USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 752 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 65 HIS : no HE2:sc= -1.93 K(o=-1.4,f=-3!) USER MOD Set 1.2: A 105 GLN : amide:sc= 0.533 X(o=-1.4,f=-1.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 47:sc= 0.154 USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= 1.9 (180deg=0.626) USER MOD Single : A 21 THR OG1 : rot 145:sc= 0.375 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -157:sc= -1.57! USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.0176 (180deg=-0.173) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 40 THR OG1 : rot -92:sc= 0.0847 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-0.44) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -17:sc= -1.51! USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -0.0501 (180deg=-0.262) USER MOD Single : A 74 ASN : amide:sc= -0.0883 K(o=-0.088,f=-0.86) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 83 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.76) USER MOD Single : A 89 THR OG1 : rot 69:sc= 1.06 USER MOD Single : A 92 ASN : amide:sc=-0.00605 X(o=-0.0061,f=0) USER MOD Single : A 93 THR OG1 : rot -83:sc= -1.32 USER MOD Single : A 95 GLN : amide:sc= 0.378 K(o=0.38,f=-0.51) USER MOD Single : A 98 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-7.5!) USER MOD Single : A 103 LYS NZ :NH3+ -109:sc= -0.83! (180deg=-4.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 80.337 -9.062 11.202 1.00 0.00 N ATOM 2 CA LYS A 9 79.294 -8.843 12.187 1.00 0.00 C ATOM 3 C LYS A 9 78.949 -7.372 12.182 1.00 0.00 C ATOM 4 O LYS A 9 79.764 -6.551 11.720 1.00 0.00 O ATOM 5 CB LYS A 9 79.751 -9.200 13.616 1.00 0.00 C ATOM 6 CG LYS A 9 79.928 -10.669 13.916 1.00 0.00 C ATOM 7 CD LYS A 9 80.237 -10.885 15.382 1.00 0.00 C ATOM 8 CE LYS A 9 79.102 -10.383 16.267 1.00 0.00 C ATOM 9 NZ LYS A 9 79.407 -10.559 17.693 1.00 0.00 N ATOM 0 HA LYS A 9 78.448 -9.478 11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 9 80.698 -8.695 13.808 1.00 0.00 H new ATOM 0 HB3 LYS A 9 79.024 -8.793 14.319 1.00 0.00 H new ATOM 0 HG2 LYS A 9 79.022 -11.211 13.647 1.00 0.00 H new ATOM 0 HG3 LYS A 9 80.735 -11.075 13.306 1.00 0.00 H new ATOM 0 HD2 LYS A 9 80.404 -11.946 15.568 1.00 0.00 H new ATOM 0 HD3 LYS A 9 81.160 -10.367 15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 9 78.919 -9.328 16.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 78.185 -10.919 16.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 78.613 -10.206 18.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 79.557 -11.568 17.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 80.268 -10.027 17.932 1.00 0.00 H new ATOM 23 N PRO A 10 77.758 -6.995 12.670 1.00 0.00 N ATOM 24 CA PRO A 10 77.409 -5.602 12.837 1.00 0.00 C ATOM 25 C PRO A 10 78.321 -4.958 13.888 1.00 0.00 C ATOM 26 O PRO A 10 78.290 -5.317 15.069 1.00 0.00 O ATOM 27 CB PRO A 10 75.947 -5.629 13.322 1.00 0.00 C ATOM 28 CG PRO A 10 75.745 -7.003 13.858 1.00 0.00 C ATOM 29 CD PRO A 10 76.651 -7.894 13.064 1.00 0.00 C ATOM 0 HA PRO A 10 77.526 -5.022 11.922 1.00 0.00 H new ATOM 0 HB2 PRO A 10 75.772 -4.876 14.090 1.00 0.00 H new ATOM 0 HB3 PRO A 10 75.256 -5.418 12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 10 75.987 -7.047 14.920 1.00 0.00 H new ATOM 0 HG3 PRO A 10 74.705 -7.313 13.755 1.00 0.00 H new ATOM 0 HD2 PRO A 10 77.009 -8.735 13.658 1.00 0.00 H new ATOM 0 HD3 PRO A 10 76.143 -8.311 12.194 1.00 0.00 H new ATOM 37 N GLY A 11 79.174 -4.076 13.439 1.00 0.00 N ATOM 38 CA GLY A 11 80.079 -3.399 14.325 1.00 0.00 C ATOM 39 C GLY A 11 81.520 -3.667 13.984 1.00 0.00 C ATOM 40 O GLY A 11 82.419 -3.245 14.697 1.00 0.00 O ATOM 0 H GLY A 11 79.260 -3.809 12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 11 79.891 -2.326 14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 11 79.886 -3.716 15.350 1.00 0.00 H new ATOM 44 N ASP A 12 81.747 -4.402 12.926 1.00 0.00 N ATOM 45 CA ASP A 12 83.107 -4.714 12.501 1.00 0.00 C ATOM 46 C ASP A 12 83.585 -3.692 11.500 1.00 0.00 C ATOM 47 O ASP A 12 82.769 -3.087 10.770 1.00 0.00 O ATOM 48 CB ASP A 12 83.144 -6.087 11.812 1.00 0.00 C ATOM 49 CG ASP A 12 84.553 -6.697 11.715 1.00 0.00 C ATOM 50 OD1 ASP A 12 85.094 -7.138 12.756 1.00 0.00 O ATOM 51 OD2 ASP A 12 85.132 -6.770 10.620 1.00 0.00 O ATOM 0 H ASP A 12 81.016 -4.800 12.337 1.00 0.00 H new ATOM 0 HA ASP A 12 83.744 -4.712 13.385 1.00 0.00 H new ATOM 0 HB2 ASP A 12 82.498 -6.774 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 12 82.731 -5.990 10.808 1.00 0.00 H new ATOM 56 N THR A 13 84.860 -3.434 11.513 1.00 0.00 N ATOM 57 CA THR A 13 85.472 -2.727 10.451 1.00 0.00 C ATOM 58 C THR A 13 85.895 -3.758 9.441 1.00 0.00 C ATOM 59 O THR A 13 86.834 -4.534 9.680 1.00 0.00 O ATOM 60 CB THR A 13 86.695 -1.920 10.907 1.00 0.00 C ATOM 61 OG1 THR A 13 87.484 -2.686 11.849 1.00 0.00 O ATOM 62 CG2 THR A 13 86.301 -0.586 11.500 1.00 0.00 C ATOM 0 H THR A 13 85.494 -3.711 12.262 1.00 0.00 H new ATOM 0 HA THR A 13 84.766 -2.006 10.040 1.00 0.00 H new ATOM 0 HB THR A 13 87.302 -1.716 10.025 1.00 0.00 H new ATOM 0 HG1 THR A 13 87.615 -3.594 11.504 1.00 0.00 H new ATOM 0 HG21 THR A 13 87.196 -0.047 11.810 1.00 0.00 H new ATOM 0 HG22 THR A 13 85.765 -0.000 10.753 1.00 0.00 H new ATOM 0 HG23 THR A 13 85.658 -0.748 12.365 1.00 0.00 H new ATOM 70 N PHE A 14 85.238 -3.795 8.343 1.00 0.00 N ATOM 71 CA PHE A 14 85.492 -4.817 7.408 1.00 0.00 C ATOM 72 C PHE A 14 86.180 -4.275 6.193 1.00 0.00 C ATOM 73 O PHE A 14 85.596 -3.580 5.360 1.00 0.00 O ATOM 74 CB PHE A 14 84.243 -5.678 7.087 1.00 0.00 C ATOM 75 CG PHE A 14 83.028 -4.946 6.566 1.00 0.00 C ATOM 76 CD1 PHE A 14 82.193 -4.250 7.428 1.00 0.00 C ATOM 77 CD2 PHE A 14 82.708 -4.983 5.218 1.00 0.00 C ATOM 78 CE1 PHE A 14 81.072 -3.606 6.955 1.00 0.00 C ATOM 79 CE2 PHE A 14 81.589 -4.339 4.740 1.00 0.00 C ATOM 80 CZ PHE A 14 80.770 -3.649 5.610 1.00 0.00 C ATOM 0 H PHE A 14 84.518 -3.125 8.071 1.00 0.00 H new ATOM 0 HA PHE A 14 86.185 -5.517 7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 14 84.528 -6.430 6.351 1.00 0.00 H new ATOM 0 HB3 PHE A 14 83.956 -6.212 7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 14 82.425 -4.213 8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 14 83.345 -5.524 4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 14 80.430 -3.068 7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 14 81.353 -4.374 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 14 79.892 -3.142 5.238 1.00 0.00 H new ATOM 90 N GLU A 15 87.456 -4.486 6.185 1.00 0.00 N ATOM 91 CA GLU A 15 88.294 -4.168 5.086 1.00 0.00 C ATOM 92 C GLU A 15 88.001 -5.155 3.964 1.00 0.00 C ATOM 93 O GLU A 15 88.522 -6.274 3.930 1.00 0.00 O ATOM 94 CB GLU A 15 89.739 -4.239 5.525 1.00 0.00 C ATOM 95 CG GLU A 15 90.113 -3.210 6.585 1.00 0.00 C ATOM 96 CD GLU A 15 91.465 -3.466 7.199 1.00 0.00 C ATOM 97 OE1 GLU A 15 92.458 -3.610 6.464 1.00 0.00 O ATOM 98 OE2 GLU A 15 91.543 -3.609 8.443 1.00 0.00 O ATOM 0 H GLU A 15 87.956 -4.899 6.973 1.00 0.00 H new ATOM 0 HA GLU A 15 88.104 -3.157 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 15 89.942 -5.237 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 15 90.380 -4.099 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 15 90.105 -2.216 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 15 89.357 -3.213 7.370 1.00 0.00 H new ATOM 105 N VAL A 16 87.102 -4.761 3.132 1.00 0.00 N ATOM 106 CA VAL A 16 86.601 -5.584 2.075 1.00 0.00 C ATOM 107 C VAL A 16 87.493 -5.516 0.843 1.00 0.00 C ATOM 108 O VAL A 16 88.003 -4.455 0.471 1.00 0.00 O ATOM 109 CB VAL A 16 85.118 -5.223 1.724 1.00 0.00 C ATOM 110 CG1 VAL A 16 84.988 -3.806 1.194 1.00 0.00 C ATOM 111 CG2 VAL A 16 84.504 -6.228 0.760 1.00 0.00 C ATOM 0 H VAL A 16 86.680 -3.833 3.164 1.00 0.00 H new ATOM 0 HA VAL A 16 86.614 -6.614 2.431 1.00 0.00 H new ATOM 0 HB VAL A 16 84.555 -5.275 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 16 83.943 -3.598 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 16 85.340 -3.102 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 16 85.587 -3.699 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 16 83.475 -5.941 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 16 85.080 -6.243 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 16 84.516 -7.220 1.212 1.00 0.00 H new ATOM 121 N GLU A 17 87.692 -6.652 0.247 1.00 0.00 N ATOM 122 CA GLU A 17 88.453 -6.775 -0.950 1.00 0.00 C ATOM 123 C GLU A 17 87.455 -7.066 -2.051 1.00 0.00 C ATOM 124 O GLU A 17 86.858 -8.146 -2.079 1.00 0.00 O ATOM 125 CB GLU A 17 89.424 -7.939 -0.806 1.00 0.00 C ATOM 126 CG GLU A 17 90.410 -8.072 -1.925 1.00 0.00 C ATOM 127 CD GLU A 17 91.234 -9.320 -1.816 1.00 0.00 C ATOM 128 OE1 GLU A 17 92.196 -9.347 -1.024 1.00 0.00 O ATOM 129 OE2 GLU A 17 90.924 -10.315 -2.523 1.00 0.00 O ATOM 0 H GLU A 17 87.319 -7.537 0.591 1.00 0.00 H new ATOM 0 HA GLU A 17 89.028 -5.875 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 17 89.970 -7.825 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 17 88.853 -8.864 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 17 89.878 -8.073 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 17 91.069 -7.204 -1.930 1.00 0.00 H new ATOM 136 N LEU A 18 87.213 -6.121 -2.895 1.00 0.00 N ATOM 137 CA LEU A 18 86.223 -6.303 -3.916 1.00 0.00 C ATOM 138 C LEU A 18 86.905 -6.251 -5.287 1.00 0.00 C ATOM 139 O LEU A 18 87.677 -5.347 -5.564 1.00 0.00 O ATOM 140 CB LEU A 18 85.124 -5.214 -3.783 1.00 0.00 C ATOM 141 CG LEU A 18 83.672 -5.659 -4.123 1.00 0.00 C ATOM 142 CD1 LEU A 18 83.626 -6.264 -5.484 1.00 0.00 C ATOM 143 CD2 LEU A 18 83.172 -6.667 -3.089 1.00 0.00 C ATOM 0 H LEU A 18 87.682 -5.215 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 18 85.741 -7.274 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 18 85.136 -4.838 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 18 85.388 -4.380 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 18 83.025 -4.782 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 18 82.605 -6.572 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 18 83.956 -5.530 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 18 84.283 -7.133 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 18 82.155 -6.970 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 18 83.822 -7.542 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 18 83.182 -6.209 -2.100 1.00 0.00 H new ATOM 155 N ALA A 19 86.625 -7.210 -6.128 1.00 0.00 N ATOM 156 CA ALA A 19 87.233 -7.271 -7.438 1.00 0.00 C ATOM 157 C ALA A 19 86.252 -6.822 -8.513 1.00 0.00 C ATOM 158 O ALA A 19 85.090 -7.238 -8.507 1.00 0.00 O ATOM 159 CB ALA A 19 87.710 -8.685 -7.725 1.00 0.00 C ATOM 0 H ALA A 19 85.973 -7.969 -5.930 1.00 0.00 H new ATOM 0 HA ALA A 19 88.088 -6.595 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 19 88.167 -8.721 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 19 88.444 -8.981 -6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.862 -9.369 -7.692 1.00 0.00 H new ATOM 165 N LYS A 20 86.709 -5.947 -9.398 1.00 0.00 N ATOM 166 CA LYS A 20 85.928 -5.498 -10.540 1.00 0.00 C ATOM 167 C LYS A 20 85.552 -6.639 -11.455 1.00 0.00 C ATOM 168 O LYS A 20 86.384 -7.508 -11.774 1.00 0.00 O ATOM 169 CB LYS A 20 86.707 -4.497 -11.398 1.00 0.00 C ATOM 170 CG LYS A 20 86.514 -3.021 -11.109 1.00 0.00 C ATOM 171 CD LYS A 20 86.848 -2.609 -9.707 1.00 0.00 C ATOM 172 CE LYS A 20 86.867 -1.097 -9.593 1.00 0.00 C ATOM 173 NZ LYS A 20 87.988 -0.506 -10.364 1.00 0.00 N ATOM 0 H LYS A 20 87.637 -5.527 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 20 85.036 -5.038 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 20 87.769 -4.723 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 20 86.443 -4.672 -12.441 1.00 0.00 H new ATOM 0 HG2 LYS A 20 87.131 -2.446 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 20 85.476 -2.757 -11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 20 86.115 -3.023 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 20 87.819 -3.014 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 20 85.922 -0.692 -9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 20 86.955 -0.812 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 88.297 0.375 -9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 88.781 -1.178 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 87.672 -0.301 -11.333 1.00 0.00 H new ATOM 187 N THR A 21 84.330 -6.629 -11.881 1.00 0.00 N ATOM 188 CA THR A 21 83.885 -7.503 -12.901 1.00 0.00 C ATOM 189 C THR A 21 83.768 -6.686 -14.163 1.00 0.00 C ATOM 190 O THR A 21 82.849 -5.849 -14.296 1.00 0.00 O ATOM 191 CB THR A 21 82.548 -8.169 -12.536 1.00 0.00 C ATOM 192 OG1 THR A 21 81.612 -7.190 -12.046 1.00 0.00 O ATOM 193 CG2 THR A 21 82.769 -9.226 -11.490 1.00 0.00 C ATOM 0 H THR A 21 83.609 -6.003 -11.521 1.00 0.00 H new ATOM 0 HA THR A 21 84.595 -8.319 -13.037 1.00 0.00 H new ATOM 0 HB THR A 21 82.136 -8.630 -13.434 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.707 -7.429 -12.336 1.00 0.00 H new ATOM 0 HG21 THR A 21 81.817 -9.693 -11.237 1.00 0.00 H new ATOM 0 HG22 THR A 21 83.453 -9.982 -11.876 1.00 0.00 H new ATOM 0 HG23 THR A 21 83.198 -8.771 -10.597 1.00 0.00 H new ATOM 201 N ASP A 22 84.783 -6.809 -15.018 1.00 0.00 N ATOM 202 CA ASP A 22 84.908 -6.072 -16.293 1.00 0.00 C ATOM 203 C ASP A 22 85.258 -4.598 -16.077 1.00 0.00 C ATOM 204 O ASP A 22 86.172 -4.066 -16.709 1.00 0.00 O ATOM 205 CB ASP A 22 83.674 -6.223 -17.186 1.00 0.00 C ATOM 206 CG ASP A 22 83.739 -5.358 -18.414 1.00 0.00 C ATOM 207 OD1 ASP A 22 84.542 -5.656 -19.320 1.00 0.00 O ATOM 208 OD2 ASP A 22 83.004 -4.350 -18.485 1.00 0.00 O ATOM 0 H ASP A 22 85.567 -7.439 -14.846 1.00 0.00 H new ATOM 0 HA ASP A 22 85.742 -6.533 -16.823 1.00 0.00 H new ATOM 0 HB2 ASP A 22 83.573 -7.266 -17.486 1.00 0.00 H new ATOM 0 HB3 ASP A 22 82.782 -5.968 -16.613 1.00 0.00 H new ATOM 213 N GLY A 23 84.526 -3.951 -15.211 1.00 0.00 N ATOM 214 CA GLY A 23 84.798 -2.575 -14.880 1.00 0.00 C ATOM 215 C GLY A 23 83.945 -2.063 -13.736 1.00 0.00 C ATOM 216 O GLY A 23 84.065 -0.909 -13.338 1.00 0.00 O ATOM 0 H GLY A 23 83.731 -4.357 -14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 23 85.851 -2.471 -14.616 1.00 0.00 H new ATOM 0 HA3 GLY A 23 84.627 -1.954 -15.760 1.00 0.00 H new ATOM 220 N SER A 24 83.098 -2.909 -13.188 1.00 0.00 N ATOM 221 CA SER A 24 82.211 -2.485 -12.129 1.00 0.00 C ATOM 222 C SER A 24 82.651 -3.080 -10.809 1.00 0.00 C ATOM 223 O SER A 24 83.154 -4.200 -10.781 1.00 0.00 O ATOM 224 CB SER A 24 80.786 -2.941 -12.442 1.00 0.00 C ATOM 225 OG SER A 24 80.344 -2.447 -13.704 1.00 0.00 O ATOM 0 H SER A 24 83.006 -3.889 -13.457 1.00 0.00 H new ATOM 0 HA SER A 24 82.242 -1.398 -12.057 1.00 0.00 H new ATOM 0 HB2 SER A 24 80.743 -4.030 -12.441 1.00 0.00 H new ATOM 0 HB3 SER A 24 80.112 -2.595 -11.658 1.00 0.00 H new ATOM 0 HG SER A 24 79.430 -2.758 -13.875 1.00 0.00 H new ATOM 231 N LEU A 25 82.504 -2.331 -9.725 1.00 0.00 N ATOM 232 CA LEU A 25 82.798 -2.872 -8.411 1.00 0.00 C ATOM 233 C LEU A 25 81.504 -3.410 -7.809 1.00 0.00 C ATOM 234 O LEU A 25 81.494 -4.075 -6.775 1.00 0.00 O ATOM 235 CB LEU A 25 83.414 -1.823 -7.477 1.00 0.00 C ATOM 236 CG LEU A 25 84.060 -2.405 -6.227 1.00 0.00 C ATOM 237 CD1 LEU A 25 85.251 -3.249 -6.608 1.00 0.00 C ATOM 238 CD2 LEU A 25 84.463 -1.329 -5.256 1.00 0.00 C ATOM 0 H LEU A 25 82.188 -1.361 -9.730 1.00 0.00 H new ATOM 0 HA LEU A 25 83.533 -3.669 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 84.163 -1.256 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 82.638 -1.119 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 25 83.322 -3.033 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 25 85.707 -3.662 -5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 25 84.928 -4.063 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 25 85.980 -2.633 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 25 84.920 -1.784 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 25 85.179 -0.659 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 25 83.582 -0.763 -4.954 1.00 0.00 H new ATOM 250 N GLY A 26 80.412 -3.082 -8.452 1.00 0.00 N ATOM 251 CA GLY A 26 79.140 -3.596 -8.052 1.00 0.00 C ATOM 252 C GLY A 26 78.502 -2.754 -6.989 1.00 0.00 C ATOM 253 O GLY A 26 77.543 -3.172 -6.356 1.00 0.00 O ATOM 0 H GLY A 26 80.385 -2.458 -9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 26 78.481 -3.646 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 26 79.260 -4.615 -7.684 1.00 0.00 H new ATOM 257 N ILE A 27 79.018 -1.563 -6.780 1.00 0.00 N ATOM 258 CA ILE A 27 78.463 -0.684 -5.776 1.00 0.00 C ATOM 259 C ILE A 27 78.410 0.744 -6.230 1.00 0.00 C ATOM 260 O ILE A 27 79.228 1.199 -7.036 1.00 0.00 O ATOM 261 CB ILE A 27 79.179 -0.754 -4.391 1.00 0.00 C ATOM 262 CG1 ILE A 27 80.665 -0.407 -4.469 1.00 0.00 C ATOM 263 CG2 ILE A 27 78.986 -2.090 -3.745 1.00 0.00 C ATOM 264 CD1 ILE A 27 81.377 -0.626 -3.146 1.00 0.00 C ATOM 0 H ILE A 27 79.816 -1.183 -7.289 1.00 0.00 H new ATOM 0 HA ILE A 27 77.449 -1.060 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 27 78.707 0.007 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 27 81.138 -1.016 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 27 80.778 0.634 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 27 79.497 -2.106 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 27 77.922 -2.271 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 27 79.399 -2.868 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 27 82.430 -0.366 -3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 27 80.923 0.003 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 27 81.290 -1.673 -2.855 1.00 0.00 H new ATOM 276 N SER A 28 77.408 1.402 -5.779 1.00 0.00 N ATOM 277 CA SER A 28 77.234 2.805 -5.949 1.00 0.00 C ATOM 278 C SER A 28 77.489 3.480 -4.626 1.00 0.00 C ATOM 279 O SER A 28 76.989 3.018 -3.588 1.00 0.00 O ATOM 280 CB SER A 28 75.822 3.082 -6.403 1.00 0.00 C ATOM 281 OG SER A 28 75.642 2.759 -7.753 1.00 0.00 O ATOM 0 H SER A 28 76.650 0.962 -5.257 1.00 0.00 H new ATOM 0 HA SER A 28 77.928 3.186 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 28 75.124 2.507 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 28 75.589 4.135 -6.246 1.00 0.00 H new ATOM 0 HG SER A 28 74.882 3.263 -8.111 1.00 0.00 H new ATOM 287 N VAL A 29 78.234 4.551 -4.658 1.00 0.00 N ATOM 288 CA VAL A 29 78.628 5.267 -3.475 1.00 0.00 C ATOM 289 C VAL A 29 77.632 6.416 -3.208 1.00 0.00 C ATOM 290 O VAL A 29 76.827 6.771 -4.086 1.00 0.00 O ATOM 291 CB VAL A 29 80.074 5.817 -3.667 1.00 0.00 C ATOM 292 CG1 VAL A 29 80.636 6.492 -2.421 1.00 0.00 C ATOM 293 CG2 VAL A 29 81.019 4.726 -4.155 1.00 0.00 C ATOM 0 H VAL A 29 78.591 4.958 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 29 78.619 4.599 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 29 79.998 6.589 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 29 81.645 6.851 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 29 80.000 7.333 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 29 80.665 5.775 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 29 82.020 5.140 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 29 81.049 3.917 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 29 80.665 4.339 -5.111 1.00 0.00 H new ATOM 303 N THR A 30 77.677 6.963 -2.029 1.00 0.00 N ATOM 304 CA THR A 30 76.880 8.060 -1.621 1.00 0.00 C ATOM 305 C THR A 30 77.752 8.782 -0.615 1.00 0.00 C ATOM 306 O THR A 30 78.537 8.119 0.107 1.00 0.00 O ATOM 307 CB THR A 30 75.514 7.613 -0.984 1.00 0.00 C ATOM 308 OG1 THR A 30 74.610 8.724 -0.935 1.00 0.00 O ATOM 309 CG2 THR A 30 75.679 7.042 0.424 1.00 0.00 C ATOM 0 H THR A 30 78.305 6.632 -1.296 1.00 0.00 H new ATOM 0 HA THR A 30 76.589 8.688 -2.463 1.00 0.00 H new ATOM 0 HB THR A 30 75.115 6.822 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 30 73.908 8.546 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 30 74.704 6.750 0.815 1.00 0.00 H new ATOM 0 HG22 THR A 30 76.332 6.170 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 30 76.119 7.798 1.074 1.00 0.00 H new ATOM 317 N VAL A 31 77.730 10.081 -0.610 1.00 0.00 N ATOM 318 CA VAL A 31 78.602 10.789 0.271 1.00 0.00 C ATOM 319 C VAL A 31 77.886 11.687 1.222 1.00 0.00 C ATOM 320 O VAL A 31 76.961 12.422 0.846 1.00 0.00 O ATOM 321 CB VAL A 31 79.732 11.557 -0.457 1.00 0.00 C ATOM 322 CG1 VAL A 31 80.577 10.604 -1.249 1.00 0.00 C ATOM 323 CG2 VAL A 31 79.198 12.661 -1.349 1.00 0.00 C ATOM 0 H VAL A 31 77.129 10.661 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 31 79.074 10.002 0.859 1.00 0.00 H new ATOM 0 HB VAL A 31 80.345 12.034 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 31 81.368 11.155 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 31 81.020 9.867 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 31 79.957 10.096 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 31 80.030 13.169 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 31 78.541 12.232 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 31 78.639 13.377 -0.747 1.00 0.00 H new ATOM 333 N LEU A 32 78.285 11.602 2.444 1.00 0.00 N ATOM 334 CA LEU A 32 77.849 12.499 3.442 1.00 0.00 C ATOM 335 C LEU A 32 79.018 13.348 3.813 1.00 0.00 C ATOM 336 O LEU A 32 79.873 12.958 4.616 1.00 0.00 O ATOM 337 CB LEU A 32 77.281 11.799 4.672 1.00 0.00 C ATOM 338 CG LEU A 32 76.011 10.989 4.463 1.00 0.00 C ATOM 339 CD1 LEU A 32 75.509 10.453 5.788 1.00 0.00 C ATOM 340 CD2 LEU A 32 74.945 11.829 3.788 1.00 0.00 C ATOM 0 H LEU A 32 78.936 10.891 2.778 1.00 0.00 H new ATOM 0 HA LEU A 32 77.029 13.098 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 32 78.048 11.135 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 32 77.084 12.553 5.434 1.00 0.00 H new ATOM 0 HG LEU A 32 76.240 10.146 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 74.599 9.875 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 32 76.271 9.813 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 32 75.295 11.285 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 32 74.045 11.231 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.713 12.692 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.309 12.169 2.819 1.00 0.00 H new ATOM 352 N PHE A 33 79.091 14.455 3.180 1.00 0.00 N ATOM 353 CA PHE A 33 80.144 15.394 3.366 1.00 0.00 C ATOM 354 C PHE A 33 79.535 16.764 3.294 1.00 0.00 C ATOM 355 O PHE A 33 79.737 17.606 4.169 1.00 0.00 O ATOM 356 CB PHE A 33 81.235 15.198 2.298 1.00 0.00 C ATOM 357 CG PHE A 33 82.409 16.122 2.435 1.00 0.00 C ATOM 358 CD1 PHE A 33 83.251 16.033 3.528 1.00 0.00 C ATOM 359 CD2 PHE A 33 82.669 17.080 1.474 1.00 0.00 C ATOM 360 CE1 PHE A 33 84.330 16.879 3.659 1.00 0.00 C ATOM 361 CE2 PHE A 33 83.748 17.928 1.599 1.00 0.00 C ATOM 362 CZ PHE A 33 84.579 17.828 2.693 1.00 0.00 C ATOM 0 H PHE A 33 78.398 14.749 2.492 1.00 0.00 H new ATOM 0 HA PHE A 33 80.628 15.255 4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 33 81.591 14.169 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 33 80.791 15.338 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 33 83.060 15.291 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 33 82.019 17.165 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 33 84.980 16.798 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 33 83.942 18.671 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 33 85.424 18.493 2.793 1.00 0.00 H new ATOM 372 N ASP A 34 78.772 16.965 2.259 1.00 0.00 N ATOM 373 CA ASP A 34 78.002 18.165 2.095 1.00 0.00 C ATOM 374 C ASP A 34 76.726 18.026 2.917 1.00 0.00 C ATOM 375 O ASP A 34 76.366 16.907 3.330 1.00 0.00 O ATOM 376 CB ASP A 34 77.679 18.404 0.606 1.00 0.00 C ATOM 377 CG ASP A 34 76.909 17.270 -0.041 1.00 0.00 C ATOM 378 OD1 ASP A 34 75.662 17.291 -0.020 1.00 0.00 O ATOM 379 OD2 ASP A 34 77.540 16.332 -0.586 1.00 0.00 O ATOM 0 H ASP A 34 78.665 16.295 1.498 1.00 0.00 H new ATOM 0 HA ASP A 34 78.571 19.027 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 34 77.101 19.324 0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 34 78.611 18.556 0.061 1.00 0.00 H new ATOM 384 N LYS A 35 76.065 19.129 3.178 1.00 0.00 N ATOM 385 CA LYS A 35 74.849 19.129 3.979 1.00 0.00 C ATOM 386 C LYS A 35 73.705 18.473 3.210 1.00 0.00 C ATOM 387 O LYS A 35 73.199 19.037 2.238 1.00 0.00 O ATOM 388 CB LYS A 35 74.469 20.563 4.381 1.00 0.00 C ATOM 389 CG LYS A 35 73.222 20.666 5.252 1.00 0.00 C ATOM 390 CD LYS A 35 72.884 22.115 5.559 1.00 0.00 C ATOM 391 CE LYS A 35 71.624 22.239 6.409 1.00 0.00 C ATOM 392 NZ LYS A 35 70.426 21.680 5.741 1.00 0.00 N ATOM 0 H LYS A 35 76.348 20.051 2.846 1.00 0.00 H new ATOM 0 HA LYS A 35 75.034 18.553 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 35 75.307 21.012 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 35 74.315 21.152 3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.381 20.193 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.380 20.122 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.721 22.580 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 35 72.747 22.661 4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 35 71.779 21.725 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 35 71.449 23.290 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 69.573 21.967 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 70.374 22.038 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 70.489 20.642 5.726 1.00 0.00 H new ATOM 406 N GLY A 36 73.342 17.287 3.617 1.00 0.00 N ATOM 407 CA GLY A 36 72.269 16.561 2.994 1.00 0.00 C ATOM 408 C GLY A 36 72.267 15.140 3.480 1.00 0.00 C ATOM 409 O GLY A 36 73.093 14.796 4.339 1.00 0.00 O ATOM 0 H GLY A 36 73.784 16.795 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 36 71.315 17.035 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.383 16.584 1.910 1.00 0.00 H new ATOM 413 N GLY A 37 71.365 14.323 2.944 1.00 0.00 N ATOM 414 CA GLY A 37 71.269 12.925 3.328 1.00 0.00 C ATOM 415 C GLY A 37 70.908 12.754 4.789 1.00 0.00 C ATOM 416 O GLY A 37 69.948 13.381 5.283 1.00 0.00 O ATOM 0 H GLY A 37 70.687 14.611 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 37 70.519 12.432 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 37 72.220 12.430 3.131 1.00 0.00 H new ATOM 420 N VAL A 38 71.650 11.910 5.478 1.00 0.00 N ATOM 421 CA VAL A 38 71.468 11.722 6.902 1.00 0.00 C ATOM 422 C VAL A 38 72.224 12.822 7.617 1.00 0.00 C ATOM 423 O VAL A 38 73.459 12.891 7.543 1.00 0.00 O ATOM 424 CB VAL A 38 71.983 10.344 7.389 1.00 0.00 C ATOM 425 CG1 VAL A 38 71.676 10.143 8.873 1.00 0.00 C ATOM 426 CG2 VAL A 38 71.380 9.225 6.567 1.00 0.00 C ATOM 0 H VAL A 38 72.390 11.340 5.070 1.00 0.00 H new ATOM 0 HA VAL A 38 70.401 11.759 7.122 1.00 0.00 H new ATOM 0 HB VAL A 38 73.065 10.322 7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.047 9.169 9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 38 72.163 10.925 9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.599 10.191 9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.755 8.267 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.294 9.248 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 38 71.656 9.353 5.520 1.00 0.00 H new ATOM 436 N ASN A 39 71.512 13.685 8.287 1.00 0.00 N ATOM 437 CA ASN A 39 72.152 14.808 8.907 1.00 0.00 C ATOM 438 C ASN A 39 71.617 15.067 10.300 1.00 0.00 C ATOM 439 O ASN A 39 70.534 15.648 10.468 1.00 0.00 O ATOM 440 CB ASN A 39 71.976 16.060 8.039 1.00 0.00 C ATOM 441 CG ASN A 39 72.795 17.241 8.519 1.00 0.00 C ATOM 442 OD1 ASN A 39 72.354 18.047 9.347 1.00 0.00 O ATOM 443 ND2 ASN A 39 73.988 17.351 7.997 1.00 0.00 N ATOM 0 H ASN A 39 70.502 13.633 8.416 1.00 0.00 H new ATOM 0 HA ASN A 39 73.212 14.571 8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 39 72.257 15.825 7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 39 70.922 16.339 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 39 74.595 18.124 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 39 74.312 16.664 7.317 1.00 0.00 H new ATOM 450 N THR A 40 72.324 14.585 11.293 1.00 0.00 N ATOM 451 CA THR A 40 72.004 14.897 12.656 1.00 0.00 C ATOM 452 C THR A 40 72.505 16.311 12.929 1.00 0.00 C ATOM 453 O THR A 40 71.749 17.192 13.362 1.00 0.00 O ATOM 454 CB THR A 40 72.661 13.875 13.593 1.00 0.00 C ATOM 455 OG1 THR A 40 74.010 13.642 13.153 1.00 0.00 O ATOM 456 CG2 THR A 40 71.889 12.565 13.589 1.00 0.00 C ATOM 0 H THR A 40 73.130 13.971 11.176 1.00 0.00 H new ATOM 0 HA THR A 40 70.929 14.849 12.832 1.00 0.00 H new ATOM 0 HB THR A 40 72.659 14.270 14.609 1.00 0.00 H new ATOM 0 HG1 THR A 40 74.026 12.880 12.536 1.00 0.00 H new ATOM 0 HG21 THR A 40 72.373 11.855 14.260 1.00 0.00 H new ATOM 0 HG22 THR A 40 70.868 12.744 13.925 1.00 0.00 H new ATOM 0 HG23 THR A 40 71.872 12.156 12.579 1.00 0.00 H new ATOM 464 N SER A 41 73.761 16.517 12.614 1.00 0.00 N ATOM 465 CA SER A 41 74.389 17.806 12.623 1.00 0.00 C ATOM 466 C SER A 41 75.679 17.683 11.838 1.00 0.00 C ATOM 467 O SER A 41 75.968 18.483 10.943 1.00 0.00 O ATOM 468 CB SER A 41 74.641 18.330 14.049 1.00 0.00 C ATOM 469 OG SER A 41 74.988 19.708 14.026 1.00 0.00 O ATOM 0 H SER A 41 74.390 15.764 12.336 1.00 0.00 H new ATOM 0 HA SER A 41 73.727 18.540 12.163 1.00 0.00 H new ATOM 0 HB2 SER A 41 73.748 18.185 14.658 1.00 0.00 H new ATOM 0 HB3 SER A 41 75.442 17.756 14.516 1.00 0.00 H new ATOM 0 HG SER A 41 75.142 20.022 14.941 1.00 0.00 H new ATOM 475 N VAL A 42 76.444 16.679 12.158 1.00 0.00 N ATOM 476 CA VAL A 42 77.625 16.369 11.402 1.00 0.00 C ATOM 477 C VAL A 42 77.316 15.106 10.582 1.00 0.00 C ATOM 478 O VAL A 42 76.298 14.440 10.832 1.00 0.00 O ATOM 479 CB VAL A 42 78.876 16.172 12.330 1.00 0.00 C ATOM 480 CG1 VAL A 42 78.767 14.932 13.195 1.00 0.00 C ATOM 481 CG2 VAL A 42 80.186 16.193 11.542 1.00 0.00 C ATOM 0 H VAL A 42 76.269 16.055 12.946 1.00 0.00 H new ATOM 0 HA VAL A 42 77.881 17.197 10.741 1.00 0.00 H new ATOM 0 HB VAL A 42 78.891 17.027 13.005 1.00 0.00 H new ATOM 0 HG11 VAL A 42 79.658 14.843 13.817 1.00 0.00 H new ATOM 0 HG12 VAL A 42 77.886 15.009 13.832 1.00 0.00 H new ATOM 0 HG13 VAL A 42 78.679 14.051 12.559 1.00 0.00 H new ATOM 0 HG21 VAL A 42 81.024 16.053 12.225 1.00 0.00 H new ATOM 0 HG22 VAL A 42 80.180 15.390 10.805 1.00 0.00 H new ATOM 0 HG23 VAL A 42 80.289 17.151 11.033 1.00 0.00 H new ATOM 491 N ARG A 43 78.141 14.796 9.623 1.00 0.00 N ATOM 492 CA ARG A 43 77.910 13.672 8.744 1.00 0.00 C ATOM 493 C ARG A 43 78.753 12.489 9.203 1.00 0.00 C ATOM 494 O ARG A 43 79.903 12.674 9.623 1.00 0.00 O ATOM 495 CB ARG A 43 78.255 14.038 7.284 1.00 0.00 C ATOM 496 CG ARG A 43 77.352 15.085 6.586 1.00 0.00 C ATOM 497 CD ARG A 43 77.420 16.476 7.218 1.00 0.00 C ATOM 498 NE ARG A 43 78.791 17.015 7.271 1.00 0.00 N ATOM 499 CZ ARG A 43 79.141 18.190 7.818 1.00 0.00 C ATOM 500 NH1 ARG A 43 78.214 19.001 8.298 1.00 0.00 N ATOM 501 NH2 ARG A 43 80.420 18.554 7.863 1.00 0.00 N ATOM 0 H ARG A 43 78.997 15.314 9.423 1.00 0.00 H new ATOM 0 HA ARG A 43 76.854 13.404 8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 43 79.280 14.407 7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 43 78.232 13.123 6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 43 77.640 15.158 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 43 76.320 14.735 6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 43 76.788 17.159 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 43 77.013 16.431 8.228 1.00 0.00 H new ATOM 0 HE ARG A 43 79.533 16.450 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 77.230 18.735 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 43 78.482 19.893 8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 43 81.139 17.939 7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 43 80.682 19.448 8.279 1.00 0.00 H new ATOM 515 N HIS A 44 78.193 11.292 9.142 1.00 0.00 N ATOM 516 CA HIS A 44 78.905 10.103 9.580 1.00 0.00 C ATOM 517 C HIS A 44 79.817 9.519 8.499 1.00 0.00 C ATOM 518 O HIS A 44 79.368 9.123 7.412 1.00 0.00 O ATOM 519 CB HIS A 44 77.962 9.027 10.198 1.00 0.00 C ATOM 520 CG HIS A 44 76.792 8.559 9.346 1.00 0.00 C ATOM 521 ND1 HIS A 44 75.502 8.853 9.701 1.00 0.00 N ATOM 522 CD2 HIS A 44 76.770 7.773 8.240 1.00 0.00 C ATOM 523 CE1 HIS A 44 74.732 8.242 8.814 1.00 0.00 C ATOM 524 NE2 HIS A 44 75.454 7.575 7.912 1.00 0.00 N ATOM 0 H HIS A 44 77.250 11.118 8.794 1.00 0.00 H new ATOM 0 HA HIS A 44 79.561 10.437 10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 44 78.565 8.155 10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 44 77.563 9.423 11.132 1.00 0.00 H new ATOM 0 HD2 HIS A 44 77.628 7.378 7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 44 73.653 8.279 8.820 1.00 0.00 H new ATOM 0 HE2 HIS A 44 75.097 7.025 7.131 1.00 0.00 H new ATOM 532 N GLY A 45 81.097 9.500 8.799 1.00 0.00 N ATOM 533 CA GLY A 45 82.087 8.943 7.917 1.00 0.00 C ATOM 534 C GLY A 45 82.343 9.838 6.739 1.00 0.00 C ATOM 535 O GLY A 45 83.191 10.738 6.791 1.00 0.00 O ATOM 0 H GLY A 45 81.478 9.874 9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 45 83.016 8.786 8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 45 81.755 7.966 7.567 1.00 0.00 H new ATOM 539 N GLY A 46 81.585 9.643 5.711 1.00 0.00 N ATOM 540 CA GLY A 46 81.743 10.409 4.528 1.00 0.00 C ATOM 541 C GLY A 46 81.364 9.619 3.336 1.00 0.00 C ATOM 542 O GLY A 46 80.575 10.056 2.530 1.00 0.00 O ATOM 0 H GLY A 46 80.840 8.947 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 46 81.127 11.307 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 46 82.778 10.738 4.438 1.00 0.00 H new ATOM 546 N ILE A 47 81.870 8.432 3.261 1.00 0.00 N ATOM 547 CA ILE A 47 81.646 7.585 2.126 1.00 0.00 C ATOM 548 C ILE A 47 80.868 6.384 2.558 1.00 0.00 C ATOM 549 O ILE A 47 81.129 5.847 3.635 1.00 0.00 O ATOM 550 CB ILE A 47 83.008 7.102 1.545 1.00 0.00 C ATOM 551 CG1 ILE A 47 83.836 8.289 1.087 1.00 0.00 C ATOM 552 CG2 ILE A 47 82.820 6.106 0.396 1.00 0.00 C ATOM 553 CD1 ILE A 47 83.215 9.034 -0.043 1.00 0.00 C ATOM 0 H ILE A 47 82.454 8.016 3.987 1.00 0.00 H new ATOM 0 HA ILE A 47 81.099 8.145 1.368 1.00 0.00 H new ATOM 0 HB ILE A 47 83.539 6.582 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 47 83.981 8.969 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 47 84.824 7.940 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 47 83.795 5.795 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 47 82.275 5.233 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 47 82.256 6.580 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 47 83.856 9.870 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 47 83.095 8.367 -0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 47 82.239 9.411 0.263 1.00 0.00 H new ATOM 565 N TYR A 48 79.879 6.007 1.782 1.00 0.00 N ATOM 566 CA TYR A 48 79.224 4.740 1.990 1.00 0.00 C ATOM 567 C TYR A 48 78.506 4.241 0.767 1.00 0.00 C ATOM 568 O TYR A 48 78.366 4.963 -0.219 1.00 0.00 O ATOM 569 CB TYR A 48 78.372 4.642 3.275 1.00 0.00 C ATOM 570 CG TYR A 48 77.126 5.456 3.433 1.00 0.00 C ATOM 571 CD1 TYR A 48 77.163 6.784 3.821 1.00 0.00 C ATOM 572 CD2 TYR A 48 75.893 4.845 3.290 1.00 0.00 C ATOM 573 CE1 TYR A 48 75.995 7.477 4.055 1.00 0.00 C ATOM 574 CE2 TYR A 48 74.731 5.530 3.505 1.00 0.00 C ATOM 575 CZ TYR A 48 74.781 6.843 3.892 1.00 0.00 C ATOM 576 OH TYR A 48 73.605 7.517 4.145 1.00 0.00 O ATOM 0 H TYR A 48 79.513 6.557 1.005 1.00 0.00 H new ATOM 0 HA TYR A 48 80.046 4.048 2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 48 78.088 3.596 3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 48 79.025 4.890 4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 48 78.114 7.281 3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 48 75.848 3.805 3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 48 76.030 8.511 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 48 73.778 5.039 3.371 1.00 0.00 H new ATOM 0 HH TYR A 48 72.844 6.922 3.979 1.00 0.00 H new ATOM 586 N VAL A 49 78.083 3.007 0.830 1.00 0.00 N ATOM 587 CA VAL A 49 77.412 2.342 -0.251 1.00 0.00 C ATOM 588 C VAL A 49 75.953 2.748 -0.273 1.00 0.00 C ATOM 589 O VAL A 49 75.226 2.568 0.707 1.00 0.00 O ATOM 590 CB VAL A 49 77.511 0.820 -0.074 1.00 0.00 C ATOM 591 CG1 VAL A 49 76.941 0.081 -1.274 1.00 0.00 C ATOM 592 CG2 VAL A 49 78.949 0.421 0.192 1.00 0.00 C ATOM 0 H VAL A 49 78.199 2.422 1.657 1.00 0.00 H new ATOM 0 HA VAL A 49 77.886 2.628 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 49 76.909 0.534 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 49 77.028 -0.994 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 49 75.891 0.346 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 49 77.495 0.360 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 49 79.010 -0.660 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.572 0.725 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 49 79.300 0.911 1.100 1.00 0.00 H new ATOM 602 N LYS A 50 75.548 3.293 -1.374 1.00 0.00 N ATOM 603 CA LYS A 50 74.199 3.710 -1.578 1.00 0.00 C ATOM 604 C LYS A 50 73.411 2.580 -2.200 1.00 0.00 C ATOM 605 O LYS A 50 72.262 2.348 -1.840 1.00 0.00 O ATOM 606 CB LYS A 50 74.156 4.932 -2.496 1.00 0.00 C ATOM 607 CG LYS A 50 72.764 5.509 -2.689 1.00 0.00 C ATOM 608 CD LYS A 50 72.172 6.005 -1.376 1.00 0.00 C ATOM 609 CE LYS A 50 70.784 6.580 -1.584 1.00 0.00 C ATOM 610 NZ LYS A 50 70.159 6.995 -0.318 1.00 0.00 N ATOM 0 H LYS A 50 76.158 3.464 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 50 73.761 3.976 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 50 74.805 5.705 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 50 74.563 4.657 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 50 72.807 6.332 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 50 72.111 4.749 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 50 72.125 5.183 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 50 72.823 6.765 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 50 70.844 7.437 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 50 70.154 5.836 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 69.212 7.382 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 70.077 6.173 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 70.746 7.724 0.136 1.00 0.00 H new ATOM 624 N ALA A 51 74.037 1.848 -3.100 1.00 0.00 N ATOM 625 CA ALA A 51 73.316 0.803 -3.819 1.00 0.00 C ATOM 626 C ALA A 51 74.251 -0.262 -4.334 1.00 0.00 C ATOM 627 O ALA A 51 75.452 -0.020 -4.497 1.00 0.00 O ATOM 628 CB ALA A 51 72.519 1.404 -4.977 1.00 0.00 C ATOM 0 H ALA A 51 75.020 1.949 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 51 72.628 0.335 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 51 71.987 0.611 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.801 2.127 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 51 73.200 1.904 -5.667 1.00 0.00 H new ATOM 634 N ILE A 52 73.701 -1.419 -4.593 1.00 0.00 N ATOM 635 CA ILE A 52 74.434 -2.539 -5.126 1.00 0.00 C ATOM 636 C ILE A 52 74.104 -2.682 -6.591 1.00 0.00 C ATOM 637 O ILE A 52 72.934 -2.863 -6.967 1.00 0.00 O ATOM 638 CB ILE A 52 74.095 -3.856 -4.376 1.00 0.00 C ATOM 639 CG1 ILE A 52 74.469 -3.724 -2.907 1.00 0.00 C ATOM 640 CG2 ILE A 52 74.801 -5.057 -5.002 1.00 0.00 C ATOM 641 CD1 ILE A 52 75.921 -3.376 -2.686 1.00 0.00 C ATOM 0 H ILE A 52 72.712 -1.614 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 52 75.500 -2.353 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 52 73.022 -4.028 -4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 52 73.845 -2.956 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 52 74.246 -4.662 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 52 74.540 -5.960 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 52 74.488 -5.162 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 52 75.880 -4.906 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 52 76.118 -3.298 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 52 76.551 -4.155 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 52 76.144 -2.423 -3.167 1.00 0.00 H new ATOM 653 N ILE A 53 75.102 -2.540 -7.396 1.00 0.00 N ATOM 654 CA ILE A 53 74.989 -2.629 -8.823 1.00 0.00 C ATOM 655 C ILE A 53 75.288 -4.061 -9.249 1.00 0.00 C ATOM 656 O ILE A 53 76.235 -4.669 -8.753 1.00 0.00 O ATOM 657 CB ILE A 53 76.003 -1.650 -9.497 1.00 0.00 C ATOM 658 CG1 ILE A 53 75.811 -0.226 -8.961 1.00 0.00 C ATOM 659 CG2 ILE A 53 75.900 -1.668 -11.017 1.00 0.00 C ATOM 660 CD1 ILE A 53 74.404 0.327 -9.120 1.00 0.00 C ATOM 0 H ILE A 53 76.052 -2.353 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 53 73.981 -2.355 -9.133 1.00 0.00 H new ATOM 0 HB ILE A 53 77.004 -1.995 -9.239 1.00 0.00 H new ATOM 0 HG12 ILE A 53 76.075 -0.211 -7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 53 76.508 0.438 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 53 76.624 -0.972 -11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 53 76.107 -2.673 -11.384 1.00 0.00 H new ATOM 0 HG23 ILE A 53 74.895 -1.372 -11.317 1.00 0.00 H new ATOM 0 HD11 ILE A 53 74.362 1.338 -8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 53 74.139 0.350 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 53 73.700 -0.309 -8.583 1.00 0.00 H new ATOM 672 N PRO A 54 74.469 -4.629 -10.129 1.00 0.00 N ATOM 673 CA PRO A 54 74.666 -5.983 -10.631 1.00 0.00 C ATOM 674 C PRO A 54 75.846 -6.074 -11.598 1.00 0.00 C ATOM 675 O PRO A 54 76.625 -5.107 -11.752 1.00 0.00 O ATOM 676 CB PRO A 54 73.372 -6.278 -11.401 1.00 0.00 C ATOM 677 CG PRO A 54 72.425 -5.196 -11.011 1.00 0.00 C ATOM 678 CD PRO A 54 73.269 -4.017 -10.701 1.00 0.00 C ATOM 0 HA PRO A 54 74.878 -6.679 -9.819 1.00 0.00 H new ATOM 0 HB2 PRO A 54 73.546 -6.279 -12.477 1.00 0.00 H new ATOM 0 HB3 PRO A 54 72.975 -7.260 -11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 54 71.727 -4.976 -11.819 1.00 0.00 H new ATOM 0 HG3 PRO A 54 71.830 -5.490 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 54 73.497 -3.435 -11.594 1.00 0.00 H new ATOM 0 HD3 PRO A 54 72.782 -3.343 -9.996 1.00 0.00 H new ATOM 686 N LYS A 55 75.976 -7.266 -12.209 1.00 0.00 N ATOM 687 CA LYS A 55 76.962 -7.613 -13.237 1.00 0.00 C ATOM 688 C LYS A 55 78.200 -8.224 -12.567 1.00 0.00 C ATOM 689 O LYS A 55 79.214 -8.544 -13.208 1.00 0.00 O ATOM 690 CB LYS A 55 77.281 -6.424 -14.174 1.00 0.00 C ATOM 691 CG LYS A 55 78.066 -6.754 -15.409 1.00 0.00 C ATOM 692 CD LYS A 55 77.285 -7.605 -16.386 1.00 0.00 C ATOM 693 CE LYS A 55 78.101 -7.859 -17.646 1.00 0.00 C ATOM 694 NZ LYS A 55 77.369 -8.684 -18.629 1.00 0.00 N ATOM 0 H LYS A 55 75.363 -8.050 -11.984 1.00 0.00 H new ATOM 0 HA LYS A 55 76.538 -8.368 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.341 -5.963 -14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.834 -5.676 -13.605 1.00 0.00 H new ATOM 0 HG2 LYS A 55 78.369 -5.829 -15.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 78.979 -7.278 -15.125 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.021 -8.554 -15.920 1.00 0.00 H new ATOM 0 HD3 LYS A 55 76.351 -7.106 -16.645 1.00 0.00 H new ATOM 0 HE2 LYS A 55 78.368 -6.906 -18.102 1.00 0.00 H new ATOM 0 HE3 LYS A 55 79.033 -8.357 -17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 77.963 -8.831 -19.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 77.136 -9.604 -18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 76.492 -8.198 -18.905 1.00 0.00 H new ATOM 708 N GLY A 56 78.086 -8.412 -11.268 1.00 0.00 N ATOM 709 CA GLY A 56 79.096 -9.100 -10.522 1.00 0.00 C ATOM 710 C GLY A 56 79.622 -8.306 -9.368 1.00 0.00 C ATOM 711 O GLY A 56 78.962 -7.374 -8.889 1.00 0.00 O ATOM 0 H GLY A 56 77.293 -8.091 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 56 78.687 -10.040 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 56 79.922 -9.352 -11.188 1.00 0.00 H new ATOM 715 N ALA A 57 80.761 -8.743 -8.865 1.00 0.00 N ATOM 716 CA ALA A 57 81.535 -8.055 -7.875 1.00 0.00 C ATOM 717 C ALA A 57 80.915 -8.058 -6.474 1.00 0.00 C ATOM 718 O ALA A 57 80.775 -9.128 -5.877 1.00 0.00 O ATOM 719 CB ALA A 57 81.948 -6.688 -8.356 1.00 0.00 C ATOM 0 H ALA A 57 81.182 -9.626 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 57 82.449 -8.634 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 57 82.534 -6.192 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 57 82.550 -6.787 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 57 81.060 -6.095 -8.575 1.00 0.00 H new ATOM 725 N ALA A 58 80.511 -6.882 -5.961 1.00 0.00 N ATOM 726 CA ALA A 58 80.010 -6.765 -4.580 1.00 0.00 C ATOM 727 C ALA A 58 78.783 -7.622 -4.365 1.00 0.00 C ATOM 728 O ALA A 58 78.639 -8.269 -3.313 1.00 0.00 O ATOM 729 CB ALA A 58 79.739 -5.307 -4.205 1.00 0.00 C ATOM 0 H ALA A 58 80.521 -6.003 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 58 80.792 -7.135 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 58 79.371 -5.257 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 58 80.662 -4.733 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 58 78.991 -4.891 -4.880 1.00 0.00 H new ATOM 735 N GLU A 59 77.939 -7.636 -5.372 1.00 0.00 N ATOM 736 CA GLU A 59 76.719 -8.402 -5.428 1.00 0.00 C ATOM 737 C GLU A 59 77.037 -9.899 -5.428 1.00 0.00 C ATOM 738 O GLU A 59 76.580 -10.650 -4.554 1.00 0.00 O ATOM 739 CB GLU A 59 75.972 -7.991 -6.739 1.00 0.00 C ATOM 740 CG GLU A 59 74.580 -8.602 -7.002 1.00 0.00 C ATOM 741 CD GLU A 59 74.592 -10.098 -7.223 1.00 0.00 C ATOM 742 OE1 GLU A 59 75.162 -10.565 -8.243 1.00 0.00 O ATOM 743 OE2 GLU A 59 74.047 -10.832 -6.371 1.00 0.00 O ATOM 0 H GLU A 59 78.095 -7.085 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 59 76.092 -8.202 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 59 75.865 -6.906 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 59 76.613 -8.246 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 59 73.931 -8.376 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 59 74.143 -8.120 -7.877 1.00 0.00 H new ATOM 750 N SER A 60 77.847 -10.312 -6.383 1.00 0.00 N ATOM 751 CA SER A 60 78.086 -11.708 -6.616 1.00 0.00 C ATOM 752 C SER A 60 78.962 -12.343 -5.553 1.00 0.00 C ATOM 753 O SER A 60 78.729 -13.480 -5.165 1.00 0.00 O ATOM 754 CB SER A 60 78.617 -11.913 -8.018 1.00 0.00 C ATOM 755 OG SER A 60 77.717 -11.318 -8.957 1.00 0.00 O ATOM 0 H SER A 60 78.352 -9.687 -7.012 1.00 0.00 H new ATOM 0 HA SER A 60 77.133 -12.231 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 60 79.607 -11.467 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 60 78.726 -12.977 -8.226 1.00 0.00 H new ATOM 0 HG SER A 60 76.853 -11.154 -8.524 1.00 0.00 H new ATOM 761 N ASP A 61 79.946 -11.611 -5.054 1.00 0.00 N ATOM 762 CA ASP A 61 80.774 -12.130 -3.961 1.00 0.00 C ATOM 763 C ASP A 61 79.940 -12.075 -2.693 1.00 0.00 C ATOM 764 O ASP A 61 80.079 -12.896 -1.774 1.00 0.00 O ATOM 765 CB ASP A 61 82.058 -11.305 -3.781 1.00 0.00 C ATOM 766 CG ASP A 61 83.106 -12.022 -2.930 1.00 0.00 C ATOM 767 OD1 ASP A 61 83.005 -12.030 -1.693 1.00 0.00 O ATOM 768 OD2 ASP A 61 84.066 -12.603 -3.515 1.00 0.00 O ATOM 0 H ASP A 61 80.193 -10.675 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 61 81.081 -13.151 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.482 -11.082 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.810 -10.351 -3.316 1.00 0.00 H new ATOM 773 N GLY A 62 79.031 -11.110 -2.688 1.00 0.00 N ATOM 774 CA GLY A 62 78.093 -10.927 -1.626 1.00 0.00 C ATOM 775 C GLY A 62 78.737 -10.428 -0.381 1.00 0.00 C ATOM 776 O GLY A 62 78.574 -11.006 0.691 1.00 0.00 O ATOM 0 H GLY A 62 78.936 -10.429 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 62 77.324 -10.222 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 62 77.593 -11.873 -1.419 1.00 0.00 H new ATOM 780 N ARG A 63 79.496 -9.379 -0.517 1.00 0.00 N ATOM 781 CA ARG A 63 80.160 -8.789 0.628 1.00 0.00 C ATOM 782 C ARG A 63 79.486 -7.528 1.039 1.00 0.00 C ATOM 783 O ARG A 63 79.061 -7.367 2.177 1.00 0.00 O ATOM 784 CB ARG A 63 81.630 -8.494 0.333 1.00 0.00 C ATOM 785 CG ARG A 63 82.507 -9.709 0.122 1.00 0.00 C ATOM 786 CD ARG A 63 82.662 -10.554 1.391 1.00 0.00 C ATOM 787 NE ARG A 63 81.411 -11.190 1.816 1.00 0.00 N ATOM 788 CZ ARG A 63 80.996 -11.322 3.084 1.00 0.00 C ATOM 789 NH1 ARG A 63 81.691 -10.776 4.084 1.00 0.00 N ATOM 790 NH2 ARG A 63 79.857 -11.948 3.340 1.00 0.00 N ATOM 0 H ARG A 63 79.675 -8.909 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 63 80.102 -9.515 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.686 -7.868 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.039 -7.911 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.082 -10.325 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 63 83.491 -9.387 -0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.413 -11.324 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 63 83.034 -9.922 2.198 1.00 0.00 H new ATOM 0 HE ARG A 63 80.805 -11.564 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 63 82.545 -10.254 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 63 81.369 -10.881 5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 63 79.300 -12.327 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 63 79.537 -12.051 4.303 1.00 0.00 H new ATOM 804 N ILE A 64 79.403 -6.640 0.116 1.00 0.00 N ATOM 805 CA ILE A 64 78.867 -5.357 0.363 1.00 0.00 C ATOM 806 C ILE A 64 77.391 -5.323 -0.006 1.00 0.00 C ATOM 807 O ILE A 64 76.955 -6.009 -0.947 1.00 0.00 O ATOM 808 CB ILE A 64 79.650 -4.313 -0.459 1.00 0.00 C ATOM 809 CG1 ILE A 64 81.152 -4.456 -0.177 1.00 0.00 C ATOM 810 CG2 ILE A 64 79.192 -2.916 -0.110 1.00 0.00 C ATOM 811 CD1 ILE A 64 82.023 -3.595 -1.050 1.00 0.00 C ATOM 0 H ILE A 64 79.711 -6.789 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 64 78.959 -5.123 1.424 1.00 0.00 H new ATOM 0 HB ILE A 64 79.462 -4.486 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.341 -4.205 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 64 81.439 -5.499 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 64 79.754 -2.191 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 64 78.129 -2.816 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.362 -2.732 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 64 83.069 -3.753 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 64 81.866 -3.860 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 64 81.766 -2.547 -0.899 1.00 0.00 H new ATOM 823 N HIS A 65 76.639 -4.586 0.767 1.00 0.00 N ATOM 824 CA HIS A 65 75.249 -4.321 0.514 1.00 0.00 C ATOM 825 C HIS A 65 75.047 -2.832 0.803 1.00 0.00 C ATOM 826 O HIS A 65 75.958 -2.192 1.364 1.00 0.00 O ATOM 827 CB HIS A 65 74.308 -5.216 1.370 1.00 0.00 C ATOM 828 CG HIS A 65 74.309 -4.916 2.834 1.00 0.00 C ATOM 829 ND1 HIS A 65 73.199 -4.407 3.456 1.00 0.00 N ATOM 830 CD2 HIS A 65 75.304 -5.028 3.726 1.00 0.00 C ATOM 831 CE1 HIS A 65 73.556 -4.210 4.706 1.00 0.00 C ATOM 832 NE2 HIS A 65 74.825 -4.567 4.915 1.00 0.00 N ATOM 0 H HIS A 65 76.988 -4.140 1.616 1.00 0.00 H new ATOM 0 HA HIS A 65 74.990 -4.561 -0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 65 73.290 -5.111 0.994 1.00 0.00 H new ATOM 0 HB3 HIS A 65 74.594 -6.258 1.228 1.00 0.00 H new ATOM 0 HD1 HIS A 65 72.288 -4.220 3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 65 76.296 -5.411 3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 65 72.904 -3.809 5.468 1.00 0.00 H new ATOM 840 N LYS A 66 73.913 -2.286 0.432 1.00 0.00 N ATOM 841 CA LYS A 66 73.673 -0.856 0.599 1.00 0.00 C ATOM 842 C LYS A 66 73.622 -0.470 2.088 1.00 0.00 C ATOM 843 O LYS A 66 73.122 -1.229 2.934 1.00 0.00 O ATOM 844 CB LYS A 66 72.366 -0.435 -0.102 1.00 0.00 C ATOM 845 CG LYS A 66 71.107 -0.939 0.581 1.00 0.00 C ATOM 846 CD LYS A 66 69.847 -0.577 -0.172 1.00 0.00 C ATOM 847 CE LYS A 66 68.613 -0.941 0.645 1.00 0.00 C ATOM 848 NZ LYS A 66 68.617 -2.363 1.072 1.00 0.00 N ATOM 0 H LYS A 66 73.139 -2.801 0.013 1.00 0.00 H new ATOM 0 HA LYS A 66 74.506 -0.326 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 66 72.328 0.653 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 66 72.382 -0.802 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 66 71.164 -2.023 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 66 71.055 -0.525 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 69.842 0.490 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 66 69.825 -1.100 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 66 68.561 -0.300 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 66 67.718 -0.744 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 67.684 -2.612 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 68.826 -2.970 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 69.343 -2.504 1.803 1.00 0.00 H new ATOM 862 N GLY A 67 74.161 0.672 2.411 1.00 0.00 N ATOM 863 CA GLY A 67 74.083 1.144 3.757 1.00 0.00 C ATOM 864 C GLY A 67 75.410 1.189 4.461 1.00 0.00 C ATOM 865 O GLY A 67 75.686 2.157 5.158 1.00 0.00 O ATOM 0 H GLY A 67 74.655 1.286 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 67 73.648 2.143 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 67 73.405 0.501 4.319 1.00 0.00 H new ATOM 869 N ASP A 68 76.250 0.174 4.260 1.00 0.00 N ATOM 870 CA ASP A 68 77.514 0.107 5.007 1.00 0.00 C ATOM 871 C ASP A 68 78.476 1.193 4.640 1.00 0.00 C ATOM 872 O ASP A 68 78.571 1.599 3.468 1.00 0.00 O ATOM 873 CB ASP A 68 78.151 -1.277 5.080 1.00 0.00 C ATOM 874 CG ASP A 68 77.499 -2.140 6.149 1.00 0.00 C ATOM 875 OD1 ASP A 68 77.723 -1.896 7.356 1.00 0.00 O ATOM 876 OD2 ASP A 68 76.766 -3.073 5.820 1.00 0.00 O ATOM 0 H ASP A 68 76.090 -0.594 3.608 1.00 0.00 H new ATOM 0 HA ASP A 68 77.221 0.306 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.064 -1.769 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.215 -1.177 5.292 1.00 0.00 H new ATOM 881 N ARG A 69 79.201 1.646 5.638 1.00 0.00 N ATOM 882 CA ARG A 69 79.947 2.866 5.565 1.00 0.00 C ATOM 883 C ARG A 69 81.431 2.606 5.338 1.00 0.00 C ATOM 884 O ARG A 69 81.976 1.623 5.799 1.00 0.00 O ATOM 885 CB ARG A 69 79.674 3.638 6.854 1.00 0.00 C ATOM 886 CG ARG A 69 80.005 5.113 6.832 1.00 0.00 C ATOM 887 CD ARG A 69 79.482 5.774 8.098 1.00 0.00 C ATOM 888 NE ARG A 69 80.112 5.240 9.302 1.00 0.00 N ATOM 889 CZ ARG A 69 79.487 4.890 10.439 1.00 0.00 C ATOM 890 NH1 ARG A 69 78.160 4.854 10.503 1.00 0.00 N ATOM 891 NH2 ARG A 69 80.205 4.536 11.499 1.00 0.00 N ATOM 0 H ARG A 69 79.285 1.164 6.533 1.00 0.00 H new ATOM 0 HA ARG A 69 79.632 3.460 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 69 78.618 3.528 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 69 80.241 3.172 7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 69 81.083 5.253 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 69 79.560 5.582 5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 69 79.659 6.848 8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 69 78.403 5.631 8.161 1.00 0.00 H new ATOM 0 HE ARG A 69 81.125 5.121 9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 69 77.603 5.094 9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 69 77.698 4.587 11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 69 81.224 4.531 11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 69 79.738 4.269 12.365 1.00 0.00 H new ATOM 905 N VAL A 70 82.073 3.521 4.668 1.00 0.00 N ATOM 906 CA VAL A 70 83.442 3.372 4.250 1.00 0.00 C ATOM 907 C VAL A 70 84.291 4.412 4.952 1.00 0.00 C ATOM 908 O VAL A 70 83.925 5.591 5.036 1.00 0.00 O ATOM 909 CB VAL A 70 83.575 3.537 2.705 1.00 0.00 C ATOM 910 CG1 VAL A 70 84.973 3.202 2.232 1.00 0.00 C ATOM 911 CG2 VAL A 70 82.544 2.691 1.962 1.00 0.00 C ATOM 0 H VAL A 70 81.653 4.408 4.391 1.00 0.00 H new ATOM 0 HA VAL A 70 83.783 2.371 4.515 1.00 0.00 H new ATOM 0 HB VAL A 70 83.381 4.585 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 70 85.031 3.327 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 70 85.689 3.868 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 70 85.207 2.169 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 70 82.665 2.830 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 70 82.689 1.640 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 70 81.541 2.998 2.257 1.00 0.00 H new ATOM 921 N LEU A 71 85.390 3.962 5.471 1.00 0.00 N ATOM 922 CA LEU A 71 86.335 4.797 6.163 1.00 0.00 C ATOM 923 C LEU A 71 87.426 5.209 5.205 1.00 0.00 C ATOM 924 O LEU A 71 87.912 6.365 5.229 1.00 0.00 O ATOM 925 CB LEU A 71 86.949 4.028 7.339 1.00 0.00 C ATOM 926 CG LEU A 71 86.033 3.751 8.524 1.00 0.00 C ATOM 927 CD1 LEU A 71 86.713 2.810 9.506 1.00 0.00 C ATOM 928 CD2 LEU A 71 85.699 5.055 9.223 1.00 0.00 C ATOM 0 H LEU A 71 85.666 2.981 5.427 1.00 0.00 H new ATOM 0 HA LEU A 71 85.825 5.682 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 71 87.321 3.074 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 71 87.812 4.588 7.699 1.00 0.00 H new ATOM 0 HG LEU A 71 85.118 3.284 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 71 86.048 2.620 10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 71 86.945 1.869 9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 71 87.635 3.265 9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.043 4.856 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 71 86.617 5.524 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 71 85.196 5.724 8.525 1.00 0.00 H new ATOM 940 N ALA A 72 87.797 4.284 4.333 1.00 0.00 N ATOM 941 CA ALA A 72 88.884 4.523 3.409 1.00 0.00 C ATOM 942 C ALA A 72 88.939 3.478 2.321 1.00 0.00 C ATOM 943 O ALA A 72 88.146 2.561 2.303 1.00 0.00 O ATOM 944 CB ALA A 72 90.189 4.541 4.155 1.00 0.00 C ATOM 0 H ALA A 72 87.361 3.366 4.249 1.00 0.00 H new ATOM 0 HA ALA A 72 88.709 5.489 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 72 91.005 4.721 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 72 90.170 5.334 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 72 90.339 3.581 4.648 1.00 0.00 H new ATOM 950 N VAL A 73 89.890 3.619 1.429 1.00 0.00 N ATOM 951 CA VAL A 73 90.109 2.690 0.351 1.00 0.00 C ATOM 952 C VAL A 73 91.532 2.200 0.427 1.00 0.00 C ATOM 953 O VAL A 73 92.464 2.987 0.236 1.00 0.00 O ATOM 954 CB VAL A 73 89.909 3.355 -1.032 1.00 0.00 C ATOM 955 CG1 VAL A 73 90.115 2.361 -2.164 1.00 0.00 C ATOM 956 CG2 VAL A 73 88.552 3.986 -1.133 1.00 0.00 C ATOM 0 H VAL A 73 90.546 4.400 1.434 1.00 0.00 H new ATOM 0 HA VAL A 73 89.390 1.877 0.453 1.00 0.00 H new ATOM 0 HB VAL A 73 90.663 4.136 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 73 89.967 2.863 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 73 91.128 1.961 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 73 89.398 1.546 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 73 88.437 4.446 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 73 87.785 3.223 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 73 88.446 4.748 -0.360 1.00 0.00 H new ATOM 966 N ASN A 74 91.694 0.936 0.781 1.00 0.00 N ATOM 967 CA ASN A 74 92.992 0.253 0.811 1.00 0.00 C ATOM 968 C ASN A 74 93.936 0.972 1.771 1.00 0.00 C ATOM 969 O ASN A 74 95.146 1.046 1.579 1.00 0.00 O ATOM 970 CB ASN A 74 93.541 0.130 -0.645 1.00 0.00 C ATOM 971 CG ASN A 74 94.776 -0.755 -0.788 1.00 0.00 C ATOM 972 OD1 ASN A 74 95.038 -1.622 0.031 1.00 0.00 O ATOM 973 ND2 ASN A 74 95.484 -0.602 -1.872 1.00 0.00 N ATOM 0 H ASN A 74 90.917 0.338 1.062 1.00 0.00 H new ATOM 0 HA ASN A 74 92.891 -0.762 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 74 92.752 -0.265 -1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 74 93.781 1.127 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 74 96.279 -1.215 -2.053 1.00 0.00 H new ATOM 0 HD22 ASN A 74 95.243 0.131 -2.539 1.00 0.00 H new ATOM 980 N GLY A 75 93.344 1.490 2.839 1.00 0.00 N ATOM 981 CA GLY A 75 94.106 2.180 3.847 1.00 0.00 C ATOM 982 C GLY A 75 94.229 3.682 3.619 1.00 0.00 C ATOM 983 O GLY A 75 94.589 4.415 4.541 1.00 0.00 O ATOM 0 H GLY A 75 92.342 1.441 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.642 2.008 4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 75 95.106 1.747 3.890 1.00 0.00 H new ATOM 987 N VAL A 76 93.925 4.153 2.419 1.00 0.00 N ATOM 988 CA VAL A 76 94.034 5.571 2.114 1.00 0.00 C ATOM 989 C VAL A 76 92.745 6.248 2.537 1.00 0.00 C ATOM 990 O VAL A 76 91.678 5.976 1.951 1.00 0.00 O ATOM 991 CB VAL A 76 94.285 5.814 0.596 1.00 0.00 C ATOM 992 CG1 VAL A 76 94.409 7.302 0.287 1.00 0.00 C ATOM 993 CG2 VAL A 76 95.533 5.072 0.132 1.00 0.00 C ATOM 0 H VAL A 76 93.602 3.576 1.643 1.00 0.00 H new ATOM 0 HA VAL A 76 94.885 5.986 2.655 1.00 0.00 H new ATOM 0 HB VAL A 76 93.424 5.426 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 76 94.584 7.439 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.488 7.811 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 76 95.244 7.722 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 76 95.691 5.255 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 76 96.397 5.427 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 76 95.405 4.003 0.301 1.00 0.00 H new ATOM 1003 N SER A 77 92.846 7.094 3.563 1.00 0.00 N ATOM 1004 CA SER A 77 91.713 7.748 4.197 1.00 0.00 C ATOM 1005 C SER A 77 90.842 8.498 3.196 1.00 0.00 C ATOM 1006 O SER A 77 91.302 9.392 2.468 1.00 0.00 O ATOM 1007 CB SER A 77 92.206 8.668 5.282 1.00 0.00 C ATOM 1008 OG SER A 77 93.066 7.976 6.185 1.00 0.00 O ATOM 0 H SER A 77 93.741 7.346 3.982 1.00 0.00 H new ATOM 0 HA SER A 77 91.081 6.977 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 77 92.739 9.508 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 77 91.357 9.082 5.827 1.00 0.00 H new ATOM 0 HG SER A 77 93.375 8.594 6.880 1.00 0.00 H new ATOM 1014 N LEU A 78 89.591 8.132 3.176 1.00 0.00 N ATOM 1015 CA LEU A 78 88.672 8.586 2.253 1.00 0.00 C ATOM 1016 C LEU A 78 87.541 9.351 2.977 1.00 0.00 C ATOM 1017 O LEU A 78 86.519 9.699 2.394 1.00 0.00 O ATOM 1018 CB LEU A 78 88.203 7.319 1.617 1.00 0.00 C ATOM 1019 CG LEU A 78 87.120 7.370 0.673 1.00 0.00 C ATOM 1020 CD1 LEU A 78 87.604 7.900 -0.670 1.00 0.00 C ATOM 1021 CD2 LEU A 78 86.480 6.021 0.572 1.00 0.00 C ATOM 0 H LEU A 78 89.197 7.475 3.850 1.00 0.00 H new ATOM 0 HA LEU A 78 89.064 9.290 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.058 6.869 1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 78 87.910 6.639 2.417 1.00 0.00 H new ATOM 0 HG LEU A 78 86.358 8.068 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 78 86.770 7.931 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 78 88.007 8.904 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 78 88.382 7.244 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 78 85.659 6.060 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 78 87.218 5.292 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 78 86.096 5.726 1.549 1.00 0.00 H new ATOM 1033 N GLU A 79 87.728 9.596 4.260 1.00 0.00 N ATOM 1034 CA GLU A 79 86.773 10.393 4.997 1.00 0.00 C ATOM 1035 C GLU A 79 86.915 11.838 4.577 1.00 0.00 C ATOM 1036 O GLU A 79 87.993 12.448 4.725 1.00 0.00 O ATOM 1037 CB GLU A 79 86.928 10.241 6.505 1.00 0.00 C ATOM 1038 CG GLU A 79 86.560 8.865 7.025 1.00 0.00 C ATOM 1039 CD GLU A 79 86.718 8.763 8.514 1.00 0.00 C ATOM 1040 OE1 GLU A 79 87.838 8.475 8.973 1.00 0.00 O ATOM 1041 OE2 GLU A 79 85.729 8.981 9.253 1.00 0.00 O ATOM 0 H GLU A 79 88.522 9.259 4.805 1.00 0.00 H new ATOM 0 HA GLU A 79 85.771 10.036 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 79 87.961 10.457 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 79 86.305 10.985 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 79 85.529 8.640 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 79 87.187 8.116 6.542 1.00 0.00 H new ATOM 1048 N GLY A 80 85.858 12.360 4.024 1.00 0.00 N ATOM 1049 CA GLY A 80 85.875 13.699 3.505 1.00 0.00 C ATOM 1050 C GLY A 80 85.970 13.695 1.997 1.00 0.00 C ATOM 1051 O GLY A 80 86.362 14.686 1.378 1.00 0.00 O ATOM 0 H GLY A 80 84.967 11.875 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 80 84.971 14.224 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 80 86.720 14.245 3.925 1.00 0.00 H new ATOM 1055 N ALA A 81 85.614 12.576 1.403 1.00 0.00 N ATOM 1056 CA ALA A 81 85.657 12.428 -0.024 1.00 0.00 C ATOM 1057 C ALA A 81 84.264 12.587 -0.583 1.00 0.00 C ATOM 1058 O ALA A 81 83.284 12.299 0.103 1.00 0.00 O ATOM 1059 CB ALA A 81 86.211 11.059 -0.409 1.00 0.00 C ATOM 0 H ALA A 81 85.288 11.748 1.901 1.00 0.00 H new ATOM 0 HA ALA A 81 86.313 13.194 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 81 86.235 10.968 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 81 87.221 10.951 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 81 85.573 10.279 0.006 1.00 0.00 H new ATOM 1065 N THR A 82 84.168 13.076 -1.784 1.00 0.00 N ATOM 1066 CA THR A 82 82.902 13.138 -2.452 1.00 0.00 C ATOM 1067 C THR A 82 82.817 11.926 -3.420 1.00 0.00 C ATOM 1068 O THR A 82 83.809 11.186 -3.552 1.00 0.00 O ATOM 1069 CB THR A 82 82.690 14.509 -3.172 1.00 0.00 C ATOM 1070 OG1 THR A 82 81.339 14.623 -3.665 1.00 0.00 O ATOM 1071 CG2 THR A 82 83.673 14.699 -4.315 1.00 0.00 C ATOM 0 H THR A 82 84.954 13.439 -2.323 1.00 0.00 H new ATOM 0 HA THR A 82 82.089 13.075 -1.728 1.00 0.00 H new ATOM 0 HB THR A 82 82.869 15.292 -2.435 1.00 0.00 H new ATOM 0 HG1 THR A 82 81.225 15.488 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 82 83.495 15.663 -4.792 1.00 0.00 H new ATOM 0 HG22 THR A 82 84.691 14.668 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 82 83.539 13.902 -5.047 1.00 0.00 H new ATOM 1079 N HIS A 83 81.657 11.729 -4.078 1.00 0.00 N ATOM 1080 CA HIS A 83 81.379 10.536 -4.932 1.00 0.00 C ATOM 1081 C HIS A 83 82.492 10.302 -5.918 1.00 0.00 C ATOM 1082 O HIS A 83 83.083 9.218 -5.972 1.00 0.00 O ATOM 1083 CB HIS A 83 80.091 10.713 -5.754 1.00 0.00 C ATOM 1084 CG HIS A 83 78.875 11.124 -4.995 1.00 0.00 C ATOM 1085 ND1 HIS A 83 78.377 12.401 -5.106 1.00 0.00 N ATOM 1086 CD2 HIS A 83 78.073 10.404 -4.187 1.00 0.00 C ATOM 1087 CE1 HIS A 83 77.289 12.426 -4.368 1.00 0.00 C ATOM 1088 NE2 HIS A 83 77.068 11.248 -3.794 1.00 0.00 N ATOM 0 H HIS A 83 80.880 12.388 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 83 81.281 9.694 -4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 83 80.279 11.457 -6.528 1.00 0.00 H new ATOM 0 HB3 HIS A 83 79.876 9.772 -6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 83 78.197 9.369 -3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 83 76.656 13.292 -4.244 1.00 0.00 H new ATOM 0 HE2 HIS A 83 76.292 11.015 -3.174 1.00 0.00 H new ATOM 1096 N LYS A 84 82.787 11.339 -6.670 1.00 0.00 N ATOM 1097 CA LYS A 84 83.762 11.283 -7.724 1.00 0.00 C ATOM 1098 C LYS A 84 85.158 10.989 -7.196 1.00 0.00 C ATOM 1099 O LYS A 84 85.903 10.277 -7.831 1.00 0.00 O ATOM 1100 CB LYS A 84 83.697 12.560 -8.566 1.00 0.00 C ATOM 1101 CG LYS A 84 82.306 12.762 -9.171 1.00 0.00 C ATOM 1102 CD LYS A 84 82.145 14.081 -9.906 1.00 0.00 C ATOM 1103 CE LYS A 84 82.985 14.153 -11.162 1.00 0.00 C ATOM 1104 NZ LYS A 84 82.715 15.392 -11.912 1.00 0.00 N ATOM 0 H LYS A 84 82.349 12.254 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 84 83.520 10.445 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.954 13.419 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.438 12.509 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 84 82.097 11.944 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 84 81.562 12.706 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 84 81.096 14.222 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 84 82.421 14.899 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 84 84.042 14.107 -10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 84 82.775 13.289 -11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 83.305 15.415 -12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 81.711 15.423 -12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 82.938 16.214 -11.316 1.00 0.00 H new ATOM 1118 N GLN A 85 85.465 11.453 -5.994 1.00 0.00 N ATOM 1119 CA GLN A 85 86.779 11.211 -5.401 1.00 0.00 C ATOM 1120 C GLN A 85 86.889 9.761 -4.987 1.00 0.00 C ATOM 1121 O GLN A 85 87.886 9.084 -5.285 1.00 0.00 O ATOM 1122 CB GLN A 85 87.017 12.121 -4.192 1.00 0.00 C ATOM 1123 CG GLN A 85 87.107 13.587 -4.547 1.00 0.00 C ATOM 1124 CD GLN A 85 88.291 13.890 -5.443 1.00 0.00 C ATOM 1125 OE1 GLN A 85 89.334 13.246 -5.363 1.00 0.00 O ATOM 1126 NE2 GLN A 85 88.139 14.837 -6.309 1.00 0.00 N ATOM 0 H GLN A 85 84.829 11.996 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 85 87.540 11.437 -6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 85 86.208 11.978 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.939 11.819 -3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.188 13.895 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 85 87.186 14.176 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 85 87.261 15.354 -6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.897 15.068 -6.951 1.00 0.00 H new ATOM 1135 N ALA A 86 85.843 9.280 -4.319 1.00 0.00 N ATOM 1136 CA ALA A 86 85.753 7.901 -3.882 1.00 0.00 C ATOM 1137 C ALA A 86 85.942 6.956 -5.054 1.00 0.00 C ATOM 1138 O ALA A 86 86.864 6.138 -5.065 1.00 0.00 O ATOM 1139 CB ALA A 86 84.405 7.655 -3.215 1.00 0.00 C ATOM 0 H ALA A 86 85.032 9.845 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 86 86.546 7.711 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 86 84.344 6.617 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 86 84.301 8.313 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.605 7.859 -3.926 1.00 0.00 H new ATOM 1145 N VAL A 87 85.118 7.122 -6.066 1.00 0.00 N ATOM 1146 CA VAL A 87 85.172 6.266 -7.242 1.00 0.00 C ATOM 1147 C VAL A 87 86.518 6.396 -7.989 1.00 0.00 C ATOM 1148 O VAL A 87 87.016 5.418 -8.548 1.00 0.00 O ATOM 1149 CB VAL A 87 83.961 6.496 -8.193 1.00 0.00 C ATOM 1150 CG1 VAL A 87 84.043 5.603 -9.429 1.00 0.00 C ATOM 1151 CG2 VAL A 87 82.666 6.224 -7.445 1.00 0.00 C ATOM 0 H VAL A 87 84.398 7.844 -6.102 1.00 0.00 H new ATOM 0 HA VAL A 87 85.101 5.239 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 87 83.984 7.533 -8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 87 83.182 5.790 -10.071 1.00 0.00 H new ATOM 0 HG12 VAL A 87 84.959 5.824 -9.977 1.00 0.00 H new ATOM 0 HG13 VAL A 87 84.047 4.557 -9.123 1.00 0.00 H new ATOM 0 HG21 VAL A 87 81.819 6.386 -8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 87 82.659 5.192 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 87 82.590 6.899 -6.592 1.00 0.00 H new ATOM 1161 N GLU A 88 87.155 7.565 -7.911 1.00 0.00 N ATOM 1162 CA GLU A 88 88.447 7.733 -8.552 1.00 0.00 C ATOM 1163 C GLU A 88 89.528 6.978 -7.801 1.00 0.00 C ATOM 1164 O GLU A 88 90.520 6.540 -8.396 1.00 0.00 O ATOM 1165 CB GLU A 88 88.851 9.192 -8.741 1.00 0.00 C ATOM 1166 CG GLU A 88 88.099 9.904 -9.841 1.00 0.00 C ATOM 1167 CD GLU A 88 88.211 9.195 -11.161 1.00 0.00 C ATOM 1168 OE1 GLU A 88 89.272 9.290 -11.825 1.00 0.00 O ATOM 1169 OE2 GLU A 88 87.244 8.531 -11.567 1.00 0.00 O ATOM 0 H GLU A 88 86.803 8.388 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 88 88.340 7.311 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 88 88.693 9.726 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 88 89.918 9.237 -8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 88 87.048 9.987 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 88 88.483 10.919 -9.943 1.00 0.00 H new ATOM 1176 N THR A 89 89.326 6.784 -6.513 1.00 0.00 N ATOM 1177 CA THR A 89 90.270 6.056 -5.709 1.00 0.00 C ATOM 1178 C THR A 89 90.162 4.557 -6.074 1.00 0.00 C ATOM 1179 O THR A 89 91.162 3.872 -6.262 1.00 0.00 O ATOM 1180 CB THR A 89 89.977 6.282 -4.201 1.00 0.00 C ATOM 1181 OG1 THR A 89 89.834 7.698 -3.949 1.00 0.00 O ATOM 1182 CG2 THR A 89 91.117 5.763 -3.347 1.00 0.00 C ATOM 0 H THR A 89 88.510 7.125 -6.004 1.00 0.00 H new ATOM 0 HA THR A 89 91.283 6.407 -5.904 1.00 0.00 H new ATOM 0 HB THR A 89 89.062 5.747 -3.947 1.00 0.00 H new ATOM 0 HG1 THR A 89 89.010 8.023 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 89 90.889 5.932 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 89 91.247 4.695 -3.523 1.00 0.00 H new ATOM 0 HG23 THR A 89 92.036 6.288 -3.608 1.00 0.00 H new ATOM 1190 N LEU A 90 88.918 4.107 -6.282 1.00 0.00 N ATOM 1191 CA LEU A 90 88.590 2.768 -6.696 1.00 0.00 C ATOM 1192 C LEU A 90 89.020 2.524 -8.145 1.00 0.00 C ATOM 1193 O LEU A 90 89.110 1.387 -8.605 1.00 0.00 O ATOM 1194 CB LEU A 90 87.080 2.578 -6.545 1.00 0.00 C ATOM 1195 CG LEU A 90 86.569 2.265 -5.128 1.00 0.00 C ATOM 1196 CD1 LEU A 90 87.011 3.252 -4.070 1.00 0.00 C ATOM 1197 CD2 LEU A 90 85.074 2.068 -5.095 1.00 0.00 C ATOM 0 H LEU A 90 88.096 4.698 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 90 89.122 2.049 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 90 86.585 3.484 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 90 86.769 1.769 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 90 87.047 1.321 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 90 86.606 2.955 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.100 3.267 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 90 86.647 4.247 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 90 84.758 1.849 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 90 84.580 2.976 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 90 84.802 1.236 -5.745 1.00 0.00 H new ATOM 1209 N ARG A 91 89.237 3.591 -8.854 1.00 0.00 N ATOM 1210 CA ARG A 91 89.731 3.528 -10.197 1.00 0.00 C ATOM 1211 C ARG A 91 91.254 3.362 -10.180 1.00 0.00 C ATOM 1212 O ARG A 91 91.814 2.548 -10.922 1.00 0.00 O ATOM 1213 CB ARG A 91 89.317 4.798 -10.956 1.00 0.00 C ATOM 1214 CG ARG A 91 89.831 4.916 -12.379 1.00 0.00 C ATOM 1215 CD ARG A 91 89.396 3.752 -13.244 1.00 0.00 C ATOM 1216 NE ARG A 91 89.768 3.958 -14.641 1.00 0.00 N ATOM 1217 CZ ARG A 91 90.111 2.996 -15.500 1.00 0.00 C ATOM 1218 NH1 ARG A 91 90.361 1.759 -15.077 1.00 0.00 N ATOM 1219 NH2 ARG A 91 90.239 3.291 -16.783 1.00 0.00 N ATOM 0 H ARG A 91 89.075 4.539 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 91 89.302 2.667 -10.710 1.00 0.00 H new ATOM 0 HB2 ARG A 91 88.228 4.846 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 91 89.663 5.664 -10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 91 89.471 5.847 -12.817 1.00 0.00 H new ATOM 0 HG3 ARG A 91 90.920 4.970 -12.367 1.00 0.00 H new ATOM 0 HD2 ARG A 91 89.852 2.833 -12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 91 88.316 3.624 -13.168 1.00 0.00 H new ATOM 0 HE ARG A 91 89.765 4.917 -14.989 1.00 0.00 H new ATOM 0 HH11 ARG A 91 90.291 1.536 -14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 91 90.622 1.034 -15.746 1.00 0.00 H new ATOM 0 HH21 ARG A 91 90.076 4.245 -17.106 1.00 0.00 H new ATOM 0 HH22 ARG A 91 90.501 2.565 -17.450 1.00 0.00 H new ATOM 1233 N ASN A 92 91.897 4.118 -9.309 1.00 0.00 N ATOM 1234 CA ASN A 92 93.361 4.139 -9.177 1.00 0.00 C ATOM 1235 C ASN A 92 93.919 2.804 -8.671 1.00 0.00 C ATOM 1236 O ASN A 92 95.001 2.372 -9.094 1.00 0.00 O ATOM 1237 CB ASN A 92 93.784 5.291 -8.246 1.00 0.00 C ATOM 1238 CG ASN A 92 95.290 5.381 -8.020 1.00 0.00 C ATOM 1239 OD1 ASN A 92 96.006 6.027 -8.780 1.00 0.00 O ATOM 1240 ND2 ASN A 92 95.765 4.777 -6.958 1.00 0.00 N ATOM 0 H ASN A 92 91.421 4.746 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 92 93.781 4.300 -10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 92 93.433 6.233 -8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 92 93.289 5.168 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 92 96.760 4.835 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 92 95.140 4.249 -6.349 1.00 0.00 H new ATOM 1247 N THR A 93 93.180 2.165 -7.785 1.00 0.00 N ATOM 1248 CA THR A 93 93.572 0.895 -7.200 1.00 0.00 C ATOM 1249 C THR A 93 93.774 -0.185 -8.284 1.00 0.00 C ATOM 1250 O THR A 93 94.846 -0.796 -8.385 1.00 0.00 O ATOM 1251 CB THR A 93 92.499 0.440 -6.201 1.00 0.00 C ATOM 1252 OG1 THR A 93 91.223 0.536 -6.833 1.00 0.00 O ATOM 1253 CG2 THR A 93 92.499 1.306 -4.945 1.00 0.00 C ATOM 0 H THR A 93 92.283 2.515 -7.447 1.00 0.00 H new ATOM 0 HA THR A 93 94.523 1.033 -6.685 1.00 0.00 H new ATOM 0 HB THR A 93 92.714 -0.586 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 93 90.898 1.459 -6.775 1.00 0.00 H new ATOM 0 HG21 THR A 93 91.727 0.955 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 93 93.472 1.241 -4.458 1.00 0.00 H new ATOM 0 HG23 THR A 93 92.298 2.342 -5.217 1.00 0.00 H new ATOM 1261 N GLY A 94 92.765 -0.395 -9.085 1.00 0.00 N ATOM 1262 CA GLY A 94 92.841 -1.355 -10.149 1.00 0.00 C ATOM 1263 C GLY A 94 91.609 -2.202 -10.183 1.00 0.00 C ATOM 1264 O GLY A 94 90.500 -1.696 -9.915 1.00 0.00 O ATOM 0 H GLY A 94 91.872 0.093 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 94 92.961 -0.840 -11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 94 93.719 -1.986 -10.014 1.00 0.00 H new ATOM 1268 N GLN A 95 91.773 -3.478 -10.489 1.00 0.00 N ATOM 1269 CA GLN A 95 90.649 -4.397 -10.527 1.00 0.00 C ATOM 1270 C GLN A 95 90.173 -4.718 -9.121 1.00 0.00 C ATOM 1271 O GLN A 95 89.009 -4.545 -8.795 1.00 0.00 O ATOM 1272 CB GLN A 95 90.989 -5.696 -11.264 1.00 0.00 C ATOM 1273 CG GLN A 95 89.843 -6.701 -11.238 1.00 0.00 C ATOM 1274 CD GLN A 95 90.162 -8.013 -11.904 1.00 0.00 C ATOM 1275 OE1 GLN A 95 91.313 -8.458 -11.939 1.00 0.00 O ATOM 1276 NE2 GLN A 95 89.153 -8.654 -12.411 1.00 0.00 N ATOM 0 H GLN A 95 92.674 -3.901 -10.715 1.00 0.00 H new ATOM 0 HA GLN A 95 89.851 -3.898 -11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 95 91.243 -5.467 -12.299 1.00 0.00 H new ATOM 0 HB3 GLN A 95 91.873 -6.146 -10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 95 89.563 -6.890 -10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 95 88.975 -6.259 -11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 95 88.217 -8.252 -12.362 1.00 0.00 H new ATOM 0 HE22 GLN A 95 89.297 -9.559 -12.858 1.00 0.00 H new ATOM 1285 N VAL A 96 91.056 -5.195 -8.296 1.00 0.00 N ATOM 1286 CA VAL A 96 90.680 -5.533 -6.960 1.00 0.00 C ATOM 1287 C VAL A 96 90.914 -4.349 -6.061 1.00 0.00 C ATOM 1288 O VAL A 96 92.052 -3.905 -5.865 1.00 0.00 O ATOM 1289 CB VAL A 96 91.419 -6.782 -6.440 1.00 0.00 C ATOM 1290 CG1 VAL A 96 90.964 -7.120 -5.037 1.00 0.00 C ATOM 1291 CG2 VAL A 96 91.159 -7.950 -7.366 1.00 0.00 C ATOM 0 H VAL A 96 92.037 -5.358 -8.524 1.00 0.00 H new ATOM 0 HA VAL A 96 89.619 -5.785 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 96 92.489 -6.574 -6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 96 91.496 -8.004 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 96 91.176 -6.281 -4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 96 89.892 -7.318 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 96 91.683 -8.831 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 96 90.089 -8.153 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 96 91.518 -7.708 -8.366 1.00 0.00 H new ATOM 1301 N VAL A 97 89.852 -3.816 -5.562 1.00 0.00 N ATOM 1302 CA VAL A 97 89.895 -2.665 -4.726 1.00 0.00 C ATOM 1303 C VAL A 97 89.642 -3.092 -3.317 1.00 0.00 C ATOM 1304 O VAL A 97 88.666 -3.785 -3.030 1.00 0.00 O ATOM 1305 CB VAL A 97 88.805 -1.641 -5.089 1.00 0.00 C ATOM 1306 CG1 VAL A 97 89.127 -0.280 -4.519 1.00 0.00 C ATOM 1307 CG2 VAL A 97 88.548 -1.581 -6.572 1.00 0.00 C ATOM 0 H VAL A 97 88.911 -4.175 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 97 90.873 -2.202 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 97 87.877 -1.982 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 97 88.340 0.424 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 97 89.195 -0.347 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 97 90.079 0.067 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 97 87.771 -0.844 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 97 89.464 -1.296 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 97 88.222 -2.560 -6.925 1.00 0.00 H new ATOM 1317 N HIS A 98 90.491 -2.704 -2.473 1.00 0.00 N ATOM 1318 CA HIS A 98 90.331 -2.951 -1.100 1.00 0.00 C ATOM 1319 C HIS A 98 89.777 -1.671 -0.521 1.00 0.00 C ATOM 1320 O HIS A 98 90.254 -0.609 -0.851 1.00 0.00 O ATOM 1321 CB HIS A 98 91.695 -3.295 -0.488 1.00 0.00 C ATOM 1322 CG HIS A 98 91.657 -3.727 0.944 1.00 0.00 C ATOM 1323 ND1 HIS A 98 92.235 -2.971 1.936 1.00 0.00 N ATOM 1324 CD2 HIS A 98 91.161 -4.859 1.480 1.00 0.00 C ATOM 1325 CE1 HIS A 98 92.078 -3.665 3.050 1.00 0.00 C ATOM 1326 NE2 HIS A 98 91.436 -4.815 2.819 1.00 0.00 N ATOM 0 H HIS A 98 91.340 -2.193 -2.713 1.00 0.00 H new ATOM 0 HA HIS A 98 89.664 -3.789 -0.895 1.00 0.00 H new ATOM 0 HB2 HIS A 98 92.151 -4.089 -1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 98 92.344 -2.423 -0.571 1.00 0.00 H new ATOM 0 HD2 HIS A 98 90.646 -5.649 0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 98 92.424 -3.344 4.022 1.00 0.00 H new ATOM 0 HE2 HIS A 98 91.197 -5.525 3.511 1.00 0.00 H new ATOM 1334 N LEU A 99 88.740 -1.751 0.239 1.00 0.00 N ATOM 1335 CA LEU A 99 88.216 -0.591 0.905 1.00 0.00 C ATOM 1336 C LEU A 99 88.068 -0.910 2.367 1.00 0.00 C ATOM 1337 O LEU A 99 87.770 -2.038 2.733 1.00 0.00 O ATOM 1338 CB LEU A 99 86.878 -0.013 0.320 1.00 0.00 C ATOM 1339 CG LEU A 99 86.857 0.497 -1.112 1.00 0.00 C ATOM 1340 CD1 LEU A 99 86.804 -0.656 -2.095 1.00 0.00 C ATOM 1341 CD2 LEU A 99 85.662 1.417 -1.315 1.00 0.00 C ATOM 0 H LEU A 99 88.228 -2.614 0.421 1.00 0.00 H new ATOM 0 HA LEU A 99 88.936 0.210 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 99 86.120 -0.792 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 99 86.564 0.807 0.966 1.00 0.00 H new ATOM 0 HG LEU A 99 87.775 1.056 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 99 86.790 -0.266 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 99 87.681 -1.289 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 99 85.903 -1.243 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 99 85.652 1.779 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 99 84.742 0.868 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 99 85.735 2.264 -0.633 1.00 0.00 H new ATOM 1353 N LEU A 100 88.272 0.059 3.190 1.00 0.00 N ATOM 1354 CA LEU A 100 88.207 -0.134 4.596 1.00 0.00 C ATOM 1355 C LEU A 100 86.825 0.343 5.027 1.00 0.00 C ATOM 1356 O LEU A 100 86.523 1.538 4.924 1.00 0.00 O ATOM 1357 CB LEU A 100 89.322 0.691 5.287 1.00 0.00 C ATOM 1358 CG LEU A 100 89.745 0.275 6.720 1.00 0.00 C ATOM 1359 CD1 LEU A 100 90.867 1.159 7.213 1.00 0.00 C ATOM 1360 CD2 LEU A 100 88.581 0.299 7.703 1.00 0.00 C ATOM 0 H LEU A 100 88.490 1.014 2.904 1.00 0.00 H new ATOM 0 HA LEU A 100 88.357 -1.177 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 100 90.208 0.655 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 100 88.997 1.731 5.322 1.00 0.00 H new ATOM 0 HG LEU A 100 90.094 -0.756 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 100 91.154 0.856 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 100 91.725 1.064 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 100 90.533 2.196 7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 100 88.932 -0.000 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 100 88.169 1.307 7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 100 87.808 -0.392 7.368 1.00 0.00 H new ATOM 1372 N LEU A 101 85.988 -0.559 5.468 1.00 0.00 N ATOM 1373 CA LEU A 101 84.637 -0.201 5.851 1.00 0.00 C ATOM 1374 C LEU A 101 84.399 -0.418 7.318 1.00 0.00 C ATOM 1375 O LEU A 101 85.195 -1.033 8.002 1.00 0.00 O ATOM 1376 CB LEU A 101 83.552 -0.947 5.035 1.00 0.00 C ATOM 1377 CG LEU A 101 83.244 -0.438 3.616 1.00 0.00 C ATOM 1378 CD1 LEU A 101 84.388 -0.670 2.670 1.00 0.00 C ATOM 1379 CD2 LEU A 101 81.966 -1.061 3.087 1.00 0.00 C ATOM 0 H LEU A 101 86.213 -1.548 5.573 1.00 0.00 H new ATOM 0 HA LEU A 101 84.548 0.862 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 101 83.851 -1.992 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 101 82.625 -0.922 5.608 1.00 0.00 H new ATOM 0 HG LEU A 101 83.101 0.640 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 101 84.124 -0.295 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 101 85.272 -0.146 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 101 84.598 -1.738 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 101 81.768 -0.687 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 101 82.076 -2.145 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 101 81.135 -0.799 3.742 1.00 0.00 H new ATOM 1391 N GLU A 102 83.326 0.130 7.765 1.00 0.00 N ATOM 1392 CA GLU A 102 82.809 0.030 9.090 1.00 0.00 C ATOM 1393 C GLU A 102 81.351 -0.275 8.914 1.00 0.00 C ATOM 1394 O GLU A 102 80.779 0.057 7.864 1.00 0.00 O ATOM 1395 CB GLU A 102 83.024 1.369 9.855 1.00 0.00 C ATOM 1396 CG GLU A 102 82.207 1.587 11.160 1.00 0.00 C ATOM 1397 CD GLU A 102 82.430 0.564 12.270 1.00 0.00 C ATOM 1398 OE1 GLU A 102 83.488 0.613 12.944 1.00 0.00 O ATOM 1399 OE2 GLU A 102 81.508 -0.253 12.552 1.00 0.00 O ATOM 0 H GLU A 102 82.736 0.708 7.167 1.00 0.00 H new ATOM 0 HA GLU A 102 83.308 -0.740 9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 102 84.082 1.449 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 102 82.794 2.187 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 102 82.444 2.576 11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 102 81.147 1.591 10.905 1.00 0.00 H new ATOM 1406 N LYS A 103 80.773 -0.938 9.855 1.00 0.00 N ATOM 1407 CA LYS A 103 79.357 -1.131 9.869 1.00 0.00 C ATOM 1408 C LYS A 103 78.630 0.226 9.769 1.00 0.00 C ATOM 1409 O LYS A 103 78.744 1.090 10.652 1.00 0.00 O ATOM 1410 CB LYS A 103 78.972 -1.920 11.135 1.00 0.00 C ATOM 1411 CG LYS A 103 77.473 -2.111 11.437 1.00 0.00 C ATOM 1412 CD LYS A 103 76.782 -0.872 12.046 1.00 0.00 C ATOM 1413 CE LYS A 103 77.397 -0.413 13.389 1.00 0.00 C ATOM 1414 NZ LYS A 103 78.731 0.268 13.277 1.00 0.00 N ATOM 0 H LYS A 103 81.266 -1.364 10.640 1.00 0.00 H new ATOM 0 HA LYS A 103 79.044 -1.714 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 103 79.428 -2.908 11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 103 79.425 -1.420 11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 103 76.960 -2.381 10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 103 77.357 -2.950 12.123 1.00 0.00 H new ATOM 0 HD2 LYS A 103 76.836 -0.050 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 103 75.726 -1.094 12.198 1.00 0.00 H new ATOM 0 HE2 LYS A 103 76.699 0.267 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 103 77.503 -1.282 14.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 79.472 -0.357 13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 78.930 0.479 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 78.715 1.154 13.822 1.00 0.00 H new ATOM 1428 N GLY A 104 77.933 0.391 8.694 1.00 0.00 N ATOM 1429 CA GLY A 104 77.134 1.569 8.463 1.00 0.00 C ATOM 1430 C GLY A 104 75.729 1.152 8.146 1.00 0.00 C ATOM 1431 O GLY A 104 74.852 1.977 7.888 1.00 0.00 O ATOM 0 H GLY A 104 77.896 -0.291 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 104 77.146 2.211 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 104 77.549 2.150 7.639 1.00 0.00 H new ATOM 1435 N GLN A 105 75.540 -0.168 8.189 1.00 0.00 N ATOM 1436 CA GLN A 105 74.324 -0.866 7.935 1.00 0.00 C ATOM 1437 C GLN A 105 73.156 -0.283 8.723 1.00 0.00 C ATOM 1438 O GLN A 105 72.029 -0.206 8.222 1.00 0.00 O ATOM 1439 CB GLN A 105 74.578 -2.296 8.363 1.00 0.00 C ATOM 1440 CG GLN A 105 73.436 -3.213 8.185 1.00 0.00 C ATOM 1441 CD GLN A 105 73.739 -4.592 8.711 1.00 0.00 C ATOM 1442 OE1 GLN A 105 73.510 -4.883 9.874 1.00 0.00 O ATOM 1443 NE2 GLN A 105 74.252 -5.446 7.872 1.00 0.00 N ATOM 0 H GLN A 105 76.303 -0.804 8.421 1.00 0.00 H new ATOM 0 HA GLN A 105 74.049 -0.788 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 105 75.426 -2.683 7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 105 74.866 -2.299 9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 105 72.563 -2.811 8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 105 73.181 -3.275 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 105 74.430 -5.168 6.907 1.00 0.00 H new ATOM 0 HE22 GLN A 105 74.475 -6.392 8.180 1.00 0.00 H new ATOM 1452 N VAL A 106 73.431 0.125 9.935 1.00 0.00 N ATOM 1453 CA VAL A 106 72.438 0.664 10.799 1.00 0.00 C ATOM 1454 C VAL A 106 72.808 2.098 11.184 1.00 0.00 C ATOM 1455 O VAL A 106 73.689 2.305 12.020 1.00 0.00 O ATOM 1456 CB VAL A 106 72.250 -0.200 12.090 1.00 0.00 C ATOM 1457 CG1 VAL A 106 71.159 0.372 12.985 1.00 0.00 C ATOM 1458 CG2 VAL A 106 71.936 -1.651 11.741 1.00 0.00 C ATOM 0 H VAL A 106 74.364 0.088 10.345 1.00 0.00 H new ATOM 0 HA VAL A 106 71.492 0.657 10.258 1.00 0.00 H new ATOM 0 HB VAL A 106 73.192 -0.172 12.637 1.00 0.00 H new ATOM 0 HG11 VAL A 106 71.053 -0.251 13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 106 71.427 1.386 13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 106 70.215 0.391 12.441 1.00 0.00 H new ATOM 0 HG21 VAL A 106 71.811 -2.227 12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 106 71.017 -1.694 11.157 1.00 0.00 H new ATOM 0 HG23 VAL A 106 72.756 -2.071 11.158 1.00 0.00 H new ATOM 1468 N PRO A 107 72.217 3.093 10.510 1.00 0.00 N ATOM 1469 CA PRO A 107 72.396 4.483 10.875 1.00 0.00 C ATOM 1470 C PRO A 107 71.563 4.825 12.114 1.00 0.00 C ATOM 1471 O PRO A 107 72.121 4.872 13.219 1.00 0.00 O ATOM 1472 CB PRO A 107 71.920 5.264 9.643 1.00 0.00 C ATOM 1473 CG PRO A 107 71.015 4.338 8.899 1.00 0.00 C ATOM 1474 CD PRO A 107 71.366 2.933 9.312 1.00 0.00 C ATOM 1475 OXT PRO A 107 70.325 4.994 12.005 1.00 0.00 O ATOM 0 HA PRO A 107 73.427 4.723 11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 107 71.395 6.173 9.935 1.00 0.00 H new ATOM 0 HB3 PRO A 107 72.763 5.568 9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 107 69.972 4.556 9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 107 71.138 4.464 7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 107 70.472 2.352 9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 107 71.896 2.408 8.517 1.00 0.00 H new TER 1483 PRO A 107