0.00 C ATOM 272 O VAL A 32 -8.909 -10.059 6.257 1.00 0.00 O ATOM 273 CB VAL A 32 -6.571 -10.320 8.639 1.00 0.00 C ATOM 274 CG1 VAL A 32 -5.843 -10.722 7.360 1.00 0.00 C ATOM 275 CG2 VAL A 32 -5.630 -9.500 9.524 1.00 0.00 C ATOM 0 H VAL A 32 -7.983 -9.349 10.411 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.481 -8.600 7.718 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.888 -11.220 9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.972 -11.327 7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.515 -11.300 6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.521 -9.827 6.828 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.754 -10.098 9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.317 -8.603 8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.148 -9.214 10.439 1.00 0.00 H new ATOM 285 N ALA A 33 -9.508 -11.194 8.032 1.00 0.00 N ATOM 286 CA ALA A 33 -10.486 -11.991 7.231 1.00 0.00 C ATOM 287 C ALA A 33 -11.529 -11.060 6.598 1.00 0.00 C ATOM 288 O ALA A 33 -11.912 -11.232 5.457 1.00 0.00 O ATOM 289 CB ALA A 33 -11.197 -12.990 8.151 1.00 0.00 C ATOM 0 H ALA A 33 -9.462 -11.428 9.024 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.953 -12.523 6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.912 -13.574 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.462 -13.658 8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.724 -12.449 8.937 1.00 0.00 H new ATOM 295 N GLY A 34 -11.994 -10.073 7.322 1.00 0.00 N ATOM 296 CA GLY A 34 -13.009 -9.143 6.741 1.00 0.00 C ATOM 297 C GLY A 34 -12.410 -8.466 5.508 1.00 0.00 C ATOM 298 O GLY A 34 -13.055 -8.313 4.487 1.00 0.00 O ATOM 0 H GLY A 34 -11.717 -9.872 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.911 -9.691 6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.300 -8.395 7.478 1.00 0.00 H new ATOM 302 N VAL A 35 -11.167 -8.081 5.591 1.00 0.00 N ATOM 303 CA VAL A 35 -10.500 -7.438 4.427 1.00 0.00 C ATOM 304 C VAL A 35 -10.506 -8.432 3.264 1.00 0.00 C ATOM 305 O VAL A 35 -10.712 -8.078 2.123 1.00 0.00 O ATOM 306 CB VAL A 35 -9.053 -7.084 4.800 1.00 0.00 C ATOM 307 CG1 VAL A 35 -8.274 -6.674 3.545 1.00 0.00 C ATOM 308 CG2 VAL A 35 -9.051 -5.927 5.810 1.00 0.00 C ATOM 0 H VAL A 35 -10.582 -8.185 6.420 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.025 -6.526 4.143 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.575 -7.956 5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.249 -6.425 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.269 -7.500 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.749 -5.806 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.024 -5.676 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.534 -5.056 5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.594 -6.226 6.707 1.00 0.00 H new ATOM 318 N HIS A 36 -10.271 -9.676 3.557 1.00 0.00 N ATOM 319 CA HIS A 36 -10.254 -10.713 2.491 1.00 0.00 C ATOM 320 C HIS A 36 -11.670 -10.933 1.953 1.00 0.00 C ATOM 321 O HIS A 36 -11.857 -11.324 0.820 1.00 0.00 O ATOM 322 CB HIS A 36 -9.745 -12.026 3.086 1.00 0.00 C ATOM 323 CG HIS A 36 -8.263 -11.944 3.312 1.00 0.00 C ATOM 324 ND1 HIS A 36 -7.686 -11.006 4.152 1.00 0.00 N ATOM 325 CD2 HIS A 36 -7.229 -12.687 2.812 1.00 0.00 C ATOM 326 CE1 HIS A 36 -6.356 -11.210 4.127 1.00 0.00 C ATOM 327 NE2 HIS A 36 -6.024 -12.224 3.327 1.00 0.00 N ATOM 0 H HIS A 36 -10.088 -10.024 4.498 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.605 -10.385 1.679 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.254 -12.230 4.028 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.974 -12.853 2.414 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -8.178 -10.293 4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.333 -13.510 2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.643 -10.623 4.687 1.00 0.00 H new ATOM 335 N TYR A 37 -12.667 -10.711 2.762 1.00 0.00 N ATOM 336 CA TYR A 37 -14.065 -10.939 2.299 1.00 0.00 C ATOM 337 C TYR A 37 -14.388 -10.052 1.092 1.00 0.00 C ATOM 338 O TYR A 37 -14.855 -10.531 0.079 1.00 0.00 O ATOM 339 CB TYR A 37 -15.024 -10.621 3.447 1.00 0.00 C ATOM 340 CG TYR A 37 -16.451 -10.831 3.001 1.00 0.00 C ATOM 341 CD1 TYR A 37 -17.035 -12.100 3.097 1.00 0.00 C ATOM 342 CD2 TYR A 37 -17.195 -9.753 2.506 1.00 0.00 C ATOM 343 CE1 TYR A 37 -18.363 -12.290 2.697 1.00 0.00 C ATOM 344 CE2 TYR A 37 -18.522 -9.944 2.104 1.00 0.00 C ATOM 345 CZ TYR A 37 -19.106 -11.213 2.199 1.00 0.00 C ATOM 346 OH TYR A 37 -20.415 -11.400 1.805 1.00 0.00 O ATOM 0 H TYR A 37 -12.575 -10.382 3.723 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.176 -11.980 1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.804 -11.259 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.884 -9.591 3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.461 -12.931 3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.745 -8.774 2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.815 -13.268 2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.095 -9.113 1.721 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.785 -10.551 1.486 1.00 0.00 H new ATOM 356 N ARG A 38 -14.145 -8.773 1.171 1.00 0.00 N ATOM 357 CA ARG A 38 -14.448 -7.907 -0.008 1.00 0.00 C ATOM 358 C ARG A 38 -13.451 -8.200 -1.133 1.00 0.00 C ATOM 359 O ARG A 38 -13.806 -8.266 -2.293 1.00 0.00 O ATOM 360 CB ARG A 38 -14.365 -6.433 0.391 1.00 0.00 C ATOM 361 CG ARG A 38 -12.930 -6.085 0.774 1.00 0.00 C ATOM 362 CD ARG A 38 -12.908 -4.727 1.476 1.00 0.00 C ATOM 363 NE ARG A 38 -13.336 -3.663 0.526 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.726 -2.506 0.982 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.786 -2.303 2.268 1.00 0.00 N ATOM 366 NH2 ARG A 38 -14.068 -1.558 0.154 1.00 0.00 N ATOM 0 H ARG A 38 -13.757 -8.295 1.984 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.458 -8.121 -0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.694 -5.803 -0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -15.034 -6.235 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.520 -6.853 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.301 -6.057 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.571 -4.743 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.905 -4.515 1.847 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.324 -3.839 -0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.528 -3.049 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.091 -1.399 2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.030 -1.722 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.373 -0.653 0.513 1.00 0.00 H new ATOM 380 N ALA A 39 -12.201 -8.368 -0.795 1.00 0.00 N ATOM 381 CA ALA A 39 -11.167 -8.646 -1.834 1.00 0.00 C ATOM 382 C ALA A 39 -11.336 -10.068 -2.374 1.00 0.00 C ATOM 383 O ALA A 39 -10.640 -10.485 -3.279 1.00 0.00 O ATOM 384 CB ALA A 39 -9.774 -8.497 -1.216 1.00 0.00 C ATOM 0 H ALA A 39 -11.849 -8.324 0.162 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.284 -7.938 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.016 -8.700 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.649 -7.481 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.663 -9.204 -0.394 1.00 0.00 H new ATOM 390 N ASN A 40 -12.265 -10.809 -1.837 1.00 0.00 N ATOM 391 CA ASN A 40 -12.489 -12.196 -2.334 1.00 0.00 C ATOM 392 C ASN A 40 -13.203 -12.137 -3.686 1.00 0.00 C ATOM 393 O ASN A 40 -12.880 -12.860 -4.608 1.00 0.00 O ATOM 394 CB ASN A 40 -13.359 -12.964 -1.335 1.00 0.00 C ATOM 395 CG ASN A 40 -13.682 -14.351 -1.888 1.00 0.00 C ATOM 396 OD1 ASN A 40 -12.817 -14.955 -2.655 1.00 0.00 O flip ATOM 397 ND2 ASN A 40 -14.738 -14.891 -1.622 1.00 0.00 N flip ATOM 0 H ASN A 40 -12.878 -10.515 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.530 -12.703 -2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.839 -13.055 -0.381 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.281 -12.415 -1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.415 -14.420 -1.022 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.947 -15.816 -1.998 1.00 0.00 H new ATOM 404 N VAL A 41 -14.184 -11.283 -3.799 1.00 0.00 N ATOM 405 CA VAL A 41 -14.939 -11.173 -5.079 1.00 0.00 C ATOM 406 C VAL A 41 -14.047 -10.546 -6.155 1.00 0.00 C ATOM 407 O VAL A 41 -13.997 -11.005 -7.278 1.00 0.00 O ATOM 408 CB VAL A 41 -16.175 -10.295 -4.870 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.884 -10.079 -6.211 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.129 -10.978 -3.886 1.00 0.00 C ATOM 0 H VAL A 41 -14.495 -10.655 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.247 -12.168 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.870 -9.330 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.764 -9.454 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.204 -9.588 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.189 -11.042 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.009 -10.352 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.435 -11.944 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.623 -11.125 -2.932 1.00 0.00 H new ATOM 420 N GLN A 42 -13.342 -9.497 -5.822 1.00 0.00 N ATOM 421 CA GLN A 42 -12.456 -8.841 -6.826 1.00 0.00 C ATOM 422 C GLN A 42 -11.145 -9.623 -6.956 1.00 0.00 C ATOM 423 O GLN A 42 -10.762 -10.365 -6.072 1.00 0.00 O ATOM 424 CB GLN A 42 -12.169 -7.402 -6.390 1.00 0.00 C ATOM 425 CG GLN A 42 -13.433 -6.554 -6.575 1.00 0.00 C ATOM 426 CD GLN A 42 -13.157 -5.114 -6.142 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.058 -4.841 -5.496 1.00 0.00 O flip ATOM 428 NE2 GLN A 42 -13.949 -4.228 -6.395 1.00 0.00 N flip ATOM 0 H GLN A 42 -13.342 -9.066 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.954 -8.830 -7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.853 -7.382 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.350 -6.988 -6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.748 -6.576 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.251 -6.970 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.809 -4.442 -6.900 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.754 -3.271 -6.102 1.00 0.00 H new ATOM 437 N GLY A 43 -10.457 -9.466 -8.057 1.00 0.00 N ATOM 438 CA GLY A 43 -9.171 -10.198 -8.265 1.00 0.00 C ATOM 439 C GLY A 43 -8.005 -9.328 -7.796 1.00 0.00 C ATOM 440 O GLY A 43 -7.208 -8.859 -8.584 1.00 0.00 O ATOM 0 H GLY A 43 -10.733 -8.857 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.182 -11.138 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.050 -10.449 -9.319 1.00 0.00 H new ATOM 444 N TRP A 44 -7.906 -9.105 -6.517 1.00 0.00 N ATOM 445 CA TRP A 44 -6.796 -8.260 -5.984 1.00 0.00 C ATOM 446 C TRP A 44 -5.443 -8.903 -6.297 1.00 0.00 C ATOM 447 O TRP A 44 -5.301 -10.108 -6.309 1.00 0.00 O ATOM 448 CB TRP A 44 -6.908 -8.143 -4.458 1.00 0.00 C ATOM 449 CG TRP A 44 -7.947 -7.148 -4.072 1.00 0.00 C ATOM 450 CD1 TRP A 44 -9.077 -6.876 -4.763 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.946 -6.263 -2.919 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.786 -5.900 -4.084 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.124 -5.486 -2.944 1.00 0.00 C ATOM 454 CE3 TRP A 44 -7.043 -6.069 -1.856 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.400 -4.549 -1.948 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.315 -5.127 -0.856 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.492 -4.367 -0.900 1.00 0.00 C ATOM 0 H TRP A 44 -8.547 -9.471 -5.813 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.869 -7.278 -6.451 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.155 -9.116 -4.033 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.945 -7.848 -4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.376 -7.342 -5.690 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.687 -5.531 -4.388 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.134 -6.651 -1.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.309 -3.968 -1.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.614 -4.985 -0.047 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.697 -3.642 -0.126 1.00 0.00 H new ATOM 468 N THR A 45 -4.437 -8.098 -6.503 1.00 0.00 N ATOM 469 CA THR A 45 -3.082 -8.652 -6.759 1.00 0.00 C ATOM 470 C THR A 45 -2.525 -9.139 -5.415 1.00 0.00 C ATOM 471 O THR A 45 -2.473 -8.393 -4.455 1.00 0.00 O ATOM 472 CB THR A 45 -2.192 -7.548 -7.345 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.554 -7.325 -8.700 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.715 -7.952 -7.270 1.00 0.00 C ATOM 0 H THR A 45 -4.497 -7.080 -6.505 1.00 0.00 H new ATOM 0 HA THR A 45 -3.115 -9.478 -7.469 1.00 0.00 H new ATOM 0 HB THR A 45 -2.334 -6.635 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.989 -6.619 -9.078 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.099 -7.157 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.435 -8.117 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.560 -8.870 -7.837 1.00 0.00 H new ATOM 482 N LYS A 46 -2.146 -10.394 -5.328 1.00 0.00 N ATOM 483 CA LYS A 46 -1.636 -10.949 -4.028 1.00 0.00 C ATOM 484 C LYS A 46 -0.372 -11.784 -4.241 1.00 0.00 C ATOM 485 O LYS A 46 -0.181 -12.402 -5.270 1.00 0.00 O ATOM 486 CB LYS A 46 -2.716 -11.863 -3.435 1.00 0.00 C ATOM 487 CG LYS A 46 -3.904 -11.028 -2.935 1.00 0.00 C ATOM 488 CD LYS A 46 -5.175 -11.891 -2.883 1.00 0.00 C ATOM 489 CE LYS A 46 -4.993 -13.051 -1.900 1.00 0.00 C ATOM 490 NZ LYS A 46 -4.662 -12.515 -0.549 1.00 0.00 N ATOM 0 H LYS A 46 -2.167 -11.059 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.402 -10.118 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.054 -12.574 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.299 -12.444 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.686 -10.629 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.062 -10.175 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.025 -11.280 -2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.399 -12.280 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.904 -13.647 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.198 -13.712 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.713 -12.837 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.681 -11.475 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.360 -12.858 0.141 1.00 0.00 H new ATOM 504 N ARG A 47 0.476 -11.835 -3.244 1.00 0.00 N ATOM 505 CA ARG A 47 1.719 -12.661 -3.340 1.00 0.00 C ATOM 506 C ARG A 47 2.058 -13.204 -1.948 1.00 0.00 C ATOM 507 O ARG A 47 1.913 -12.522 -0.952 1.00 0.00 O ATOM 508 CB ARG A 47 2.886 -11.815 -3.873 1.00 0.00 C ATOM 509 CG ARG A 47 3.035 -10.529 -3.053 1.00 0.00 C ATOM 510 CD ARG A 47 4.389 -9.883 -3.364 1.00 0.00 C ATOM 511 NE ARG A 47 4.502 -9.625 -4.828 1.00 0.00 N ATOM 512 CZ ARG A 47 5.441 -8.837 -5.279 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.270 -8.270 -4.446 1.00 0.00 N ATOM 514 NH2 ARG A 47 5.552 -8.615 -6.560 1.00 0.00 N ATOM 0 H ARG A 47 0.360 -11.336 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 47 1.554 -13.487 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.810 -12.391 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.715 -11.568 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.226 -9.837 -3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.962 -10.752 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.492 -8.949 -2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.198 -10.537 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 47 3.847 -10.063 -5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.184 -8.442 -3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.004 -7.654 -4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.904 -9.057 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.286 -7.999 -6.909 1.00 0.00 H new ATOM 528 N LYS A 48 2.501 -14.431 -1.864 1.00 0.00 N ATOM 529 CA LYS A 48 2.844 -15.012 -0.531 1.00 0.00 C ATOM 530 C LYS A 48 4.315 -14.732 -0.223 1.00 0.00 C ATOM 531 O LYS A 48 5.201 -15.368 -0.758 1.00 0.00 O ATOM 532 CB LYS A 48 2.606 -16.526 -0.552 1.00 0.00 C ATOM 533 CG LYS A 48 1.104 -16.800 -0.654 1.00 0.00 C ATOM 534 CD LYS A 48 0.841 -18.313 -0.608 1.00 0.00 C ATOM 535 CE LYS A 48 1.391 -19.001 -1.869 1.00 0.00 C ATOM 536 NZ LYS A 48 0.569 -20.209 -2.165 1.00 0.00 N ATOM 0 H LYS A 48 2.640 -15.055 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 48 2.215 -14.559 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.128 -16.976 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.010 -16.982 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.580 -16.306 0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.712 -16.383 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.308 -18.741 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.230 -18.498 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.366 -18.313 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.433 -19.283 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.936 -20.679 -3.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.615 -20.866 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.419 -19.926 -2.324 1.00 0.00 H new ATOM 550 N LYS A 49 4.589 -13.787 0.636 1.00 0.00 N ATOM 551 CA LYS A 49 6.008 -13.475 0.971 1.00 0.00 C ATOM 552 C LYS A 49 6.477 -14.405 2.093 1.00 0.00 C ATOM 553 O LYS A 49 6.011 -14.329 3.217 1.00 0.00 O ATOM 554 CB LYS A 49 6.115 -12.015 1.422 1.00 0.00 C ATOM 555 CG LYS A 49 7.582 -11.658 1.672 1.00 0.00 C ATOM 556 CD LYS A 49 7.681 -10.200 2.122 1.00 0.00 C ATOM 557 CE LYS A 49 9.147 -9.840 2.370 1.00 0.00 C ATOM 558 NZ LYS A 49 9.916 -9.999 1.105 1.00 0.00 N ATOM 0 H LYS A 49 3.893 -13.219 1.119 1.00 0.00 H new ATOM 0 HA LYS A 49 6.637 -13.624 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.695 -11.358 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.533 -11.862 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.003 -12.314 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.165 -11.810 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.258 -9.544 1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.100 -10.049 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.225 -8.814 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.564 -10.482 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.791 -9.439 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.155 -11.002 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.340 -9.667 0.305 1.00 0.00 H new ATOM 572 N GLU A 50 7.392 -15.286 1.792 1.00 0.00 N ATOM 573 CA GLU A 50 7.897 -16.228 2.831 1.00 0.00 C ATOM 574 C GLU A 50 8.902 -15.506 3.727 1.00 0.00 C ATOM 575 O GLU A 50 9.586 -14.598 3.298 1.00 0.00 O ATOM 576 CB GLU A 50 8.569 -17.425 2.147 1.00 0.00 C ATOM 577 CG GLU A 50 9.757 -16.951 1.301 1.00 0.00 C ATOM 578 CD GLU A 50 10.412 -18.157 0.625 1.00 0.00 C ATOM 579 OE1 GLU A 50 10.063 -19.270 0.978 1.00 0.00 O ATOM 580 OE2 GLU A 50 11.250 -17.945 -0.237 1.00 0.00 O ATOM 0 H GLU A 50 7.812 -15.394 0.869 1.00 0.00 H new ATOM 0 HA GLU A 50 7.067 -16.583 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.909 -18.139 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.848 -17.945 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.421 -16.237 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.482 -16.434 1.930 1.00 0.00 H new ATOM 587 N GLY A 51 9.009 -15.901 4.968 1.00 0.00 N ATOM 588 CA GLY A 51 9.985 -15.229 5.875 1.00 0.00 C ATOM 589 C GLY A 51 9.562 -15.416 7.334 1.00 0.00 C ATOM 590 O GLY A 51 10.337 -15.850 8.161 1.00 0.00 O ATOM 0 H GLY A 51 8.467 -16.655 5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.981 -15.644 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.042 -14.167 5.638 1.00 0.00 H new ATOM 594 N VAL A 52 8.342 -15.087 7.661 1.00 0.00 N ATOM 595 CA VAL A 52 7.887 -15.240 9.068 1.00 0.00 C ATOM 596 C VAL A 52 7.549 -16.706 9.337 1.00 0.00 C ATOM 597 O VAL A 52 6.891 -17.355 8.547 1.00 0.00 O ATOM 598 CB VAL A 52 6.643 -14.380 9.295 1.00 0.00 C ATOM 599 CG1 VAL A 52 6.978 -12.909 9.042 1.00 0.00 C ATOM 600 CG2 VAL A 52 5.530 -14.822 8.338 1.00 0.00 C ATOM 0 H VAL A 52 7.644 -14.720 7.015 1.00 0.00 H new ATOM 0 HA VAL A 52 8.680 -14.920 9.745 1.00 0.00 H new ATOM 0 HB VAL A 52 6.307 -14.502 10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.089 -12.300 9.205 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.765 -12.592 9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.319 -12.785 8.014 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.644 -14.208 8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.868 -14.705 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.285 -15.868 8.523 1.00 0.00 H new ATOM 610 N LYS A 53 7.990 -17.233 10.448 1.00 0.00 N ATOM 611 CA LYS A 53 7.687 -18.656 10.763 1.00 0.00 C ATOM 612 C LYS A 53 6.171 -18.840 10.837 1.00 0.00 C ATOM 613 O LYS A 53 5.480 -18.103 11.512 1.00 0.00 O ATOM 614 CB LYS A 53 8.298 -19.024 12.118 1.00 0.00 C ATOM 615 CG LYS A 53 9.826 -19.019 12.028 1.00 0.00 C ATOM 616 CD LYS A 53 10.405 -19.392 13.396 1.00 0.00 C ATOM 617 CE LYS A 53 11.933 -19.394 13.333 1.00 0.00 C ATOM 618 NZ LYS A 53 12.426 -17.998 13.157 1.00 0.00 N ATOM 0 H LYS A 53 8.545 -16.740 11.148 1.00 0.00 H new ATOM 0 HA LYS A 53 8.105 -19.296 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.969 -18.315 12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.948 -20.009 12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.161 -19.728 11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.182 -18.035 11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.065 -18.682 14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.044 -20.375 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.345 -19.824 14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.273 -20.018 12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.440 -17.957 13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.278 -17.699 12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.904 -17.363 13.794 1.00 0.00 H new ATOM 632 N GLY A 54 5.647 -19.823 10.158 1.00 0.00 N ATOM 633 CA GLY A 54 4.175 -20.056 10.197 1.00 0.00 C ATOM 634 C GLY A 54 3.435 -18.757 9.867 1.00 0.00 C ATOM 635 O GLY A 54 4.033 -17.714 9.688 1.00 0.00 O ATOM 0 H GLY A 54 6.174 -20.475 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.902 -20.833 9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.880 -20.413 11.184 1.00 0.00 H new ATOM 639 N GLY A 55 2.134 -18.813 9.786 1.00 0.00 N ATOM 640 CA GLY A 55 1.347 -17.584 9.473 1.00 0.00 C ATOM 641 C GLY A 55 1.616 -17.147 8.031 1.00 0.00 C ATOM 642 O GLY A 55 0.715 -16.758 7.316 1.00 0.00 O ATOM 0 H GLY A 55 1.580 -19.658 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.283 -17.778 9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.617 -16.783 10.161 1.00 0.00 H new ATOM 646 N LYS A 56 2.848 -17.213 7.601 1.00 0.00 N ATOM 647 CA LYS A 56 3.182 -16.805 6.204 1.00 0.00 C ATOM 648 C LYS A 56 2.809 -15.332 5.996 1.00 0.00 C ATOM 649 O LYS A 56 1.689 -14.925 6.234 1.00 0.00 O ATOM 650 CB LYS A 56 2.402 -17.685 5.216 1.00 0.00 C ATOM 651 CG LYS A 56 3.061 -17.643 3.824 1.00 0.00 C ATOM 652 CD LYS A 56 4.238 -18.631 3.757 1.00 0.00 C ATOM 653 CE LYS A 56 4.732 -18.748 2.311 1.00 0.00 C ATOM 654 NZ LYS A 56 5.624 -19.935 2.189 1.00 0.00 N ATOM 0 H LYS A 56 3.640 -17.533 8.158 1.00 0.00 H new ATOM 0 HA LYS A 56 4.251 -16.930 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.371 -18.712 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.370 -17.340 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.325 -17.892 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.413 -16.633 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.048 -18.291 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.926 -19.608 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.885 -18.844 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.269 -17.844 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.961 -20.017 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.438 -19.824 2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.097 -20.794 2.447 1.00 0.00 H new ATOM 668 N ALA A 57 3.738 -14.525 5.555 1.00 0.00 N ATOM 669 CA ALA A 57 3.426 -13.082 5.338 1.00 0.00 C ATOM 670 C ALA A 57 2.807 -12.892 3.951 1.00 0.00 C ATOM 671 O ALA A 57 3.292 -13.414 2.968 1.00 0.00 O ATOM 672 CB ALA A 57 4.712 -12.262 5.443 1.00 0.00 C ATOM 0 H ALA A 57 4.695 -14.801 5.337 1.00 0.00 H new ATOM 0 HA ALA A 57 2.718 -12.746 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.485 -11.208 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.148 -12.395 6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.421 -12.598 4.686 1.00 0.00 H new ATOM 678 N VAL A 58 1.736 -12.140 3.873 1.00 0.00 N ATOM 679 CA VAL A 58 1.059 -11.890 2.559 1.00 0.00 C ATOM 680 C VAL A 58 0.896 -10.382 2.361 1.00 0.00 C ATOM 681 O VAL A 58 0.662 -9.648 3.300 1.00 0.00 O ATOM 682 CB VAL A 58 -0.318 -12.558 2.558 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.150 -14.070 2.405 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.033 -12.254 3.876 1.00 0.00 C ATOM 0 H VAL A 58 1.296 -11.683 4.672 1.00 0.00 H new ATOM 0 HA VAL A 58 1.660 -12.305 1.750 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.909 -12.172 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.130 -14.547 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.360 -14.286 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.441 -14.456 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.014 -12.729 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.443 -12.640 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.152 -11.176 3.985 1.00 0.00 H new ATOM 694 N GLU A 59 1.037 -9.915 1.144 1.00 0.00 N ATOM 695 CA GLU A 59 0.914 -8.448 0.870 1.00 0.00 C ATOM 696 C GLU A 59 0.016 -8.214 -0.348 1.00 0.00 C ATOM 697 O GLU A 59 -0.192 -9.096 -1.163 1.00 0.00 O ATOM 698 CB GLU A 59 2.305 -7.879 0.583 1.00 0.00 C ATOM 699 CG GLU A 59 3.183 -8.025 1.828 1.00 0.00 C ATOM 700 CD GLU A 59 4.573 -7.459 1.540 1.00 0.00 C ATOM 701 OE1 GLU A 59 4.813 -7.076 0.407 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.376 -7.417 2.458 1.00 0.00 O ATOM 0 H GLU A 59 1.233 -10.490 0.324 1.00 0.00 H new ATOM 0 HA GLU A 59 0.475 -7.955 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.758 -8.404 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.229 -6.829 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.731 -7.498 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.258 -9.075 2.112 1.00 0.00 H new ATOM 709 N TYR A 60 -0.511 -7.019 -0.472 1.00 0.00 N ATOM 710 CA TYR A 60 -1.401 -6.672 -1.624 1.00 0.00 C ATOM 711 C TYR A 60 -0.805 -5.458 -2.341 1.00 0.00 C ATOM 712 O TYR A 60 -0.179 -4.618 -1.728 1.00 0.00 O ATOM 713 CB TYR A 60 -2.784 -6.294 -1.096 1.00 0.00 C ATOM 714 CG TYR A 60 -3.314 -7.400 -0.218 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.950 -7.454 1.134 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.168 -8.370 -0.749 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.438 -8.481 1.949 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.656 -9.395 0.067 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.290 -9.451 1.415 1.00 0.00 C ATOM 720 OH TYR A 60 -4.767 -10.467 2.215 1.00 0.00 O ATOM 0 H TYR A 60 -0.359 -6.257 0.189 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.484 -7.521 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.726 -5.364 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.466 -6.119 -1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.293 -6.703 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.451 -8.328 -1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.156 -8.524 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.316 -10.144 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.507 -10.921 1.761 1.00 0.00 H new ATOM 730 N ASP A 61 -0.991 -5.353 -3.628 1.00 0.00 N ATOM 731 CA ASP A 61 -0.426 -4.183 -4.368 1.00 0.00 C ATOM 732 C ASP A 61 -1.464 -3.055 -4.384 1.00 0.00 C ATOM 733 O ASP A 61 -2.533 -3.198 -4.940 1.00 0.00 O ATOM 734 CB ASP A 61 -0.094 -4.599 -5.801 1.00 0.00 C ATOM 735 CG ASP A 61 0.721 -3.495 -6.480 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.675 -2.373 -6.004 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.380 -3.794 -7.461 1.00 0.00 O ATOM 0 H ASP A 61 -1.507 -6.022 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 61 0.483 -3.837 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.470 -5.532 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.012 -4.783 -6.359 1.00 0.00 H new ATOM 742 N VAL A 62 -1.161 -1.938 -3.774 1.00 0.00 N ATOM 743 CA VAL A 62 -2.125 -0.797 -3.742 1.00 0.00 C ATOM 744 C VAL A 62 -2.341 -0.237 -5.150 1.00 0.00 C ATOM 745 O VAL A 62 -3.413 0.230 -5.483 1.00 0.00 O ATOM 746 CB VAL A 62 -1.565 0.303 -2.835 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.440 1.558 -2.929 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.542 -0.201 -1.391 1.00 0.00 C ATOM 0 H VAL A 62 -0.279 -1.766 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.082 -1.150 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.553 0.554 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.034 2.334 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.454 1.916 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.456 1.318 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.144 0.578 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.555 -0.454 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.910 -1.087 -1.325 1.00 0.00 H new ATOM 758 N MET A 63 -1.329 -0.251 -5.972 1.00 0.00 N ATOM 759 CA MET A 63 -1.483 0.314 -7.342 1.00 0.00 C ATOM 760 C MET A 63 -2.423 -0.579 -8.151 1.00 0.00 C ATOM 761 O MET A 63 -2.814 -0.247 -9.253 1.00 0.00 O ATOM 762 CB MET A 63 -0.112 0.371 -8.022 1.00 0.00 C ATOM 763 CG MET A 63 0.746 1.439 -7.339 1.00 0.00 C ATOM 764 SD MET A 63 2.373 1.516 -8.137 1.00 0.00 S ATOM 765 CE MET A 63 1.839 2.166 -9.743 1.00 0.00 C ATOM 0 H MET A 63 -0.406 -0.627 -5.756 1.00 0.00 H new ATOM 0 HA MET A 63 -1.899 1.320 -7.284 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.378 -0.601 -7.960 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.227 0.603 -9.081 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.253 2.409 -7.401 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.860 1.206 -6.280 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.667 2.694 -10.215 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.523 1.342 -10.382 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.006 2.853 -9.598 1.00 0.00 H new ATOM 775 N SER A 64 -2.810 -1.698 -7.597 1.00 0.00 N ATOM 776 CA SER A 64 -3.754 -2.613 -8.306 1.00 0.00 C ATOM 777 C SER A 64 -5.144 -2.435 -7.696 1.00 0.00 C ATOM 778 O SER A 64 -6.134 -2.891 -8.231 1.00 0.00 O ATOM 779 CB SER A 64 -3.298 -4.060 -8.116 1.00 0.00 C ATOM 780 OG SER A 64 -3.531 -4.453 -6.771 1.00 0.00 O ATOM 0 H SER A 64 -2.510 -2.020 -6.677 1.00 0.00 H new ATOM 0 HA SER A 64 -3.776 -2.381 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.839 -4.716 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.239 -4.154 -8.356 1.00 0.00 H new ATOM 0 HG SER A 64 -3.359 -3.695 -6.174 1.00 0.00 H new ATOM 786 N MET A 65 -5.222 -1.768 -6.572 1.00 0.00 N ATOM 787 CA MET A 65 -6.540 -1.549 -5.915 1.00 0.00 C ATOM 788 C MET A 65 -7.301 -0.427 -6.645 1.00 0.00 C ATOM 789 O MET A 65 -6.700 0.541 -7.064 1.00 0.00 O ATOM 790 CB MET A 65 -6.313 -1.131 -4.460 1.00 0.00 C ATOM 791 CG MET A 65 -5.785 -2.322 -3.660 1.00 0.00 C ATOM 792 SD MET A 65 -5.546 -1.834 -1.936 1.00 0.00 S ATOM 793 CE MET A 65 -4.428 -3.180 -1.478 1.00 0.00 C ATOM 0 H MET A 65 -4.424 -1.365 -6.081 1.00 0.00 H new ATOM 0 HA MET A 65 -7.121 -2.470 -5.953 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.602 -0.306 -4.415 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.246 -0.772 -4.024 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.487 -3.153 -3.719 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.843 -2.670 -4.084 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.383 -3.262 -0.392 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.795 -4.117 -1.897 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.431 -2.974 -1.868 1.00 0.00 H new ATOM 803 N PRO A 66 -8.608 -0.525 -6.790 1.00 0.00 N ATOM 804 CA PRO A 66 -9.406 0.541 -7.471 1.00 0.00 C ATOM 805 C PRO A 66 -9.005 1.950 -7.004 1.00 0.00 C ATOM 806 O PRO A 66 -8.450 2.126 -5.938 1.00 0.00 O ATOM 807 CB PRO A 66 -10.851 0.227 -7.064 1.00 0.00 C ATOM 808 CG PRO A 66 -10.877 -1.250 -6.824 1.00 0.00 C ATOM 809 CD PRO A 66 -9.472 -1.641 -6.340 1.00 0.00 C ATOM 0 HA PRO A 66 -9.250 0.542 -8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.136 0.777 -6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.552 0.511 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.629 -1.508 -6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.136 -1.786 -7.737 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.442 -1.756 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.153 -2.590 -6.770 1.00 0.00 H new ATOM 817 N THR A 67 -9.282 2.951 -7.797 1.00 0.00 N ATOM 818 CA THR A 67 -8.923 4.346 -7.408 1.00 0.00 C ATOM 819 C THR A 67 -9.625 4.726 -6.104 1.00 0.00 C ATOM 820 O THR A 67 -9.061 5.385 -5.254 1.00 0.00 O ATOM 821 CB THR A 67 -9.359 5.310 -8.515 1.00 0.00 C ATOM 822 OG1 THR A 67 -8.699 4.967 -9.725 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.997 6.742 -8.117 1.00 0.00 C ATOM 0 H THR A 67 -9.744 2.862 -8.702 1.00 0.00 H new ATOM 0 HA THR A 67 -7.844 4.408 -7.265 1.00 0.00 H new ATOM 0 HB THR A 67 -10.437 5.239 -8.658 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.978 5.582 -10.435 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.307 7.428 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.506 7.001 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.919 6.818 -7.973 1.00 0.00 H new ATOM 831 N LYS A 68 -10.857 4.331 -5.943 1.00 0.00 N ATOM 832 CA LYS A 68 -11.602 4.687 -4.701 1.00 0.00 C ATOM 833 C LYS A 68 -10.789 4.258 -3.473 1.00 0.00 C ATOM 834 O LYS A 68 -10.575 5.030 -2.559 1.00 0.00 O ATOM 835 CB LYS A 68 -12.949 3.956 -4.721 1.00 0.00 C ATOM 836 CG LYS A 68 -13.800 4.360 -3.516 1.00 0.00 C ATOM 837 CD LYS A 68 -15.132 3.606 -3.578 1.00 0.00 C ATOM 838 CE LYS A 68 -16.035 4.038 -2.419 1.00 0.00 C ATOM 839 NZ LYS A 68 -15.220 4.200 -1.183 1.00 0.00 N ATOM 0 H LYS A 68 -11.382 3.776 -6.619 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.765 5.764 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.481 4.189 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.784 2.879 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.277 4.126 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.975 5.436 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.627 3.804 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.953 2.532 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.533 4.976 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.816 3.295 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.843 4.173 -0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.526 3.428 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.721 5.112 -1.213 1.00 0.00 H new ATOM 853 N GLU A 69 -10.324 3.041 -3.446 1.00 0.00 N ATOM 854 CA GLU A 69 -9.517 2.574 -2.279 1.00 0.00 C ATOM 855 C GLU A 69 -8.186 3.333 -2.209 1.00 0.00 C ATOM 856 O GLU A 69 -7.718 3.673 -1.143 1.00 0.00 O ATOM 857 CB GLU A 69 -9.259 1.071 -2.397 1.00 0.00 C ATOM 858 CG GLU A 69 -10.543 0.310 -2.057 1.00 0.00 C ATOM 859 CD GLU A 69 -10.365 -1.173 -2.380 1.00 0.00 C ATOM 860 OE1 GLU A 69 -9.259 -1.558 -2.723 1.00 0.00 O ATOM 861 OE2 GLU A 69 -11.341 -1.898 -2.282 1.00 0.00 O ATOM 0 H GLU A 69 -10.466 2.347 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.076 2.771 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.933 0.824 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.457 0.774 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.783 0.436 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.380 0.718 -2.624 1.00 0.00 H new ATOM 868 N ARG A 70 -7.569 3.603 -3.329 1.00 0.00 N ATOM 869 CA ARG A 70 -6.270 4.338 -3.294 1.00 0.00 C ATOM 870 C ARG A 70 -6.462 5.690 -2.604 1.00 0.00 C ATOM 871 O ARG A 70 -5.616 6.140 -1.859 1.00 0.00 O ATOM 872 CB ARG A 70 -5.750 4.570 -4.716 1.00 0.00 C ATOM 873 CG ARG A 70 -5.287 3.245 -5.325 1.00 0.00 C ATOM 874 CD ARG A 70 -4.769 3.491 -6.744 1.00 0.00 C ATOM 875 NE ARG A 70 -3.488 4.253 -6.683 1.00 0.00 N ATOM 876 CZ ARG A 70 -2.728 4.339 -7.742 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.109 3.796 -8.864 1.00 0.00 N ATOM 878 NH2 ARG A 70 -1.591 4.978 -7.680 1.00 0.00 N ATOM 0 H ARG A 70 -7.904 3.349 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.546 3.739 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.535 5.009 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.924 5.281 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.502 2.804 -4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.112 2.533 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.615 2.541 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.508 4.047 -7.321 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.206 4.707 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.001 3.304 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.515 3.863 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.296 5.410 -6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.998 5.045 -8.507 1.00 0.00 H new ATOM 892 N GLU A 71 -7.560 6.348 -2.853 1.00 0.00 N ATOM 893 CA GLU A 71 -7.786 7.676 -2.216 1.00 0.00 C ATOM 894 C GLU A 71 -7.781 7.520 -0.694 1.00 0.00 C ATOM 895 O GLU A 71 -7.164 8.289 0.014 1.00 0.00 O ATOM 896 CB GLU A 71 -9.142 8.219 -2.663 1.00 0.00 C ATOM 897 CG GLU A 71 -9.074 8.594 -4.144 1.00 0.00 C ATOM 898 CD GLU A 71 -10.447 9.075 -4.614 1.00 0.00 C ATOM 899 OE1 GLU A 71 -11.286 8.232 -4.887 1.00 0.00 O ATOM 900 OE2 GLU A 71 -10.634 10.277 -4.695 1.00 0.00 O ATOM 0 H GLU A 71 -8.308 6.026 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.995 8.365 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.918 7.470 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.411 9.091 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.331 9.377 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.757 7.734 -4.733 1.00 0.00 H new ATOM 907 N GLN A 72 -8.470 6.538 -0.186 1.00 0.00 N ATOM 908 CA GLN A 72 -8.512 6.344 1.292 1.00 0.00 C ATOM 909 C GLN A 72 -7.138 5.904 1.816 1.00 0.00 C ATOM 910 O GLN A 72 -6.707 6.329 2.870 1.00 0.00 O ATOM 911 CB GLN A 72 -9.564 5.282 1.640 1.00 0.00 C ATOM 912 CG GLN A 72 -10.966 5.898 1.573 1.00 0.00 C ATOM 913 CD GLN A 72 -11.283 6.312 0.137 1.00 0.00 C ATOM 914 OE1 GLN A 72 -10.971 7.513 -0.267 1.00 0.00 O flip ATOM 915 NE2 GLN A 72 -11.820 5.535 -0.625 1.00 0.00 N flip ATOM 0 H GLN A 72 -9.006 5.861 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.777 7.290 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.491 4.444 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.378 4.886 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.706 5.179 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.024 6.764 2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.064 4.596 -0.309 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.028 5.821 -1.582 1.00 0.00 H new ATOM 924 N VAL A 73 -6.452 5.047 1.109 1.00 0.00 N ATOM 925 CA VAL A 73 -5.120 4.584 1.603 1.00 0.00 C ATOM 926 C VAL A 73 -4.105 5.728 1.524 1.00 0.00 C ATOM 927 O VAL A 73 -3.422 6.030 2.484 1.00 0.00 O ATOM 928 CB VAL A 73 -4.640 3.419 0.733 1.00 0.00 C ATOM 929 CG1 VAL A 73 -3.207 3.029 1.116 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.564 2.221 0.941 1.00 0.00 C ATOM 0 H VAL A 73 -6.751 4.650 0.219 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.213 4.261 2.640 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.657 3.724 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.876 2.200 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.545 3.882 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.180 2.728 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.226 1.389 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.546 1.925 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.581 2.493 0.658 1.00 0.00 H new ATOM 940 N ILE A 74 -3.998 6.366 0.391 1.00 0.00 N ATOM 941 CA ILE A 74 -3.025 7.485 0.255 1.00 0.00 C ATOM 942 C ILE A 74 -3.376 8.592 1.246 1.00 0.00 C ATOM 943 O ILE A 74 -2.510 9.184 1.860 1.00 0.00 O ATOM 944 CB ILE A 74 -3.050 8.013 -1.180 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.437 6.952 -2.100 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.230 9.306 -1.276 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.745 7.289 -3.557 1.00 0.00 C ATOM 0 H ILE A 74 -4.543 6.160 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.019 7.128 0.476 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.077 8.224 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.359 6.905 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.836 5.969 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.253 9.676 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.655 10.057 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.199 9.105 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.307 6.531 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.825 7.313 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.324 8.264 -3.802 1.00 0.00 H new ATOM 959 N ALA A 75 -4.635 8.872 1.420 1.00 0.00 N ATOM 960 CA ALA A 75 -5.021 9.935 2.386 1.00 0.00 C ATOM 961 C ALA A 75 -4.421 9.579 3.743 1.00 0.00 C ATOM 962 O ALA A 75 -3.935 10.427 4.464 1.00 0.00 O ATOM 963 CB ALA A 75 -6.544 9.999 2.498 1.00 0.00 C ATOM 0 H ALA A 75 -5.409 8.414 0.939 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.653 10.905 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.824 10.779 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.971 10.225 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.924 9.039 2.846 1.00 0.00 H new ATOM 969 N HIS A 76 -4.438 8.322 4.087 1.00 0.00 N ATOM 970 CA HIS A 76 -3.854 7.899 5.385 1.00 0.00 C ATOM 971 C HIS A 76 -2.337 8.125 5.344 1.00 0.00 C ATOM 972 O HIS A 76 -1.734 8.517 6.324 1.00 0.00 O ATOM 973 CB HIS A 76 -4.155 6.415 5.626 1.00 0.00 C ATOM 974 CG HIS A 76 -3.941 6.085 7.080 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.980 5.686 7.909 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.817 6.094 7.866 1.00 0.00 C ATOM 977 CE1 HIS A 76 -4.463 5.474 9.134 1.00 0.00 C ATOM 978 NE2 HIS A 76 -3.148 5.708 9.163 1.00 0.00 N ATOM 0 H HIS A 76 -4.832 7.569 3.523 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.289 8.483 6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.182 6.191 5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.508 5.797 5.003 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.826 6.360 7.530 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.041 5.154 9.989 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.521 5.622 9.963 1.00 0.00 H new ATOM 986 N LEU A 77 -1.712 7.882 4.217 1.00 0.00 N ATOM 987 CA LEU A 77 -0.234 8.092 4.128 1.00 0.00 C ATOM 988 C LEU A 77 0.093 9.562 4.407 1.00 0.00 C ATOM 989 O LEU A 77 1.063 9.879 5.066 1.00 0.00 O ATOM 990 CB LEU A 77 0.265 7.742 2.717 1.00 0.00 C ATOM 991 CG LEU A 77 0.007 6.259 2.395 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.439 5.956 0.942 1.00 0.00 C ATOM 993 CD2 LEU A 77 0.802 5.365 3.368 1.00 0.00 C ATOM 0 H LEU A 77 -2.158 7.550 3.362 1.00 0.00 H new ATOM 0 HA LEU A 77 0.254 7.450 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.239 8.371 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.331 7.955 2.641 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.057 6.052 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.254 4.905 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.134 6.579 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.501 6.170 0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.615 4.317 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.867 5.575 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.487 5.571 4.391 1.00 0.00 H new ATOM 1005 N GLY A 78 -0.706 10.463 3.897 1.00 0.00 N ATOM 1006 CA GLY A 78 -0.438 11.915 4.119 1.00 0.00 C ATOM 1007 C GLY A 78 -0.400 12.214 5.617 1.00 0.00 C ATOM 1008 O GLY A 78 0.622 12.588 6.154 1.00 0.00 O ATOM 0 H GLY A 78 -1.533 10.256 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.511 12.193 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.212 12.514 3.639 1.00 0.00 H new ATOM 1012 N LEU A 79 -1.509 12.047 6.292 1.00 0.00 N ATOM 1013 CA LEU A 79 -1.562 12.316 7.762 1.00 0.00 C ATOM 1014 C LEU A 79 -0.784 13.605 8.092 1.00 0.00 C ATOM 1015 O LEU A 79 -1.350 14.679 8.111 1.00 0.00 O ATOM 1016 CB LEU A 79 -0.976 11.105 8.512 1.00 0.00 C ATOM 1017 CG LEU A 79 -1.505 11.034 9.958 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -1.156 12.325 10.708 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -3.034 10.811 9.973 1.00 0.00 C ATOM 0 H LEU A 79 -2.389 11.733 5.883 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.595 12.462 8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.233 10.187 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.112 11.173 8.523 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.030 10.189 10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.534 12.266 11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.074 12.453 10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.612 13.175 10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.385 10.764 11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.527 11.636 9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.270 9.875 9.467 1.00 0.00 H new ATOM 1031 N SER A 80 0.497 13.523 8.346 1.00 0.00 N ATOM 1032 CA SER A 80 1.270 14.760 8.664 1.00 0.00 C ATOM 1033 C SER A 80 2.741 14.558 8.301 1.00 0.00 C ATOM 1034 O SER A 80 3.559 15.442 8.471 1.00 0.00 O ATOM 1035 CB SER A 80 1.148 15.064 10.156 1.00 0.00 C ATOM 1036 OG SER A 80 -0.221 15.018 10.533 1.00 0.00 O ATOM 0 H SER A 80 1.038 12.658 8.347 1.00 0.00 H new ATOM 0 HA SER A 80 0.870 15.594 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.721 14.340 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.564 16.047 10.374 1.00 0.00 H new ATOM 0 HG SER A 80 -0.779 15.278 9.771 1.00 0.00 H new ATOM 1042 N THR A 81 3.089 13.404 7.804 1.00 0.00 N ATOM 1043 CA THR A 81 4.512 13.155 7.436 1.00 0.00 C ATOM 1044 C THR A 81 4.908 14.085 6.288 1.00 0.00 C ATOM 1045 O THR A 81 5.463 13.660 5.295 1.00 0.00 O ATOM 1046 CB THR A 81 4.683 11.698 6.997 1.00 0.00 C ATOM 1047 OG1 THR A 81 5.965 11.531 6.408 1.00 0.00 O ATOM 1048 CG2 THR A 81 3.598 11.334 5.981 1.00 0.00 C ATOM 0 H THR A 81 2.453 12.625 7.637 1.00 0.00 H new ATOM 0 HA THR A 81 5.150 13.348 8.299 1.00 0.00 H new ATOM 0 HB THR A 81 4.593 11.045 7.865 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.995 12.005 5.551 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.723 10.297 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.616 11.461 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.681 11.985 5.111 1.00 0.00 H new TER 1056 THR A 81