USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 17 TYR OH : rot 30:sc= 1.88 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -113:sc= 1.26 (180deg=-0.00663) USER MOD Set 1.3: A 72 THR OG1 : rot -162:sc= 1 USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.108 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -37:sc= -0.122! USER MOD Single : A 6 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.41) USER MOD Single : A 8 THR OG1 : rot 76:sc= 0.385 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 10 ASN : amide:sc= 0.983 K(o=0.98,f=-1.7) USER MOD Single : A 20 ASN : amide:sc= -0.0995 K(o=-0.1,f=-0.69) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00166) USER MOD Single : A 36 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.4) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.196 K(o=0.2,f=-0.61) USER MOD Single : A 49 THR OG1 : rot 66:sc= 0.615 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 18:sc= 0.887 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.9!) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.0761 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 47:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -86:sc= 0.0121 USER MOD Single : A 88 SER OG : rot -82:sc= 0.0511 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.427 -13.575 3.233 1.00 -0.26 N ATOM 2 CA ALA A 1 8.042 -14.074 3.024 1.00 0.04 C ATOM 3 C ALA A 1 7.091 -12.885 3.042 1.00 0.62 C ATOM 4 O ALA A 1 7.396 -11.911 3.711 1.00 -0.50 O ATOM 5 CB ALA A 1 7.611 -15.107 4.108 1.00 -0.10 C ATOM 0 H1 ALA A 1 9.935 -14.218 3.873 1.00 -0.26 H new ATOM 0 H2 ALA A 1 9.922 -13.533 2.320 1.00 -0.26 H new ATOM 0 H3 ALA A 1 9.394 -12.624 3.653 1.00 -0.26 H new ATOM 0 HA ALA A 1 8.008 -14.588 2.063 1.00 0.04 H new ATOM 0 HB1 ALA A 1 6.592 -15.440 3.909 1.00 -0.10 H new ATOM 0 HB2 ALA A 1 8.284 -15.964 4.082 1.00 -0.10 H new ATOM 0 HB3 ALA A 1 7.655 -14.641 5.092 1.00 -0.10 H new ATOM 13 N ILE A 2 5.945 -12.961 2.328 1.00 -0.46 N ATOM 14 CA ILE A 2 5.004 -11.835 2.250 1.00 0.04 C ATOM 15 C ILE A 2 4.131 -11.833 3.483 1.00 0.62 C ATOM 16 O ILE A 2 3.641 -12.884 3.864 1.00 -0.50 O ATOM 17 CB ILE A 2 4.149 -11.764 0.940 1.00 -0.01 C ATOM 18 CG1 ILE A 2 4.185 -13.077 0.095 1.00 -0.05 C ATOM 19 CG2 ILE A 2 4.597 -10.524 0.099 1.00 -0.09 C ATOM 20 CD1 ILE A 2 3.475 -14.301 0.730 1.00 -0.09 C ATOM 0 H ILE A 2 5.656 -13.787 1.803 1.00 -0.46 H new ATOM 0 HA ILE A 2 5.611 -10.931 2.209 1.00 0.04 H new ATOM 0 HB ILE A 2 3.106 -11.650 1.235 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 3.728 -12.877 -0.874 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 5.226 -13.340 -0.091 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 4.004 -10.470 -0.814 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 4.448 -9.615 0.682 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 5.652 -10.621 -0.158 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 3.560 -15.158 0.062 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 3.943 -14.538 1.685 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 2.422 -14.068 0.890 1.00 -0.09 H new ATOM 32 N THR A 3 3.910 -10.672 4.145 1.00 -0.46 N ATOM 33 CA THR A 3 3.092 -10.679 5.356 1.00 0.04 C ATOM 34 C THR A 3 2.625 -9.298 5.699 1.00 0.62 C ATOM 35 O THR A 3 3.388 -8.369 5.526 1.00 -0.50 O ATOM 36 CB THR A 3 3.952 -11.194 6.544 1.00 0.17 C ATOM 37 OG1 THR A 3 4.778 -12.314 6.129 1.00 -0.55 O ATOM 38 CG2 THR A 3 3.080 -11.587 7.776 1.00 -0.19 C ATOM 0 H THR A 3 4.274 -9.761 3.867 1.00 -0.46 H new ATOM 0 HA THR A 3 2.229 -11.321 5.179 1.00 0.04 H new ATOM 0 HB THR A 3 4.598 -10.372 6.853 1.00 0.17 H new ATOM 0 HG1 THR A 3 4.279 -12.871 5.495 1.00 -0.55 H new ATOM 0 HG21 THR A 3 3.725 -11.941 8.580 1.00 -0.19 H new ATOM 0 HG22 THR A 3 2.519 -10.717 8.117 1.00 -0.19 H new ATOM 0 HG23 THR A 3 2.386 -12.378 7.493 1.00 -0.19 H new ATOM 46 N CYS A 4 1.391 -9.072 6.192 1.00 -0.46 N ATOM 47 CA CYS A 4 0.971 -7.691 6.479 1.00 0.04 C ATOM 48 C CYS A 4 1.884 -6.963 7.448 1.00 0.62 C ATOM 49 O CYS A 4 2.038 -5.760 7.317 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.507 -7.623 6.956 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.676 -8.403 5.780 1.00 0.82 S ATOM 0 H CYS A 4 0.697 -9.793 6.392 1.00 -0.46 H new ATOM 0 HA CYS A 4 1.052 -7.165 5.528 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -0.593 -8.115 7.925 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -0.788 -6.580 7.101 1.00 -0.10 H new ATOM 56 N GLY A 5 2.530 -7.638 8.418 1.00 -0.46 N ATOM 57 CA GLY A 5 3.447 -6.928 9.308 1.00 0.04 C ATOM 58 C GLY A 5 4.499 -6.156 8.551 1.00 0.62 C ATOM 59 O GLY A 5 4.719 -4.990 8.838 1.00 -0.50 O ATOM 0 H GLY A 5 2.435 -8.638 8.596 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 2.880 -6.243 9.938 1.00 0.04 H new ATOM 0 HA3 GLY A 5 3.932 -7.644 9.972 1.00 0.04 H new ATOM 63 N GLN A 6 5.179 -6.786 7.566 1.00 -0.46 N ATOM 64 CA GLN A 6 6.230 -6.070 6.830 1.00 0.04 C ATOM 65 C GLN A 6 5.635 -4.912 6.050 1.00 0.62 C ATOM 66 O GLN A 6 6.319 -3.923 5.833 1.00 -0.50 O ATOM 67 CB GLN A 6 7.081 -7.011 5.911 1.00 -0.10 C ATOM 68 CG GLN A 6 6.424 -7.259 4.520 1.00 -0.10 C ATOM 69 CD GLN A 6 6.917 -8.386 3.633 1.00 0.68 C ATOM 70 OE1 GLN A 6 6.540 -8.407 2.468 1.00 -0.47 O ATOM 71 NE2 GLN A 6 7.721 -9.364 4.095 1.00 -0.87 N ATOM 0 H GLN A 6 5.024 -7.751 7.275 1.00 -0.46 H new ATOM 0 HA GLN A 6 6.925 -5.670 7.568 1.00 0.04 H new ATOM 0 HB2 GLN A 6 8.069 -6.573 5.767 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.226 -7.967 6.414 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 5.360 -7.423 4.690 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 6.517 -6.335 3.950 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 8.037 -9.349 5.065 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 8.014 -10.119 3.475 1.00 -0.87 H new ATOM 80 N VAL A 7 4.360 -5.030 5.609 1.00 -0.46 N ATOM 81 CA VAL A 7 3.722 -3.931 4.880 1.00 0.04 C ATOM 82 C VAL A 7 3.464 -2.792 5.843 1.00 0.62 C ATOM 83 O VAL A 7 3.821 -1.658 5.561 1.00 -0.50 O ATOM 84 CB VAL A 7 2.411 -4.433 4.205 1.00 -0.01 C ATOM 85 CG1 VAL A 7 1.633 -3.294 3.506 1.00 -0.09 C ATOM 86 CG2 VAL A 7 2.710 -5.578 3.197 1.00 -0.09 C ATOM 0 H VAL A 7 3.775 -5.854 5.745 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.375 -3.568 4.086 1.00 0.04 H new ATOM 0 HB VAL A 7 1.776 -4.818 5.003 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 0.728 -3.697 3.052 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.363 -2.534 4.239 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.259 -2.847 2.733 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 1.779 -5.912 2.739 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 3.385 -5.214 2.423 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.176 -6.412 3.722 1.00 -0.09 H new ATOM 96 N THR A 8 2.841 -3.091 7.000 1.00 -0.46 N ATOM 97 CA THR A 8 2.541 -2.035 7.958 1.00 0.04 C ATOM 98 C THR A 8 3.805 -1.344 8.405 1.00 0.62 C ATOM 99 O THR A 8 3.847 -0.125 8.442 1.00 -0.50 O ATOM 100 CB THR A 8 1.791 -2.660 9.168 1.00 0.17 C ATOM 101 OG1 THR A 8 0.730 -3.506 8.711 1.00 -0.55 O ATOM 102 CG2 THR A 8 1.228 -1.563 10.111 1.00 -0.19 C ATOM 0 H THR A 8 2.548 -4.027 7.279 1.00 -0.46 H new ATOM 0 HA THR A 8 1.908 -1.282 7.488 1.00 0.04 H new ATOM 0 HB THR A 8 2.507 -3.257 9.733 1.00 0.17 H new ATOM 0 HG1 THR A 8 1.104 -4.349 8.379 1.00 -0.55 H new ATOM 0 HG21 THR A 8 0.709 -2.033 10.947 1.00 -0.19 H new ATOM 0 HG22 THR A 8 2.048 -0.953 10.490 1.00 -0.19 H new ATOM 0 HG23 THR A 8 0.531 -0.932 9.560 1.00 -0.19 H new ATOM 110 N SER A 9 4.871 -2.106 8.735 1.00 -0.46 N ATOM 111 CA SER A 9 6.110 -1.467 9.181 1.00 0.04 C ATOM 112 C SER A 9 6.670 -0.611 8.064 1.00 0.62 C ATOM 113 O SER A 9 7.030 0.531 8.312 1.00 -0.50 O ATOM 114 CB SER A 9 7.157 -2.512 9.642 1.00 0.02 C ATOM 115 OG SER A 9 7.549 -3.302 8.507 1.00 -0.55 O ATOM 0 H SER A 9 4.893 -3.125 8.701 1.00 -0.46 H new ATOM 0 HA SER A 9 5.880 -0.837 10.040 1.00 0.04 H new ATOM 0 HB2 SER A 9 8.025 -2.013 10.073 1.00 0.02 H new ATOM 0 HB3 SER A 9 6.737 -3.150 10.420 1.00 0.02 H new ATOM 0 HG SER A 9 8.213 -3.967 8.785 1.00 -0.55 H new ATOM 121 N ASN A 10 6.736 -1.127 6.813 1.00 -0.46 N ATOM 122 CA ASN A 10 7.208 -0.283 5.712 1.00 0.04 C ATOM 123 C ASN A 10 6.381 0.981 5.602 1.00 0.62 C ATOM 124 O ASN A 10 6.947 2.042 5.382 1.00 -0.50 O ATOM 125 CB ASN A 10 7.200 -1.018 4.343 1.00 -0.09 C ATOM 126 CG ASN A 10 8.451 -1.843 4.172 1.00 0.68 C ATOM 127 OD1 ASN A 10 9.501 -1.269 3.929 1.00 -0.47 O ATOM 128 ND2 ASN A 10 8.400 -3.181 4.291 1.00 -0.87 N ATOM 0 H ASN A 10 6.479 -2.080 6.557 1.00 -0.46 H new ATOM 0 HA ASN A 10 8.241 -0.029 5.951 1.00 0.04 H new ATOM 0 HB2 ASN A 10 6.323 -1.661 4.275 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 7.125 -0.291 3.535 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 9.248 -3.736 4.178 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 7.513 -3.641 4.494 1.00 -0.87 H new ATOM 135 N LEU A 11 5.039 0.897 5.748 1.00 -0.46 N ATOM 136 CA LEU A 11 4.202 2.093 5.635 1.00 0.04 C ATOM 137 C LEU A 11 4.016 2.803 6.963 1.00 0.62 C ATOM 138 O LEU A 11 3.043 3.528 7.102 1.00 -0.50 O ATOM 139 CB LEU A 11 2.897 1.781 4.832 1.00 -0.06 C ATOM 140 CG LEU A 11 3.122 1.783 3.288 1.00 -0.01 C ATOM 141 CD1 LEU A 11 3.720 0.432 2.816 1.00 -0.11 C ATOM 142 CD2 LEU A 11 1.823 2.130 2.510 1.00 -0.11 C ATOM 0 H LEU A 11 4.531 0.033 5.939 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.726 2.839 5.038 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.512 0.808 5.137 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 2.135 2.519 5.085 1.00 -0.06 H new ATOM 0 HG LEU A 11 3.843 2.569 3.065 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 3.868 0.457 1.736 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 4.677 0.266 3.310 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 3.035 -0.377 3.070 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 2.026 2.120 1.439 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 1.053 1.393 2.740 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 1.476 3.121 2.804 1.00 -0.11 H new ATOM 154 N ALA A 12 4.935 2.673 7.952 1.00 -0.46 N ATOM 155 CA ALA A 12 4.707 3.334 9.236 1.00 0.04 C ATOM 156 C ALA A 12 4.504 4.827 9.064 1.00 0.62 C ATOM 157 O ALA A 12 3.490 5.302 9.550 1.00 -0.50 O ATOM 158 CB ALA A 12 5.746 3.027 10.349 1.00 -0.10 C ATOM 0 H ALA A 12 5.801 2.138 7.881 1.00 -0.46 H new ATOM 0 HA ALA A 12 3.784 2.887 9.604 1.00 0.04 H new ATOM 0 HB1 ALA A 12 5.479 3.569 11.256 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 5.753 1.957 10.555 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 6.737 3.339 10.018 1.00 -0.10 H new ATOM 164 N PRO A 13 5.371 5.632 8.397 1.00 -0.23 N ATOM 165 CA PRO A 13 5.080 7.055 8.301 1.00 0.04 C ATOM 166 C PRO A 13 3.901 7.305 7.391 1.00 0.53 C ATOM 167 O PRO A 13 3.193 8.278 7.599 1.00 -0.50 O ATOM 168 CB PRO A 13 6.399 7.604 7.700 1.00 -0.12 C ATOM 169 CG PRO A 13 7.416 6.440 7.804 1.00 -0.12 C ATOM 170 CD PRO A 13 6.566 5.154 7.715 1.00 -0.01 C ATOM 0 HA PRO A 13 4.804 7.523 9.246 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.260 7.912 6.664 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 6.746 8.479 8.249 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 8.149 6.484 6.999 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 7.969 6.483 8.742 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.371 4.847 6.687 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 7.029 4.306 8.219 1.00 -0.01 H new ATOM 178 N CYS A 14 3.667 6.441 6.373 1.00 -0.46 N ATOM 179 CA CYS A 14 2.516 6.641 5.508 1.00 0.04 C ATOM 180 C CYS A 14 1.244 6.552 6.331 1.00 0.62 C ATOM 181 O CYS A 14 0.277 7.188 5.956 1.00 -0.50 O ATOM 182 CB CYS A 14 2.402 5.634 4.337 1.00 -0.10 C ATOM 183 SG CYS A 14 3.520 5.868 2.920 1.00 0.82 S ATOM 0 H CYS A 14 4.246 5.632 6.149 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.656 7.627 5.064 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.568 4.633 4.736 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.377 5.663 3.966 1.00 -0.10 H new ATOM 188 N LEU A 15 1.188 5.786 7.445 1.00 -0.46 N ATOM 189 CA LEU A 15 -0.044 5.746 8.248 1.00 0.04 C ATOM 190 C LEU A 15 -0.483 7.142 8.654 1.00 0.62 C ATOM 191 O LEU A 15 -1.667 7.447 8.644 1.00 -0.50 O ATOM 192 CB LEU A 15 0.092 4.899 9.545 1.00 -0.06 C ATOM 193 CG LEU A 15 0.426 3.389 9.343 1.00 -0.01 C ATOM 194 CD1 LEU A 15 0.616 2.709 10.728 1.00 -0.11 C ATOM 195 CD2 LEU A 15 -0.650 2.644 8.502 1.00 -0.11 C ATOM 0 H LEU A 15 1.953 5.209 7.794 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.785 5.278 7.600 1.00 0.04 H new ATOM 0 HB2 LEU A 15 0.870 5.343 10.165 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -0.841 4.973 10.103 1.00 -0.06 H new ATOM 0 HG LEU A 15 1.354 3.328 8.775 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 0.849 1.654 10.586 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 1.434 3.193 11.262 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 -0.302 2.803 11.308 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 -0.366 1.597 8.393 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 -1.614 2.708 9.006 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 -0.724 3.104 7.517 1.00 -0.11 H new ATOM 207 N ALA A 16 0.474 8.018 9.027 1.00 -0.46 N ATOM 208 CA ALA A 16 0.110 9.392 9.377 1.00 0.04 C ATOM 209 C ALA A 16 -0.198 10.200 8.134 1.00 0.62 C ATOM 210 O ALA A 16 -1.052 11.072 8.177 1.00 -0.50 O ATOM 211 CB ALA A 16 1.250 10.049 10.191 1.00 -0.10 C ATOM 0 H ALA A 16 1.469 7.802 9.090 1.00 -0.46 H new ATOM 0 HA ALA A 16 -0.790 9.369 9.991 1.00 0.04 H new ATOM 0 HB1 ALA A 16 0.972 11.071 10.448 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 1.420 9.479 11.104 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 2.163 10.060 9.595 1.00 -0.10 H new ATOM 217 N TYR A 17 0.485 9.918 7.004 1.00 -0.46 N ATOM 218 CA TYR A 17 0.139 10.578 5.739 1.00 0.04 C ATOM 219 C TYR A 17 -1.243 10.166 5.283 1.00 0.62 C ATOM 220 O TYR A 17 -1.960 10.983 4.730 1.00 -0.50 O ATOM 221 CB TYR A 17 1.171 10.162 4.660 1.00 -0.10 C ATOM 222 CG TYR A 17 1.109 10.896 3.307 1.00 -0.03 C ATOM 223 CD1 TYR A 17 1.028 12.292 3.241 1.00 0.00 C ATOM 224 CD2 TYR A 17 1.169 10.163 2.123 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.946 12.939 2.008 1.00 -0.26 C ATOM 226 CE2 TYR A 17 1.101 10.807 0.880 1.00 -0.26 C ATOM 227 CZ TYR A 17 0.960 12.192 0.819 1.00 0.46 C ATOM 228 OH TYR A 17 0.831 12.818 -0.418 1.00 -0.53 O ATOM 0 H TYR A 17 1.258 9.255 6.946 1.00 -0.46 H new ATOM 0 HA TYR A 17 0.152 11.658 5.887 1.00 0.04 H new ATOM 0 HB2 TYR A 17 2.169 10.302 5.075 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 1.051 9.095 4.471 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 1.029 12.872 4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.269 9.088 2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.872 14.016 1.968 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 1.158 10.230 -0.031 1.00 -0.26 H new ATOM 0 HH TYR A 17 1.205 13.722 -0.368 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.656 8.902 5.514 1.00 -0.46 N ATOM 239 CA LEU A 18 -3.012 8.467 5.156 1.00 0.04 C ATOM 240 C LEU A 18 -4.058 9.320 5.848 1.00 0.62 C ATOM 241 O LEU A 18 -5.065 9.658 5.243 1.00 -0.50 O ATOM 242 CB LEU A 18 -3.232 6.970 5.518 1.00 -0.06 C ATOM 243 CG LEU A 18 -2.636 6.017 4.438 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -2.684 4.546 4.951 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -3.400 6.180 3.086 1.00 -0.11 C ATOM 0 H LEU A 18 -1.077 8.179 5.940 1.00 -0.46 H new ATOM 0 HA LEU A 18 -3.119 8.587 4.078 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -2.771 6.758 6.483 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -4.299 6.775 5.625 1.00 -0.06 H new ATOM 0 HG LEU A 18 -1.594 6.280 4.258 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -2.267 3.883 4.193 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -2.101 4.461 5.868 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -3.718 4.264 5.151 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -2.972 5.508 2.343 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -4.453 5.937 3.231 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -3.310 7.209 2.739 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.807 9.695 7.120 1.00 -0.46 N ATOM 258 CA ARG A 19 -4.683 10.653 7.801 1.00 0.04 C ATOM 259 C ARG A 19 -4.604 12.062 7.223 1.00 0.62 C ATOM 260 O ARG A 19 -5.315 12.926 7.709 1.00 -0.50 O ATOM 261 CB ARG A 19 -4.292 10.705 9.303 1.00 -0.08 C ATOM 262 CG ARG A 19 -4.645 9.429 10.109 1.00 -0.10 C ATOM 263 CD ARG A 19 -3.923 9.452 11.483 1.00 -0.23 C ATOM 264 NE ARG A 19 -4.376 8.366 12.361 1.00 -0.32 N ATOM 265 CZ ARG A 19 -3.968 7.119 12.279 1.00 0.76 C ATOM 266 NH1 ARG A 19 -3.108 6.694 11.382 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -4.454 6.247 13.131 1.00 -0.62 N ATOM 0 H ARG A 19 -3.024 9.356 7.679 1.00 -0.46 H new ATOM 0 HA ARG A 19 -5.707 10.308 7.660 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -3.219 10.881 9.379 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -4.789 11.559 9.764 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -5.723 9.369 10.257 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -4.350 8.542 9.549 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -2.847 9.368 11.329 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -4.102 10.411 11.970 1.00 -0.23 H new ATOM 0 HE ARG A 19 -5.056 8.595 13.086 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -2.719 7.345 10.700 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -2.829 5.713 11.368 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -5.131 6.544 13.834 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -4.155 5.273 13.090 1.00 -0.62 H new ATOM 281 N ASN A 20 -3.759 12.354 6.209 1.00 -0.46 N ATOM 282 CA ASN A 20 -3.607 13.717 5.696 1.00 0.04 C ATOM 283 C ASN A 20 -3.285 14.678 6.818 1.00 0.62 C ATOM 284 O ASN A 20 -3.856 15.755 6.876 1.00 -0.50 O ATOM 285 CB ASN A 20 -4.831 14.116 4.831 1.00 -0.09 C ATOM 286 CG ASN A 20 -4.574 15.368 4.018 1.00 0.68 C ATOM 287 OD1 ASN A 20 -3.527 15.478 3.399 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -5.504 16.341 3.966 1.00 -0.87 N ATOM 0 H ASN A 20 -3.178 11.661 5.737 1.00 -0.46 H new ATOM 0 HA ASN A 20 -2.751 13.765 5.023 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -5.083 13.295 4.160 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -5.694 14.276 5.477 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -5.336 17.177 3.407 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -6.376 16.241 4.486 1.00 -0.87 H new ATOM 295 N THR A 21 -2.348 14.269 7.707 1.00 -0.46 N ATOM 296 CA THR A 21 -1.935 15.121 8.830 1.00 0.04 C ATOM 297 C THR A 21 -0.439 15.049 9.101 1.00 0.62 C ATOM 298 O THR A 21 0.158 16.105 9.243 1.00 -0.50 O ATOM 299 CB THR A 21 -2.764 14.826 10.117 1.00 0.17 C ATOM 300 OG1 THR A 21 -2.647 15.896 11.072 1.00 -0.55 O ATOM 301 CG2 THR A 21 -2.376 13.495 10.811 1.00 -0.19 C ATOM 0 H THR A 21 -1.874 13.367 7.664 1.00 -0.46 H new ATOM 0 HA THR A 21 -2.149 16.147 8.530 1.00 0.04 H new ATOM 0 HB THR A 21 -3.795 14.737 9.776 1.00 0.17 H new ATOM 0 HG1 THR A 21 -3.178 15.684 11.868 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -2.993 13.354 11.699 1.00 -0.19 H new ATOM 0 HG22 THR A 21 -2.537 12.665 10.122 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -1.326 13.528 11.100 1.00 -0.19 H new ATOM 309 N GLY A 22 0.211 13.857 9.177 1.00 -0.46 N ATOM 310 CA GLY A 22 1.653 13.813 9.417 1.00 0.04 C ATOM 311 C GLY A 22 2.394 13.587 8.119 1.00 0.62 C ATOM 312 O GLY A 22 1.802 13.010 7.221 1.00 -0.50 O ATOM 0 H GLY A 22 -0.237 12.946 9.077 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 1.981 14.747 9.873 1.00 0.04 H new ATOM 0 HA3 GLY A 22 1.887 13.015 10.121 1.00 0.04 H new ATOM 316 N PRO A 23 3.674 14.004 7.956 1.00 -0.23 N ATOM 317 CA PRO A 23 4.337 13.826 6.667 1.00 0.04 C ATOM 318 C PRO A 23 4.764 12.395 6.401 1.00 0.53 C ATOM 319 O PRO A 23 5.200 11.732 7.328 1.00 -0.50 O ATOM 320 CB PRO A 23 5.576 14.737 6.887 1.00 -0.12 C ATOM 321 CG PRO A 23 5.830 14.663 8.411 1.00 -0.12 C ATOM 322 CD PRO A 23 4.409 14.687 9.013 1.00 -0.01 C ATOM 0 HA PRO A 23 3.706 14.063 5.810 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.438 14.382 6.321 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.382 15.760 6.564 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 6.367 13.755 8.685 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.428 15.505 8.760 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 4.352 14.162 9.967 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 4.046 15.700 9.185 1.00 -0.01 H new ATOM 330 N LEU A 24 4.655 11.907 5.137 1.00 -0.46 N ATOM 331 CA LEU A 24 5.202 10.597 4.785 1.00 0.04 C ATOM 332 C LEU A 24 6.712 10.567 4.786 1.00 0.62 C ATOM 333 O LEU A 24 7.288 9.524 5.050 1.00 -0.50 O ATOM 334 CB LEU A 24 4.709 10.041 3.427 1.00 -0.06 C ATOM 335 CG LEU A 24 5.296 10.635 2.097 1.00 -0.01 C ATOM 336 CD1 LEU A 24 4.954 9.700 0.903 1.00 -0.11 C ATOM 337 CD2 LEU A 24 4.773 12.076 1.795 1.00 -0.11 C ATOM 0 H LEU A 24 4.200 12.400 4.368 1.00 -0.46 H new ATOM 0 HA LEU A 24 4.819 9.953 5.577 1.00 0.04 H new ATOM 0 HB2 LEU A 24 4.904 8.969 3.421 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 3.627 10.168 3.394 1.00 -0.06 H new ATOM 0 HG LEU A 24 6.376 10.702 2.230 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 5.364 10.119 -0.016 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 5.386 8.714 1.077 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 3.872 9.611 0.809 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 5.212 12.435 0.864 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 3.687 12.057 1.700 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 5.054 12.743 2.610 1.00 -0.11 H new ATOM 349 N GLY A 25 7.402 11.684 4.476 1.00 -0.46 N ATOM 350 CA GLY A 25 8.865 11.668 4.471 1.00 0.04 C ATOM 351 C GLY A 25 9.422 10.604 3.544 1.00 0.62 C ATOM 352 O GLY A 25 9.128 10.661 2.360 1.00 -0.50 O ATOM 0 H GLY A 25 6.978 12.580 4.234 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 9.237 12.646 4.164 1.00 0.04 H new ATOM 0 HA3 GLY A 25 9.228 11.492 5.483 1.00 0.04 H new ATOM 356 N ARG A 26 10.226 9.626 4.037 1.00 -0.46 N ATOM 357 CA ARG A 26 10.847 8.638 3.146 1.00 0.04 C ATOM 358 C ARG A 26 10.016 7.371 3.072 1.00 0.62 C ATOM 359 O ARG A 26 10.544 6.340 2.686 1.00 -0.50 O ATOM 360 CB ARG A 26 12.298 8.345 3.629 1.00 -0.08 C ATOM 361 CG ARG A 26 13.124 9.642 3.892 1.00 -0.10 C ATOM 362 CD ARG A 26 14.415 9.409 4.731 1.00 -0.23 C ATOM 363 NE ARG A 26 14.122 8.900 6.081 1.00 -0.32 N ATOM 364 CZ ARG A 26 15.037 8.603 6.968 1.00 0.76 C ATOM 365 NH1 ARG A 26 16.319 8.797 6.763 1.00 -0.62 N ATOM 366 NH2 ARG A 26 14.670 8.088 8.119 1.00 -0.62 N ATOM 0 H ARG A 26 10.450 9.510 5.025 1.00 -0.46 H new ATOM 0 HA ARG A 26 10.892 9.046 2.136 1.00 0.04 H new ATOM 0 HB2 ARG A 26 12.259 7.754 4.544 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 12.810 7.740 2.880 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 13.399 10.086 2.935 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 12.492 10.365 4.409 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 15.060 8.701 4.211 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 14.967 10.345 4.810 1.00 -0.23 H new ATOM 0 HE ARG A 26 13.144 8.771 6.341 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 16.640 9.196 5.881 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 16.994 8.549 7.486 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 13.682 7.924 8.313 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 15.373 7.852 8.819 1.00 -0.62 H new ATOM 380 N CYS A 27 8.707 7.400 3.420 1.00 -0.46 N ATOM 381 CA CYS A 27 7.888 6.188 3.304 1.00 0.04 C ATOM 382 C CYS A 27 7.968 5.606 1.910 1.00 0.62 C ATOM 383 O CYS A 27 7.880 4.398 1.758 1.00 -0.50 O ATOM 384 CB CYS A 27 6.397 6.502 3.569 1.00 -0.10 C ATOM 385 SG CYS A 27 5.300 5.051 3.474 1.00 0.82 S ATOM 0 H CYS A 27 8.217 8.223 3.771 1.00 -0.46 H new ATOM 0 HA CYS A 27 8.275 5.482 4.039 1.00 0.04 H new ATOM 0 HB2 CYS A 27 6.302 6.951 4.558 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 6.060 7.246 2.847 1.00 -0.10 H new ATOM 390 N CYS A 28 8.113 6.461 0.871 1.00 -0.46 N ATOM 391 CA CYS A 28 8.224 5.931 -0.485 1.00 0.04 C ATOM 392 C CYS A 28 9.264 4.832 -0.545 1.00 0.62 C ATOM 393 O CYS A 28 9.027 3.855 -1.234 1.00 -0.50 O ATOM 394 CB CYS A 28 8.590 7.002 -1.546 1.00 -0.10 C ATOM 395 SG CYS A 28 7.367 8.347 -1.749 1.00 0.82 S ATOM 0 H CYS A 28 8.153 7.477 0.949 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.232 5.547 -0.725 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.550 7.443 -1.278 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 8.724 6.507 -2.508 1.00 -0.10 H new ATOM 400 N GLY A 29 10.406 4.947 0.167 1.00 -0.46 N ATOM 401 CA GLY A 29 11.370 3.847 0.151 1.00 0.04 C ATOM 402 C GLY A 29 10.720 2.557 0.599 1.00 0.62 C ATOM 403 O GLY A 29 10.924 1.524 -0.017 1.00 -0.50 O ATOM 0 H GLY A 29 10.668 5.754 0.733 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.774 3.726 -0.854 1.00 0.04 H new ATOM 0 HA3 GLY A 29 12.209 4.083 0.805 1.00 0.04 H new ATOM 407 N GLY A 30 9.917 2.593 1.684 1.00 -0.46 N ATOM 408 CA GLY A 30 9.248 1.372 2.128 1.00 0.04 C ATOM 409 C GLY A 30 8.265 0.873 1.090 1.00 0.62 C ATOM 410 O GLY A 30 8.228 -0.317 0.820 1.00 -0.50 O ATOM 0 H GLY A 30 9.727 3.424 2.244 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 9.991 0.600 2.328 1.00 0.04 H new ATOM 0 HA3 GLY A 30 8.725 1.562 3.065 1.00 0.04 H new ATOM 414 N VAL A 31 7.454 1.773 0.484 1.00 -0.46 N ATOM 415 CA VAL A 31 6.520 1.325 -0.558 1.00 0.04 C ATOM 416 C VAL A 31 7.363 0.679 -1.648 1.00 0.62 C ATOM 417 O VAL A 31 7.115 -0.447 -2.049 1.00 -0.50 O ATOM 418 CB VAL A 31 5.646 2.475 -1.162 1.00 -0.01 C ATOM 419 CG1 VAL A 31 4.631 1.919 -2.205 1.00 -0.09 C ATOM 420 CG2 VAL A 31 4.850 3.278 -0.091 1.00 -0.09 C ATOM 0 H VAL A 31 7.430 2.771 0.692 1.00 -0.46 H new ATOM 0 HA VAL A 31 5.807 0.630 -0.114 1.00 0.04 H new ATOM 0 HB VAL A 31 6.356 3.152 -1.637 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.037 2.739 -2.608 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.173 1.431 -3.015 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 3.972 1.197 -1.722 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.267 4.058 -0.580 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 4.179 2.605 0.444 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.546 3.733 0.614 1.00 -0.09 H new ATOM 430 N LYS A 32 8.395 1.408 -2.126 1.00 -0.46 N ATOM 431 CA LYS A 32 9.278 0.885 -3.169 1.00 0.04 C ATOM 432 C LYS A 32 9.814 -0.476 -2.783 1.00 0.62 C ATOM 433 O LYS A 32 9.845 -1.363 -3.622 1.00 -0.50 O ATOM 434 CB LYS A 32 10.458 1.868 -3.410 1.00 -0.10 C ATOM 435 CG LYS A 32 11.275 1.544 -4.688 1.00 -0.16 C ATOM 436 CD LYS A 32 12.443 2.560 -4.840 1.00 -0.18 C ATOM 437 CE LYS A 32 13.235 2.407 -6.171 1.00 -0.04 C ATOM 438 NZ LYS A 32 12.426 2.731 -7.375 1.00 -0.14 N ATOM 0 H LYS A 32 8.628 2.348 -1.805 1.00 -0.46 H new ATOM 0 HA LYS A 32 8.701 0.783 -4.088 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.067 2.883 -3.485 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.123 1.845 -2.547 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 11.669 0.529 -4.631 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 10.628 1.586 -5.564 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 12.043 3.572 -4.780 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 13.130 2.439 -4.003 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 14.109 3.058 -6.143 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 13.602 1.384 -6.252 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 13.014 2.626 -8.227 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 11.615 2.083 -7.433 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 12.083 3.711 -7.309 1.00 -0.14 H new ATOM 452 N ALA A 33 10.235 -0.651 -1.510 1.00 -0.46 N ATOM 453 CA ALA A 33 10.795 -1.934 -1.094 1.00 0.04 C ATOM 454 C ALA A 33 9.811 -3.038 -1.387 1.00 0.62 C ATOM 455 O ALA A 33 10.189 -4.062 -1.935 1.00 -0.50 O ATOM 456 CB ALA A 33 11.140 -1.996 0.420 1.00 -0.10 C ATOM 0 H ALA A 33 10.196 0.062 -0.781 1.00 -0.46 H new ATOM 0 HA ALA A 33 11.721 -2.055 -1.657 1.00 0.04 H new ATOM 0 HB1 ALA A 33 11.551 -2.977 0.660 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 11.875 -1.226 0.658 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 10.236 -1.828 1.006 1.00 -0.10 H new ATOM 462 N LEU A 34 8.528 -2.821 -1.019 1.00 -0.46 N ATOM 463 CA LEU A 34 7.517 -3.857 -1.216 1.00 0.04 C ATOM 464 C LEU A 34 7.406 -4.201 -2.681 1.00 0.62 C ATOM 465 O LEU A 34 7.286 -5.370 -2.998 1.00 -0.50 O ATOM 466 CB LEU A 34 6.106 -3.413 -0.755 1.00 -0.06 C ATOM 467 CG LEU A 34 6.022 -3.159 0.775 1.00 -0.01 C ATOM 468 CD1 LEU A 34 4.647 -2.512 1.088 1.00 -0.11 C ATOM 469 CD2 LEU A 34 6.275 -4.477 1.569 1.00 -0.11 C ATOM 0 H LEU A 34 8.185 -1.959 -0.596 1.00 -0.46 H new ATOM 0 HA LEU A 34 7.841 -4.709 -0.618 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.826 -2.503 -1.285 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 5.381 -4.179 -1.031 1.00 -0.06 H new ATOM 0 HG LEU A 34 6.803 -2.469 1.095 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 4.568 -2.325 2.159 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 4.557 -1.570 0.548 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 3.849 -3.186 0.777 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 6.211 -4.275 2.638 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 5.524 -5.217 1.294 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 7.267 -4.861 1.330 1.00 -0.11 H new ATOM 481 N VAL A 35 7.442 -3.200 -3.585 1.00 -0.46 N ATOM 482 CA VAL A 35 7.249 -3.475 -5.014 1.00 0.04 C ATOM 483 C VAL A 35 8.092 -4.648 -5.443 1.00 0.62 C ATOM 484 O VAL A 35 7.615 -5.530 -6.142 1.00 -0.50 O ATOM 485 CB VAL A 35 7.601 -2.272 -5.937 1.00 -0.01 C ATOM 486 CG1 VAL A 35 7.347 -2.622 -7.437 1.00 -0.09 C ATOM 487 CG2 VAL A 35 6.736 -1.047 -5.544 1.00 -0.09 C ATOM 0 H VAL A 35 7.599 -2.219 -3.354 1.00 -0.46 H new ATOM 0 HA VAL A 35 6.185 -3.686 -5.125 1.00 0.04 H new ATOM 0 HB VAL A 35 8.659 -2.041 -5.809 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 7.601 -1.764 -8.059 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 7.966 -3.473 -7.722 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 6.296 -2.874 -7.579 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 6.983 -0.205 -6.191 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 5.681 -1.295 -5.658 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 6.935 -0.779 -4.507 1.00 -0.09 H new ATOM 497 N ASN A 36 9.368 -4.665 -5.006 1.00 -0.46 N ATOM 498 CA ASN A 36 10.243 -5.784 -5.352 1.00 0.04 C ATOM 499 C ASN A 36 9.572 -7.087 -4.963 1.00 0.62 C ATOM 500 O ASN A 36 9.604 -8.037 -5.729 1.00 -0.50 O ATOM 501 CB ASN A 36 11.609 -5.639 -4.634 1.00 -0.09 C ATOM 502 CG ASN A 36 12.199 -4.277 -4.913 1.00 0.68 C ATOM 503 OD1 ASN A 36 12.190 -3.842 -6.054 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.716 -3.558 -3.897 1.00 -0.87 N ATOM 0 H ASN A 36 9.797 -3.939 -4.432 1.00 -0.46 H new ATOM 0 HA ASN A 36 10.423 -5.784 -6.427 1.00 0.04 H new ATOM 0 HB2 ASN A 36 11.481 -5.775 -3.560 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 12.292 -6.417 -4.975 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 13.109 -2.634 -4.075 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.714 -3.938 -2.951 1.00 -0.87 H new ATOM 511 N SER A 37 8.940 -7.112 -3.767 1.00 -0.46 N ATOM 512 CA SER A 37 8.131 -8.251 -3.344 1.00 0.04 C ATOM 513 C SER A 37 6.655 -7.917 -3.444 1.00 0.62 C ATOM 514 O SER A 37 5.918 -8.128 -2.494 1.00 -0.50 O ATOM 515 CB SER A 37 8.572 -8.634 -1.906 1.00 0.02 C ATOM 516 OG SER A 37 10.005 -8.660 -1.798 1.00 -0.55 O ATOM 0 H SER A 37 8.982 -6.352 -3.088 1.00 -0.46 H new ATOM 0 HA SER A 37 8.285 -9.111 -3.995 1.00 0.04 H new ATOM 0 HB2 SER A 37 8.163 -7.918 -1.193 1.00 0.02 H new ATOM 0 HB3 SER A 37 8.166 -9.611 -1.645 1.00 0.02 H new ATOM 0 HG SER A 37 10.260 -8.902 -0.883 1.00 -0.55 H new ATOM 522 N ALA A 38 6.210 -7.390 -4.608 1.00 -0.46 N ATOM 523 CA ALA A 38 4.780 -7.232 -4.870 1.00 0.04 C ATOM 524 C ALA A 38 4.484 -7.295 -6.358 1.00 0.62 C ATOM 525 O ALA A 38 3.632 -6.568 -6.844 1.00 -0.50 O ATOM 526 CB ALA A 38 4.217 -5.964 -4.160 1.00 -0.10 C ATOM 0 H ALA A 38 6.818 -7.074 -5.364 1.00 -0.46 H new ATOM 0 HA ALA A 38 4.245 -8.075 -4.432 1.00 0.04 H new ATOM 0 HB1 ALA A 38 3.152 -5.871 -4.372 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 4.367 -6.053 -3.084 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.738 -5.080 -4.527 1.00 -0.10 H new ATOM 532 N ARG A 39 5.176 -8.187 -7.106 1.00 -0.46 N ATOM 533 CA ARG A 39 4.937 -8.313 -8.548 1.00 0.04 C ATOM 534 C ARG A 39 4.931 -9.744 -9.075 1.00 0.62 C ATOM 535 O ARG A 39 4.867 -9.903 -10.286 1.00 -0.50 O ATOM 536 CB ARG A 39 5.950 -7.403 -9.308 1.00 -0.08 C ATOM 537 CG ARG A 39 5.516 -5.915 -9.477 1.00 -0.10 C ATOM 538 CD ARG A 39 4.236 -5.738 -10.345 1.00 -0.23 C ATOM 539 NE ARG A 39 4.107 -6.799 -11.358 1.00 -0.32 N ATOM 540 CZ ARG A 39 4.680 -6.771 -12.542 1.00 0.76 C ATOM 541 NH1 ARG A 39 5.419 -5.772 -12.960 1.00 -0.62 N ATOM 542 NH2 ARG A 39 4.509 -7.793 -13.345 1.00 -0.62 N ATOM 0 H ARG A 39 5.889 -8.815 -6.736 1.00 -0.46 H new ATOM 0 HA ARG A 39 3.918 -7.974 -8.737 1.00 0.04 H new ATOM 0 HB2 ARG A 39 6.903 -7.428 -8.779 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 6.123 -7.828 -10.297 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 5.341 -5.482 -8.492 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.334 -5.355 -9.931 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 3.357 -5.743 -9.700 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 4.264 -4.767 -10.839 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.535 -7.611 -11.126 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 5.573 -4.964 -12.357 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 5.840 -5.803 -13.889 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 3.942 -8.587 -13.047 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 4.943 -7.795 -14.268 1.00 -0.62 H new ATOM 556 N THR A 40 4.946 -10.801 -8.225 1.00 -0.46 N ATOM 557 CA THR A 40 4.876 -12.179 -8.716 1.00 0.04 C ATOM 558 C THR A 40 3.502 -12.729 -8.389 1.00 0.62 C ATOM 559 O THR A 40 3.388 -13.849 -7.917 1.00 -0.50 O ATOM 560 CB THR A 40 6.037 -13.005 -8.085 1.00 0.17 C ATOM 561 OG1 THR A 40 7.238 -12.217 -8.025 1.00 -0.55 O ATOM 562 CG2 THR A 40 6.337 -14.329 -8.840 1.00 -0.19 C ATOM 0 H THR A 40 5.005 -10.716 -7.210 1.00 -0.46 H new ATOM 0 HA THR A 40 5.005 -12.233 -9.797 1.00 0.04 H new ATOM 0 HB THR A 40 5.702 -13.272 -7.082 1.00 0.17 H new ATOM 0 HG1 THR A 40 7.958 -12.748 -7.625 1.00 -0.55 H new ATOM 0 HG21 THR A 40 7.156 -14.852 -8.346 1.00 -0.19 H new ATOM 0 HG22 THR A 40 5.448 -14.960 -8.835 1.00 -0.19 H new ATOM 0 HG23 THR A 40 6.618 -14.105 -9.869 1.00 -0.19 H new ATOM 570 N THR A 41 2.440 -11.932 -8.650 1.00 -0.46 N ATOM 571 CA THR A 41 1.059 -12.383 -8.443 1.00 0.04 C ATOM 572 C THR A 41 0.711 -12.614 -6.986 1.00 0.62 C ATOM 573 O THR A 41 -0.098 -11.876 -6.447 1.00 -0.50 O ATOM 574 CB THR A 41 0.699 -13.649 -9.270 1.00 0.17 C ATOM 575 OG1 THR A 41 1.199 -13.539 -10.615 1.00 -0.55 O ATOM 576 CG2 THR A 41 -0.842 -13.812 -9.365 1.00 -0.19 C ATOM 0 H THR A 41 2.520 -10.978 -9.003 1.00 -0.46 H new ATOM 0 HA THR A 41 0.454 -11.552 -8.806 1.00 0.04 H new ATOM 0 HB THR A 41 1.149 -14.504 -8.765 1.00 0.17 H new ATOM 0 HG1 THR A 41 0.964 -14.346 -11.119 1.00 -0.55 H new ATOM 0 HG21 THR A 41 -1.078 -14.703 -9.947 1.00 -0.19 H new ATOM 0 HG22 THR A 41 -1.260 -13.912 -8.363 1.00 -0.19 H new ATOM 0 HG23 THR A 41 -1.271 -12.936 -9.852 1.00 -0.19 H new ATOM 584 N GLU A 42 1.280 -13.635 -6.307 1.00 -0.46 N ATOM 585 CA GLU A 42 0.844 -13.927 -4.938 1.00 0.04 C ATOM 586 C GLU A 42 1.305 -12.812 -4.031 1.00 0.62 C ATOM 587 O GLU A 42 0.493 -12.197 -3.355 1.00 -0.50 O ATOM 588 CB GLU A 42 1.383 -15.309 -4.477 1.00 -0.18 C ATOM 589 CG GLU A 42 1.036 -15.614 -2.996 1.00 -0.40 C ATOM 590 CD GLU A 42 1.540 -16.988 -2.629 1.00 0.71 C ATOM 591 OE1 GLU A 42 2.788 -17.153 -2.523 1.00 -0.72 O ATOM 592 OE2 GLU A 42 0.693 -17.906 -2.454 1.00 -0.72 O ATOM 0 H GLU A 42 2.012 -14.244 -6.672 1.00 -0.46 H new ATOM 0 HA GLU A 42 -0.244 -13.982 -4.897 1.00 0.04 H new ATOM 0 HB2 GLU A 42 0.966 -16.089 -5.113 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 2.465 -15.336 -4.607 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 1.487 -14.865 -2.345 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 -0.042 -15.559 -2.846 1.00 -0.40 H new ATOM 599 N ASP A 43 2.624 -12.532 -4.026 1.00 -0.46 N ATOM 600 CA ASP A 43 3.126 -11.427 -3.222 1.00 0.04 C ATOM 601 C ASP A 43 2.404 -10.146 -3.538 1.00 0.62 C ATOM 602 O ASP A 43 2.029 -9.396 -2.648 1.00 -0.50 O ATOM 603 CB ASP A 43 4.674 -11.302 -3.309 1.00 -0.40 C ATOM 604 CG ASP A 43 5.222 -11.585 -4.682 1.00 0.71 C ATOM 605 OD1 ASP A 43 4.502 -11.255 -5.661 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.348 -12.140 -4.784 1.00 -0.72 O ATOM 0 H ASP A 43 3.331 -13.043 -4.554 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.908 -11.648 -2.177 1.00 0.04 H new ATOM 0 HB2 ASP A 43 4.967 -10.296 -3.010 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.127 -11.991 -2.596 1.00 -0.40 H new ATOM 611 N ARG A 44 2.165 -9.902 -4.834 1.00 -0.46 N ATOM 612 CA ARG A 44 1.329 -8.760 -5.176 1.00 0.04 C ATOM 613 C ARG A 44 -0.013 -8.809 -4.469 1.00 0.62 C ATOM 614 O ARG A 44 -0.427 -7.826 -3.870 1.00 -0.50 O ATOM 615 CB ARG A 44 1.168 -8.722 -6.708 1.00 -0.08 C ATOM 616 CG ARG A 44 0.391 -7.457 -7.122 1.00 -0.10 C ATOM 617 CD ARG A 44 0.656 -7.148 -8.604 1.00 -0.23 C ATOM 618 NE ARG A 44 0.473 -8.305 -9.489 1.00 -0.32 N ATOM 619 CZ ARG A 44 -0.619 -8.552 -10.179 1.00 0.76 C ATOM 620 NH1 ARG A 44 -1.710 -7.844 -10.086 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -0.599 -9.564 -11.018 1.00 -0.62 N ATOM 0 H ARG A 44 2.519 -10.449 -5.619 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.809 -7.843 -4.836 1.00 0.04 H new ATOM 0 HB2 ARG A 44 2.148 -8.730 -7.186 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.639 -9.612 -7.049 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -0.676 -7.604 -6.956 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 0.696 -6.612 -6.504 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -0.011 -6.348 -8.924 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 1.675 -6.776 -8.712 1.00 -0.23 H new ATOM 0 HE ARG A 44 1.247 -8.964 -9.575 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -1.748 -7.047 -9.450 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -2.525 -8.087 -10.649 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 0.245 -10.128 -11.117 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -1.428 -9.785 -11.570 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.713 -9.961 -4.516 1.00 -0.46 N ATOM 636 CA GLN A 45 -2.018 -10.052 -3.863 1.00 0.04 C ATOM 637 C GLN A 45 -1.934 -9.805 -2.372 1.00 0.62 C ATOM 638 O GLN A 45 -2.732 -9.049 -1.837 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.679 -11.444 -4.069 1.00 -0.10 C ATOM 640 CG GLN A 45 -3.278 -11.559 -5.493 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.773 -12.958 -5.763 1.00 0.68 C ATOM 642 OE1 GLN A 45 -3.089 -13.718 -6.429 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -4.955 -13.325 -5.235 1.00 -0.87 N ATOM 0 H GLN A 45 -0.403 -10.812 -4.985 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.623 -9.277 -4.333 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.939 -12.230 -3.915 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.462 -11.594 -3.326 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -4.100 -10.852 -5.603 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -2.523 -11.288 -6.231 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -5.496 -12.659 -4.684 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -5.310 -14.269 -5.386 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.977 -10.457 -1.682 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.853 -10.253 -0.247 1.00 0.04 C ATOM 654 C ILE A 46 -0.616 -8.784 0.003 1.00 0.62 C ATOM 655 O ILE A 46 -1.237 -8.241 0.903 1.00 -0.50 O ATOM 656 CB ILE A 46 0.308 -11.081 0.367 1.00 -0.01 C ATOM 657 CG1 ILE A 46 0.109 -12.617 0.228 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.586 -10.686 1.854 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -1.258 -13.172 0.684 1.00 -0.09 C ATOM 0 H ILE A 46 -0.304 -11.107 -2.089 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.773 -10.590 0.230 1.00 0.04 H new ATOM 0 HB ILE A 46 1.189 -10.826 -0.222 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 0.257 -12.888 -0.817 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 0.890 -13.117 0.801 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.406 -11.290 2.244 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 0.856 -9.631 1.906 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -0.309 -10.861 2.450 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -1.279 -14.252 0.540 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -1.410 -12.944 1.739 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -2.052 -12.712 0.096 1.00 -0.09 H new ATOM 671 N ALA A 47 0.287 -8.122 -0.749 1.00 -0.46 N ATOM 672 CA ALA A 47 0.545 -6.719 -0.465 1.00 0.04 C ATOM 673 C ALA A 47 -0.706 -5.912 -0.714 1.00 0.62 C ATOM 674 O ALA A 47 -1.114 -5.161 0.154 1.00 -0.50 O ATOM 675 CB ALA A 47 1.739 -6.192 -1.291 1.00 -0.10 C ATOM 0 H ALA A 47 0.821 -8.523 -1.520 1.00 -0.46 H new ATOM 0 HA ALA A 47 0.819 -6.615 0.585 1.00 0.04 H new ATOM 0 HB1 ALA A 47 1.907 -5.141 -1.057 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.633 -6.766 -1.046 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.521 -6.297 -2.354 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.358 -6.071 -1.884 1.00 -0.46 N ATOM 682 CA CYS A 48 -2.635 -5.394 -2.112 1.00 0.04 C ATOM 683 C CYS A 48 -3.581 -5.594 -0.945 1.00 0.62 C ATOM 684 O CYS A 48 -4.191 -4.634 -0.501 1.00 -0.50 O ATOM 685 CB CYS A 48 -3.369 -6.000 -3.340 1.00 -0.10 C ATOM 686 SG CYS A 48 -5.081 -5.393 -3.462 1.00 0.82 S ATOM 0 H CYS A 48 -1.028 -6.646 -2.659 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.395 -4.341 -2.257 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -2.826 -5.747 -4.251 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -3.372 -7.087 -3.263 1.00 -0.10 H new ATOM 691 N THR A 49 -3.735 -6.848 -0.469 1.00 -0.46 N ATOM 692 CA THR A 49 -4.732 -7.129 0.567 1.00 0.04 C ATOM 693 C THR A 49 -4.291 -6.466 1.856 1.00 0.62 C ATOM 694 O THR A 49 -5.062 -5.782 2.510 1.00 -0.50 O ATOM 695 CB THR A 49 -4.912 -8.655 0.834 1.00 0.17 C ATOM 696 OG1 THR A 49 -5.234 -9.393 -0.359 1.00 -0.55 O ATOM 697 CG2 THR A 49 -6.071 -8.918 1.829 1.00 -0.19 C ATOM 0 H THR A 49 -3.195 -7.656 -0.779 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.687 -6.739 0.216 1.00 0.04 H new ATOM 0 HB THR A 49 -3.954 -8.986 1.235 1.00 0.17 H new ATOM 0 HG1 THR A 49 -4.472 -9.369 -0.974 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -6.172 -9.991 1.995 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -5.857 -8.423 2.776 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -7.001 -8.526 1.417 1.00 -0.19 H new ATOM 705 N CYS A 50 -3.013 -6.669 2.236 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.506 -6.078 3.470 1.00 0.04 C ATOM 707 C CYS A 50 -2.617 -4.575 3.436 1.00 0.62 C ATOM 708 O CYS A 50 -3.010 -3.975 4.422 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.006 -6.410 3.628 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.787 -8.182 3.965 1.00 0.82 S ATOM 0 H CYS A 50 -2.335 -7.225 1.714 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.096 -6.483 4.292 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.468 -6.136 2.721 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.580 -5.822 4.441 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.257 -3.957 2.295 1.00 -0.46 N ATOM 716 CA LEU A 51 -2.376 -2.512 2.195 1.00 0.04 C ATOM 717 C LEU A 51 -3.836 -2.135 2.321 1.00 0.62 C ATOM 718 O LEU A 51 -4.175 -1.260 3.103 1.00 -0.50 O ATOM 719 CB LEU A 51 -1.871 -2.022 0.815 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.323 -2.078 0.613 1.00 -0.01 C ATOM 721 CD1 LEU A 51 0.095 -2.013 -0.886 1.00 -0.11 C ATOM 722 CD2 LEU A 51 0.414 -0.960 1.410 1.00 -0.11 C ATOM 0 H LEU A 51 -1.895 -4.425 1.464 1.00 -0.46 H new ATOM 0 HA LEU A 51 -1.781 -2.054 2.985 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -2.344 -2.623 0.039 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.203 -0.994 0.669 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.018 -3.048 1.006 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.181 -2.056 -0.963 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -0.340 -2.856 -1.422 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.263 -1.081 -1.324 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.488 -1.039 1.239 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 0.064 0.016 1.075 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 0.207 -1.075 2.474 1.00 -0.11 H new ATOM 734 N LYS A 52 -4.712 -2.808 1.543 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.143 -2.519 1.622 1.00 0.04 C ATOM 736 C LYS A 52 -6.576 -2.507 3.070 1.00 0.62 C ATOM 737 O LYS A 52 -7.260 -1.581 3.475 1.00 -0.50 O ATOM 738 CB LYS A 52 -6.937 -3.577 0.808 1.00 -0.10 C ATOM 739 CG LYS A 52 -8.456 -3.543 1.041 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.174 -4.679 0.288 1.00 -0.18 C ATOM 741 CE LYS A 52 -10.725 -4.596 0.394 1.00 -0.04 C ATOM 742 NZ LYS A 52 -11.221 -4.653 1.792 1.00 -0.14 N ATOM 0 H LYS A 52 -4.454 -3.534 0.874 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.347 -1.538 1.194 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -6.740 -3.425 -0.253 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -6.564 -4.569 1.062 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -8.662 -3.627 2.108 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -8.853 -2.582 0.714 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -8.885 -4.650 -0.763 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.839 -5.638 0.684 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -11.065 -3.669 -0.067 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -11.166 -5.415 -0.174 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -12.259 -4.593 1.795 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -10.925 -5.549 2.229 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -10.827 -3.857 2.333 1.00 -0.14 H new ATOM 756 N SER A 53 -6.178 -3.521 3.869 1.00 -0.46 N ATOM 757 CA SER A 53 -6.562 -3.535 5.282 1.00 0.04 C ATOM 758 C SER A 53 -5.808 -2.500 6.090 1.00 0.62 C ATOM 759 O SER A 53 -6.421 -1.924 6.974 1.00 -0.50 O ATOM 760 CB SER A 53 -6.391 -4.957 5.877 1.00 0.02 C ATOM 761 OG SER A 53 -5.105 -5.480 5.505 1.00 -0.55 O ATOM 0 H SER A 53 -5.610 -4.312 3.566 1.00 -0.46 H new ATOM 0 HA SER A 53 -7.616 -3.264 5.340 1.00 0.04 H new ATOM 0 HB2 SER A 53 -6.481 -4.922 6.963 1.00 0.02 H new ATOM 0 HB3 SER A 53 -7.182 -5.613 5.513 1.00 0.02 H new ATOM 0 HG SER A 53 -4.526 -4.746 5.210 1.00 -0.55 H new ATOM 767 N ALA A 54 -4.515 -2.206 5.825 1.00 -0.46 N ATOM 768 CA ALA A 54 -3.852 -1.128 6.565 1.00 0.04 C ATOM 769 C ALA A 54 -4.667 0.141 6.460 1.00 0.62 C ATOM 770 O ALA A 54 -4.956 0.751 7.478 1.00 -0.50 O ATOM 771 CB ALA A 54 -2.411 -0.831 6.070 1.00 -0.10 C ATOM 0 H ALA A 54 -3.936 -2.682 5.133 1.00 -0.46 H new ATOM 0 HA ALA A 54 -3.779 -1.470 7.598 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -1.982 -0.023 6.663 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -1.798 -1.725 6.178 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.440 -0.536 5.021 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.047 0.555 5.233 1.00 -0.46 N ATOM 778 CA ALA A 55 -5.830 1.785 5.098 1.00 0.04 C ATOM 779 C ALA A 55 -7.253 1.544 5.580 1.00 0.62 C ATOM 780 O ALA A 55 -7.824 2.403 6.237 1.00 -0.50 O ATOM 781 CB ALA A 55 -5.780 2.348 3.645 1.00 -0.10 C ATOM 0 H ALA A 55 -4.832 0.074 4.360 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.385 2.554 5.729 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -6.373 3.260 3.588 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -4.747 2.569 3.376 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -6.184 1.608 2.954 1.00 -0.10 H new ATOM 787 N GLY A 56 -7.845 0.366 5.267 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.220 0.081 5.678 1.00 0.04 C ATOM 789 C GLY A 56 -9.268 -0.275 7.143 1.00 0.62 C ATOM 790 O GLY A 56 -9.420 -1.446 7.454 1.00 -0.50 O ATOM 0 H GLY A 56 -7.393 -0.382 4.741 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -9.851 0.949 5.487 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -9.621 -0.741 5.084 1.00 0.04 H new ATOM 794 N ALA A 57 -9.134 0.729 8.038 1.00 -0.46 N ATOM 795 CA ALA A 57 -9.041 0.465 9.481 1.00 0.04 C ATOM 796 C ALA A 57 -8.892 1.763 10.255 1.00 0.62 C ATOM 797 O ALA A 57 -9.610 2.004 11.212 1.00 -0.50 O ATOM 798 CB ALA A 57 -7.811 -0.417 9.842 1.00 -0.10 C ATOM 0 H ALA A 57 -9.089 1.716 7.785 1.00 -0.46 H new ATOM 0 HA ALA A 57 -9.960 -0.056 9.748 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -7.786 -0.584 10.919 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -7.887 -1.375 9.328 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -6.897 0.089 9.532 1.00 -0.10 H new ATOM 804 N ILE A 58 -7.939 2.614 9.812 1.00 -0.46 N ATOM 805 CA ILE A 58 -7.701 3.924 10.432 1.00 0.04 C ATOM 806 C ILE A 58 -9.016 4.686 10.476 1.00 0.62 C ATOM 807 O ILE A 58 -9.761 4.586 9.515 1.00 -0.50 O ATOM 808 CB ILE A 58 -6.665 4.736 9.585 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -5.258 4.076 9.421 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -6.520 6.222 10.002 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -4.374 4.825 8.389 1.00 -0.09 C ATOM 0 H ILE A 58 -7.324 2.410 9.024 1.00 -0.46 H new ATOM 0 HA ILE A 58 -7.308 3.786 11.439 1.00 0.04 H new ATOM 0 HB ILE A 58 -7.129 4.712 8.599 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.752 4.060 10.386 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -5.380 3.039 9.108 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -5.783 6.709 9.364 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -7.481 6.725 9.895 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -6.194 6.278 11.041 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.407 4.329 8.310 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.866 4.818 7.416 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -4.228 5.855 8.715 1.00 -0.09 H new ATOM 823 N SER A 59 -9.344 5.453 11.547 1.00 -0.46 N ATOM 824 CA SER A 59 -10.607 6.206 11.550 1.00 0.04 C ATOM 825 C SER A 59 -10.574 7.397 10.605 1.00 0.62 C ATOM 826 O SER A 59 -11.447 7.525 9.759 1.00 -0.50 O ATOM 827 CB SER A 59 -10.972 6.679 12.982 1.00 0.02 C ATOM 828 OG SER A 59 -12.249 7.338 13.017 1.00 -0.55 O ATOM 0 H SER A 59 -8.772 5.560 12.385 1.00 -0.46 H new ATOM 0 HA SER A 59 -11.376 5.520 11.193 1.00 0.04 H new ATOM 0 HB2 SER A 59 -10.987 5.822 13.655 1.00 0.02 H new ATOM 0 HB3 SER A 59 -10.202 7.358 13.348 1.00 0.02 H new ATOM 0 HG SER A 59 -12.446 7.621 13.934 1.00 -0.55 H new ATOM 834 N GLY A 60 -9.570 8.299 10.711 1.00 -0.46 N ATOM 835 CA GLY A 60 -9.519 9.468 9.822 1.00 0.04 C ATOM 836 C GLY A 60 -8.799 9.228 8.508 1.00 0.62 C ATOM 837 O GLY A 60 -8.180 10.148 7.999 1.00 -0.50 O ATOM 0 H GLY A 60 -8.807 8.238 11.386 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -10.538 9.792 9.610 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -9.027 10.287 10.347 1.00 0.04 H new ATOM 841 N ILE A 61 -8.858 8.018 7.910 1.00 -0.46 N ATOM 842 CA ILE A 61 -8.150 7.788 6.644 1.00 0.04 C ATOM 843 C ILE A 61 -8.720 8.640 5.538 1.00 0.62 C ATOM 844 O ILE A 61 -9.932 8.655 5.402 1.00 -0.50 O ATOM 845 CB ILE A 61 -8.102 6.297 6.192 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -7.223 6.054 4.931 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -9.456 5.541 6.145 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -7.952 6.069 3.561 1.00 -0.09 C ATOM 0 H ILE A 61 -9.371 7.214 8.272 1.00 -0.46 H new ATOM 0 HA ILE A 61 -7.119 8.080 6.845 1.00 0.04 H new ATOM 0 HB ILE A 61 -7.588 5.822 7.028 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -6.442 6.814 4.909 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -6.727 5.090 5.042 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -9.289 4.515 5.816 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -9.904 5.535 7.139 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -10.128 6.041 5.447 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -7.231 5.888 2.763 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -8.714 5.289 3.546 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -8.424 7.040 3.410 1.00 -0.09 H new ATOM 860 N ASN A 62 -7.891 9.351 4.734 1.00 -0.46 N ATOM 861 CA ASN A 62 -8.434 10.165 3.647 1.00 0.04 C ATOM 862 C ASN A 62 -8.345 9.387 2.352 1.00 0.62 C ATOM 863 O ASN A 62 -7.245 9.222 1.847 1.00 -0.50 O ATOM 864 CB ASN A 62 -7.693 11.522 3.530 1.00 -0.09 C ATOM 865 CG ASN A 62 -8.249 12.307 2.361 1.00 0.68 C ATOM 866 OD1 ASN A 62 -9.459 12.410 2.230 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -7.416 12.884 1.476 1.00 -0.87 N ATOM 0 H ASN A 62 -6.875 9.371 4.822 1.00 -0.46 H new ATOM 0 HA ASN A 62 -9.478 10.390 3.863 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -7.810 12.092 4.452 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -6.625 11.354 3.392 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -7.794 13.412 0.689 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -6.407 12.794 1.592 1.00 -0.87 H new ATOM 874 N LEU A 63 -9.487 8.903 1.809 1.00 -0.46 N ATOM 875 CA LEU A 63 -9.465 8.073 0.599 1.00 0.04 C ATOM 876 C LEU A 63 -8.599 8.662 -0.497 1.00 0.62 C ATOM 877 O LEU A 63 -7.815 7.941 -1.094 1.00 -0.50 O ATOM 878 CB LEU A 63 -10.927 7.860 0.102 1.00 -0.06 C ATOM 879 CG LEU A 63 -11.087 6.921 -1.132 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -10.831 5.428 -0.772 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -12.522 7.078 -1.721 1.00 -0.11 C ATOM 0 H LEU A 63 -10.418 9.074 2.189 1.00 -0.46 H new ATOM 0 HA LEU A 63 -9.017 7.113 0.854 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.516 7.454 0.924 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -11.353 8.832 -0.146 1.00 -0.06 H new ATOM 0 HG LEU A 63 -10.340 7.214 -1.870 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -10.954 4.813 -1.663 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -9.816 5.315 -0.390 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -11.543 5.110 -0.010 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -12.635 6.422 -2.584 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -13.258 6.810 -0.963 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -12.678 8.112 -2.029 1.00 -0.11 H new ATOM 893 N GLY A 64 -8.719 9.977 -0.782 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.890 10.569 -1.829 1.00 0.04 C ATOM 895 C GLY A 64 -6.414 10.350 -1.583 1.00 0.62 C ATOM 896 O GLY A 64 -5.680 10.173 -2.542 1.00 -0.50 O ATOM 0 H GLY A 64 -9.359 10.620 -0.316 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -8.163 10.139 -2.793 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -8.092 11.639 -1.888 1.00 0.04 H new ATOM 900 N LYS A 65 -5.948 10.363 -0.312 1.00 -0.46 N ATOM 901 CA LYS A 65 -4.528 10.115 -0.047 1.00 0.04 C ATOM 902 C LYS A 65 -4.227 8.663 -0.348 1.00 0.62 C ATOM 903 O LYS A 65 -3.293 8.389 -1.087 1.00 -0.50 O ATOM 904 CB LYS A 65 -4.081 10.493 1.403 1.00 -0.10 C ATOM 905 CG LYS A 65 -2.959 11.568 1.428 1.00 -0.16 C ATOM 906 CD LYS A 65 -3.476 12.949 0.933 1.00 -0.18 C ATOM 907 CE LYS A 65 -2.334 13.884 0.453 1.00 -0.04 C ATOM 908 NZ LYS A 65 -1.768 13.457 -0.854 1.00 -0.14 N ATOM 0 H LYS A 65 -6.519 10.537 0.515 1.00 -0.46 H new ATOM 0 HA LYS A 65 -3.951 10.769 -0.700 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -4.943 10.861 1.959 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -3.730 9.597 1.915 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -2.572 11.666 2.442 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -2.129 11.243 0.800 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -4.181 12.796 0.116 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -4.024 13.437 1.739 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -2.713 14.902 0.367 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -1.542 13.901 1.202 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -0.788 13.136 -0.720 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -2.338 12.678 -1.241 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -1.782 14.258 -1.517 1.00 -0.14 H new ATOM 922 N ALA A 66 -5.024 7.723 0.205 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.819 6.316 -0.127 1.00 0.04 C ATOM 924 C ALA A 66 -4.716 6.150 -1.629 1.00 0.62 C ATOM 925 O ALA A 66 -3.717 5.630 -2.101 1.00 -0.50 O ATOM 926 CB ALA A 66 -5.935 5.431 0.480 1.00 -0.10 C ATOM 0 H ALA A 66 -5.785 7.912 0.858 1.00 -0.46 H new ATOM 0 HA ALA A 66 -3.880 5.982 0.314 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.756 4.389 0.216 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -5.933 5.536 1.565 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.902 5.744 0.087 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.729 6.627 -2.386 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.658 6.578 -3.848 1.00 0.04 C ATOM 934 C ALA A 67 -4.474 7.340 -4.406 1.00 0.62 C ATOM 935 O ALA A 67 -3.958 6.920 -5.429 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.993 7.039 -4.497 1.00 -0.10 C ATOM 0 H ALA A 67 -6.583 7.040 -2.012 1.00 -0.46 H new ATOM 0 HA ALA A 67 -5.500 5.533 -4.114 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -6.906 6.990 -5.582 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.802 6.386 -4.168 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -7.209 8.064 -4.196 1.00 -0.10 H new ATOM 942 N GLY A 68 -4.008 8.438 -3.777 1.00 -0.46 N ATOM 943 CA GLY A 68 -2.834 9.153 -4.282 1.00 0.04 C ATOM 944 C GLY A 68 -1.504 8.627 -3.793 1.00 0.62 C ATOM 945 O GLY A 68 -0.502 9.261 -4.087 1.00 -0.50 O ATOM 0 H GLY A 68 -4.422 8.838 -2.935 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -2.845 9.114 -5.371 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -2.918 10.203 -4.000 1.00 0.04 H new ATOM 949 N LEU A 69 -1.398 7.490 -3.068 1.00 -0.46 N ATOM 950 CA LEU A 69 -0.065 7.051 -2.636 1.00 0.04 C ATOM 951 C LEU A 69 0.825 6.651 -3.801 1.00 0.62 C ATOM 952 O LEU A 69 1.988 7.021 -3.733 1.00 -0.50 O ATOM 953 CB LEU A 69 -0.052 5.867 -1.631 1.00 -0.06 C ATOM 954 CG LEU A 69 -0.738 6.143 -0.256 1.00 -0.01 C ATOM 955 CD1 LEU A 69 -0.853 4.822 0.544 1.00 -0.11 C ATOM 956 CD2 LEU A 69 0.010 7.186 0.616 1.00 -0.11 C ATOM 0 H LEU A 69 -2.176 6.893 -2.786 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.318 7.938 -2.131 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.543 5.013 -2.097 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 0.983 5.579 -1.449 1.00 -0.06 H new ATOM 0 HG LEU A 69 -1.720 6.557 -0.485 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 -1.332 5.018 1.503 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 -1.450 4.106 -0.020 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 0.142 4.411 0.713 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 -0.525 7.326 1.555 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 1.019 6.830 0.823 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 0.062 8.136 0.083 1.00 -0.11 H new ATOM 968 N PRO A 70 0.420 5.928 -4.880 1.00 -0.23 N ATOM 969 CA PRO A 70 1.373 5.718 -5.958 1.00 0.04 C ATOM 970 C PRO A 70 1.757 7.058 -6.538 1.00 0.53 C ATOM 971 O PRO A 70 2.871 7.217 -7.006 1.00 -0.50 O ATOM 972 CB PRO A 70 0.559 4.914 -7.000 1.00 -0.12 C ATOM 973 CG PRO A 70 -0.733 4.487 -6.271 1.00 -0.12 C ATOM 974 CD PRO A 70 -0.945 5.474 -5.100 1.00 -0.01 C ATOM 0 HA PRO A 70 2.287 5.213 -5.646 1.00 0.04 H new ATOM 0 HB2 PRO A 70 0.333 5.522 -7.876 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 1.118 4.046 -7.350 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.584 4.509 -6.952 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -0.647 3.465 -5.902 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.616 6.292 -5.364 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -1.366 4.988 -4.220 1.00 -0.01 H new ATOM 982 N SER A 71 0.839 8.052 -6.537 1.00 -0.46 N ATOM 983 CA SER A 71 1.178 9.330 -7.152 1.00 0.04 C ATOM 984 C SER A 71 2.301 9.969 -6.371 1.00 0.62 C ATOM 985 O SER A 71 3.303 10.349 -6.953 1.00 -0.50 O ATOM 986 CB SER A 71 -0.062 10.267 -7.232 1.00 0.02 C ATOM 987 OG SER A 71 0.209 11.458 -7.997 1.00 -0.55 O ATOM 0 H SER A 71 -0.096 7.990 -6.134 1.00 -0.46 H new ATOM 0 HA SER A 71 1.508 9.158 -8.177 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.895 9.728 -7.683 1.00 0.02 H new ATOM 0 HB3 SER A 71 -0.371 10.546 -6.225 1.00 0.02 H new ATOM 0 HG SER A 71 -0.594 12.019 -8.025 1.00 -0.55 H new ATOM 993 N THR A 72 2.156 10.093 -5.037 1.00 -0.46 N ATOM 994 CA THR A 72 3.231 10.679 -4.239 1.00 0.04 C ATOM 995 C THR A 72 4.468 9.815 -4.275 1.00 0.62 C ATOM 996 O THR A 72 5.568 10.343 -4.301 1.00 -0.50 O ATOM 997 CB THR A 72 2.750 10.911 -2.779 1.00 0.17 C ATOM 998 OG1 THR A 72 1.493 11.620 -2.888 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.779 11.719 -1.936 1.00 -0.19 C ATOM 0 H THR A 72 1.331 9.804 -4.511 1.00 -0.46 H new ATOM 0 HA THR A 72 3.495 11.644 -4.671 1.00 0.04 H new ATOM 0 HB THR A 72 2.637 9.961 -2.257 1.00 0.17 H new ATOM 0 HG1 THR A 72 1.281 12.043 -2.030 1.00 -0.55 H new ATOM 0 HG21 THR A 72 3.395 11.854 -0.925 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.723 11.176 -1.896 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.940 12.694 -2.396 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.307 8.476 -4.256 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.438 7.578 -4.443 1.00 0.04 C ATOM 1009 C CYS A 73 5.312 6.923 -5.808 1.00 0.62 C ATOM 1010 O CYS A 73 4.871 5.787 -5.890 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.451 6.548 -3.283 1.00 -0.10 C ATOM 1012 SG CYS A 73 5.565 7.407 -1.676 1.00 0.82 S ATOM 0 H CYS A 73 3.412 8.008 -4.114 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.388 8.112 -4.418 1.00 0.04 H new ATOM 0 HB2 CYS A 73 4.546 5.942 -3.316 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 6.295 5.868 -3.401 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.712 7.634 -6.890 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.684 7.056 -8.236 1.00 0.04 C ATOM 1019 C GLY A 74 6.541 5.817 -8.345 1.00 0.62 C ATOM 1020 O GLY A 74 7.635 5.892 -8.885 1.00 -0.50 O ATOM 0 H GLY A 74 6.052 8.595 -6.849 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.656 6.809 -8.502 1.00 0.04 H new ATOM 0 HA3 GLY A 74 6.029 7.799 -8.955 1.00 0.04 H new ATOM 1024 N VAL A 75 6.040 4.667 -7.835 1.00 -0.46 N ATOM 1025 CA VAL A 75 6.767 3.400 -7.934 1.00 0.04 C ATOM 1026 C VAL A 75 6.073 2.560 -9.001 1.00 0.62 C ATOM 1027 O VAL A 75 5.373 3.145 -9.813 1.00 -0.50 O ATOM 1028 CB VAL A 75 6.872 2.770 -6.506 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 7.557 3.703 -5.465 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 5.497 2.274 -5.978 1.00 -0.09 C ATOM 0 H VAL A 75 5.142 4.601 -7.356 1.00 -0.46 H new ATOM 0 HA VAL A 75 7.801 3.503 -8.262 1.00 0.04 H new ATOM 0 HB VAL A 75 7.522 1.903 -6.627 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 7.596 3.202 -4.498 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.570 3.934 -5.795 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 6.986 4.627 -5.373 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 5.622 1.845 -4.984 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 4.803 3.113 -5.926 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 5.100 1.516 -6.653 1.00 -0.09 H new ATOM 1040 N ASN A 76 6.227 1.213 -9.041 1.00 -0.46 N ATOM 1041 CA ASN A 76 5.564 0.381 -10.048 1.00 0.04 C ATOM 1042 C ASN A 76 4.513 -0.507 -9.403 1.00 0.62 C ATOM 1043 O ASN A 76 4.687 -1.716 -9.408 1.00 -0.50 O ATOM 1044 CB ASN A 76 6.640 -0.454 -10.802 1.00 -0.09 C ATOM 1045 CG ASN A 76 7.541 0.431 -11.628 1.00 0.68 C ATOM 1046 OD1 ASN A 76 8.136 1.352 -11.091 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 7.679 0.180 -12.944 1.00 -0.87 N ATOM 0 H ASN A 76 6.806 0.690 -8.384 1.00 -0.46 H new ATOM 0 HA ASN A 76 5.046 1.015 -10.768 1.00 0.04 H new ATOM 0 HB2 ASN A 76 7.237 -1.015 -10.083 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 6.151 -1.183 -11.448 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 8.291 0.765 -13.513 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 7.172 -0.595 -13.371 1.00 -0.87 H new ATOM 1054 N ILE A 77 3.410 0.071 -8.861 1.00 -0.46 N ATOM 1055 CA ILE A 77 2.324 -0.736 -8.284 1.00 0.04 C ATOM 1056 C ILE A 77 1.083 -0.598 -9.149 1.00 0.62 C ATOM 1057 O ILE A 77 0.767 0.536 -9.473 1.00 -0.50 O ATOM 1058 CB ILE A 77 1.962 -0.394 -6.802 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 1.713 1.128 -6.563 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 3.033 -0.929 -5.813 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 1.541 1.476 -5.068 1.00 -0.09 C ATOM 0 H ILE A 77 3.258 1.079 -8.815 1.00 -0.46 H new ATOM 0 HA ILE A 77 2.694 -1.761 -8.267 1.00 0.04 H new ATOM 0 HB ILE A 77 1.019 -0.904 -6.606 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 2.549 1.697 -6.971 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 0.821 1.436 -7.109 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 2.747 -0.672 -4.793 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 3.106 -2.012 -5.907 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 3.998 -0.478 -6.043 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 1.371 2.547 -4.961 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 0.688 0.931 -4.663 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 2.443 1.196 -4.523 1.00 -0.09 H new ATOM 1073 N PRO A 78 0.347 -1.666 -9.564 1.00 -0.23 N ATOM 1074 CA PRO A 78 -0.857 -1.445 -10.351 1.00 0.04 C ATOM 1075 C PRO A 78 -2.010 -0.995 -9.490 1.00 0.53 C ATOM 1076 O PRO A 78 -2.798 -0.180 -9.943 1.00 -0.50 O ATOM 1077 CB PRO A 78 -1.102 -2.853 -10.936 1.00 -0.12 C ATOM 1078 CG PRO A 78 -0.467 -3.828 -9.925 1.00 -0.12 C ATOM 1079 CD PRO A 78 0.712 -3.053 -9.284 1.00 -0.01 C ATOM 0 HA PRO A 78 -0.759 -0.661 -11.102 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -2.167 -3.049 -11.056 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -0.646 -2.955 -11.921 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -1.190 -4.136 -9.170 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 -0.118 -4.734 -10.420 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 0.794 -3.246 -8.214 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 1.669 -3.322 -9.731 1.00 -0.01 H new ATOM 1087 N TYR A 79 -2.134 -1.514 -8.250 1.00 -0.46 N ATOM 1088 CA TYR A 79 -3.224 -1.083 -7.384 1.00 0.04 C ATOM 1089 C TYR A 79 -2.946 0.326 -6.922 1.00 0.62 C ATOM 1090 O TYR A 79 -1.798 0.740 -6.933 1.00 -0.50 O ATOM 1091 CB TYR A 79 -3.464 -2.027 -6.170 1.00 -0.10 C ATOM 1092 CG TYR A 79 -2.148 -2.576 -5.581 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -1.251 -1.762 -4.889 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -1.832 -3.921 -5.747 1.00 0.00 C ATOM 1095 CE1 TYR A 79 -0.103 -2.278 -4.309 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 -0.713 -4.468 -5.112 1.00 -0.26 C ATOM 1097 CZ TYR A 79 0.212 -3.640 -4.450 1.00 0.46 C ATOM 1098 OH TYR A 79 1.385 -4.184 -3.956 1.00 -0.53 O ATOM 0 H TYR A 79 -1.508 -2.210 -7.846 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.145 -1.121 -7.966 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.008 -1.487 -5.395 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -4.095 -2.860 -6.480 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -1.456 -0.705 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.455 -4.546 -6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.553 -1.630 -3.746 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -0.557 -5.537 -5.130 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.669 -3.683 -3.163 1.00 -0.53 H new ATOM 1108 N LYS A 80 -3.996 1.068 -6.500 1.00 -0.46 N ATOM 1109 CA LYS A 80 -3.792 2.420 -5.976 1.00 0.04 C ATOM 1110 C LYS A 80 -3.958 2.442 -4.471 1.00 0.62 C ATOM 1111 O LYS A 80 -4.431 3.413 -3.908 1.00 -0.50 O ATOM 1112 CB LYS A 80 -4.608 3.472 -6.775 1.00 -0.10 C ATOM 1113 CG LYS A 80 -6.126 3.161 -6.794 1.00 -0.16 C ATOM 1114 CD LYS A 80 -6.973 4.328 -7.376 1.00 -0.18 C ATOM 1115 CE LYS A 80 -8.490 4.074 -7.144 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -9.330 5.111 -7.794 1.00 -0.14 N ATOM 0 H LYS A 80 -4.967 0.755 -6.514 1.00 -0.46 H new ATOM 0 HA LYS A 80 -2.759 2.728 -6.138 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -4.448 4.458 -6.338 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -4.237 3.513 -7.799 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -6.301 2.262 -7.385 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -6.461 2.946 -5.779 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -6.680 5.267 -6.906 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -6.775 4.431 -8.443 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -8.758 3.092 -7.535 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -8.696 4.058 -6.074 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -10.334 4.906 -7.616 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -9.093 6.045 -7.403 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -9.153 5.109 -8.819 1.00 -0.14 H new ATOM 1130 N ILE A 81 -3.551 1.340 -3.805 1.00 -0.46 N ATOM 1131 CA ILE A 81 -3.541 1.257 -2.349 1.00 0.04 C ATOM 1132 C ILE A 81 -4.839 1.753 -1.747 1.00 0.62 C ATOM 1133 O ILE A 81 -4.796 2.436 -0.739 1.00 -0.50 O ATOM 1134 CB ILE A 81 -2.284 1.980 -1.752 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -0.989 1.800 -2.604 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -2.038 1.394 -0.342 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 0.346 2.105 -1.858 1.00 -0.09 C ATOM 0 H ILE A 81 -3.224 0.493 -4.269 1.00 -0.46 H new ATOM 0 HA ILE A 81 -3.463 0.205 -2.075 1.00 0.04 H new ATOM 0 HB ILE A 81 -2.494 3.050 -1.735 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -0.955 0.774 -2.971 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -1.055 2.449 -3.477 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -1.168 1.875 0.105 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -2.913 1.572 0.284 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -1.859 0.322 -0.420 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 1.185 1.950 -2.536 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 0.343 3.140 -1.515 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 0.444 1.439 -1.001 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.004 1.434 -2.349 1.00 -0.46 N ATOM 1150 CA SER A 82 -7.272 1.939 -1.820 1.00 0.04 C ATOM 1151 C SER A 82 -7.955 0.896 -0.955 1.00 0.62 C ATOM 1152 O SER A 82 -7.891 -0.258 -1.349 1.00 -0.50 O ATOM 1153 CB SER A 82 -8.212 2.406 -2.964 1.00 0.02 C ATOM 1154 OG SER A 82 -7.785 3.681 -3.459 1.00 -0.55 O ATOM 0 H SER A 82 -6.086 0.845 -3.178 1.00 -0.46 H new ATOM 0 HA SER A 82 -7.048 2.804 -1.196 1.00 0.04 H new ATOM 0 HB2 SER A 82 -8.208 1.673 -3.771 1.00 0.02 H new ATOM 0 HB3 SER A 82 -9.237 2.473 -2.599 1.00 0.02 H new ATOM 0 HG SER A 82 -6.816 3.667 -3.608 1.00 -0.55 H new ATOM 1160 N PRO A 83 -8.619 1.209 0.193 1.00 -0.23 N ATOM 1161 CA PRO A 83 -9.304 0.187 0.954 1.00 0.04 C ATOM 1162 C PRO A 83 -10.553 -0.270 0.249 1.00 0.53 C ATOM 1163 O PRO A 83 -11.640 -0.018 0.737 1.00 -0.50 O ATOM 1164 CB PRO A 83 -9.532 0.921 2.288 1.00 -0.12 C ATOM 1165 CG PRO A 83 -9.686 2.400 1.878 1.00 -0.12 C ATOM 1166 CD PRO A 83 -8.681 2.562 0.717 1.00 -0.01 C ATOM 0 HA PRO A 83 -8.766 -0.751 1.090 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -10.422 0.554 2.799 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -8.693 0.781 2.969 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -10.704 2.624 1.561 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -9.455 3.071 2.705 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -9.030 3.275 -0.030 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -7.709 2.912 1.063 1.00 -0.01 H new ATOM 1174 N SER A 84 -10.403 -0.951 -0.909 1.00 -0.46 N ATOM 1175 CA SER A 84 -11.558 -1.376 -1.697 1.00 0.04 C ATOM 1176 C SER A 84 -11.138 -2.407 -2.729 1.00 0.62 C ATOM 1177 O SER A 84 -11.726 -3.474 -2.780 1.00 -0.50 O ATOM 1178 CB SER A 84 -12.252 -0.142 -2.349 1.00 0.02 C ATOM 1179 OG SER A 84 -13.539 -0.463 -2.916 1.00 -0.55 O ATOM 0 H SER A 84 -9.500 -1.211 -1.307 1.00 -0.46 H new ATOM 0 HA SER A 84 -12.288 -1.850 -1.041 1.00 0.04 H new ATOM 0 HB2 SER A 84 -12.375 0.639 -1.599 1.00 0.02 H new ATOM 0 HB3 SER A 84 -11.607 0.263 -3.129 1.00 0.02 H new ATOM 0 HG SER A 84 -13.933 0.343 -3.310 1.00 -0.55 H new ATOM 1185 N THR A 85 -10.118 -2.102 -3.566 1.00 -0.46 N ATOM 1186 CA THR A 85 -9.606 -3.078 -4.540 1.00 0.04 C ATOM 1187 C THR A 85 -9.570 -4.514 -4.033 1.00 0.62 C ATOM 1188 O THR A 85 -8.692 -4.840 -3.249 1.00 -0.50 O ATOM 1189 CB THR A 85 -8.191 -2.693 -5.087 1.00 0.17 C ATOM 1190 OG1 THR A 85 -7.724 -3.671 -6.028 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -7.112 -2.428 -4.002 1.00 -0.19 C ATOM 0 H THR A 85 -9.643 -1.199 -3.582 1.00 -0.46 H new ATOM 0 HA THR A 85 -10.334 -3.036 -5.350 1.00 0.04 H new ATOM 0 HB THR A 85 -8.338 -1.734 -5.584 1.00 0.17 H new ATOM 0 HG1 THR A 85 -7.275 -4.398 -5.548 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -6.169 -2.169 -4.483 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -7.432 -1.604 -3.364 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -6.977 -3.324 -3.397 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.480 -5.421 -4.458 1.00 -0.46 N ATOM 1200 CA ASP A 86 -10.360 -6.807 -4.023 1.00 0.04 C ATOM 1201 C ASP A 86 -9.068 -7.413 -4.546 1.00 0.62 C ATOM 1202 O ASP A 86 -8.663 -7.077 -5.650 1.00 -0.50 O ATOM 1203 CB ASP A 86 -11.571 -7.652 -4.509 1.00 -0.40 C ATOM 1204 CG ASP A 86 -11.314 -9.126 -4.313 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -10.998 -9.535 -3.164 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -11.381 -9.902 -5.303 1.00 -0.72 O ATOM 0 H ASP A 86 -11.268 -5.220 -5.074 1.00 -0.46 H new ATOM 0 HA ASP A 86 -10.347 -6.817 -2.933 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -12.467 -7.359 -3.961 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -11.761 -7.449 -5.563 1.00 -0.40 H new ATOM 1211 N CYS A 87 -8.397 -8.313 -3.781 1.00 -0.46 N ATOM 1212 CA CYS A 87 -7.221 -9.010 -4.306 1.00 0.04 C ATOM 1213 C CYS A 87 -7.186 -10.471 -3.905 1.00 0.62 C ATOM 1214 O CYS A 87 -6.137 -10.962 -3.517 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.924 -8.248 -3.948 1.00 -0.10 C ATOM 1216 SG CYS A 87 -5.892 -6.650 -4.826 1.00 0.82 S ATOM 0 H CYS A 87 -8.651 -8.560 -2.825 1.00 -0.46 H new ATOM 0 HA CYS A 87 -7.296 -9.016 -5.393 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -5.872 -8.084 -2.872 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -5.053 -8.843 -4.223 1.00 -0.10 H new ATOM 1221 N SER A 88 -8.342 -11.169 -4.015 1.00 -0.46 N ATOM 1222 CA SER A 88 -8.424 -12.587 -3.652 1.00 0.04 C ATOM 1223 C SER A 88 -8.194 -13.512 -4.836 1.00 0.62 C ATOM 1224 O SER A 88 -7.682 -14.598 -4.616 1.00 -0.50 O ATOM 1225 CB SER A 88 -9.749 -12.919 -2.904 1.00 0.02 C ATOM 1226 OG SER A 88 -10.951 -12.573 -3.609 1.00 -0.55 O ATOM 0 H SER A 88 -9.218 -10.769 -4.350 1.00 -0.46 H new ATOM 0 HA SER A 88 -7.605 -12.772 -2.957 1.00 0.04 H new ATOM 0 HB2 SER A 88 -9.768 -13.987 -2.688 1.00 0.02 H new ATOM 0 HB3 SER A 88 -9.747 -12.400 -1.946 1.00 0.02 H new ATOM 0 HG SER A 88 -11.141 -11.620 -3.483 1.00 -0.55 H new ATOM 1232 N LYS A 89 -8.526 -13.131 -6.093 1.00 -0.46 N ATOM 1233 CA LYS A 89 -8.264 -14.005 -7.244 1.00 0.04 C ATOM 1234 C LYS A 89 -7.661 -13.213 -8.387 1.00 0.62 C ATOM 1235 O LYS A 89 -8.003 -13.415 -9.541 1.00 -0.50 O ATOM 1236 CB LYS A 89 -9.532 -14.783 -7.697 1.00 -0.10 C ATOM 1237 CG LYS A 89 -10.749 -13.856 -7.979 1.00 -0.16 C ATOM 1238 CD LYS A 89 -11.628 -13.677 -6.712 1.00 -0.18 C ATOM 1239 CE LYS A 89 -12.703 -12.565 -6.845 1.00 -0.04 C ATOM 1240 NZ LYS A 89 -13.663 -12.811 -7.951 1.00 -0.14 N ATOM 0 H LYS A 89 -8.967 -12.241 -6.326 1.00 -0.46 H new ATOM 0 HA LYS A 89 -7.540 -14.755 -6.926 1.00 0.04 H new ATOM 0 HB2 LYS A 89 -9.300 -15.351 -8.598 1.00 -0.10 H new ATOM 0 HB3 LYS A 89 -9.803 -15.504 -6.926 1.00 -0.10 H new ATOM 0 HG2 LYS A 89 -10.396 -12.883 -8.320 1.00 -0.16 H new ATOM 0 HG3 LYS A 89 -11.350 -14.277 -8.785 1.00 -0.16 H new ATOM 0 HD2 LYS A 89 -12.123 -14.622 -6.488 1.00 -0.18 H new ATOM 0 HD3 LYS A 89 -10.983 -13.446 -5.864 1.00 -0.18 H new ATOM 0 HE2 LYS A 89 -13.252 -12.485 -5.907 1.00 -0.04 H new ATOM 0 HE3 LYS A 89 -12.208 -11.607 -7.008 1.00 -0.04 H new ATOM 0 HZ1 LYS A 89 -14.355 -12.036 -7.989 1.00 -0.14 H new ATOM 0 HZ2 LYS A 89 -13.148 -12.860 -8.853 1.00 -0.14 H new ATOM 0 HZ3 LYS A 89 -14.159 -13.710 -7.786 1.00 -0.14 H new ATOM 1254 N VAL A 90 -6.735 -12.287 -8.068 1.00 -0.46 N ATOM 1255 CA VAL A 90 -6.063 -11.515 -9.118 1.00 0.04 C ATOM 1256 C VAL A 90 -5.021 -12.402 -9.754 1.00 0.62 C ATOM 1257 O VAL A 90 -4.404 -13.176 -9.040 1.00 -0.50 O ATOM 1258 CB VAL A 90 -5.411 -10.245 -8.500 1.00 -0.01 C ATOM 1259 CG1 VAL A 90 -4.376 -9.513 -9.389 1.00 -0.09 C ATOM 1260 CG2 VAL A 90 -6.510 -9.252 -8.044 1.00 -0.09 C ATOM 0 H VAL A 90 -6.445 -12.063 -7.116 1.00 -0.46 H new ATOM 0 HA VAL A 90 -6.776 -11.189 -9.875 1.00 0.04 H new ATOM 0 HB VAL A 90 -4.835 -10.617 -7.652 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 -3.988 -8.645 -8.856 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 -3.555 -10.190 -9.625 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 -4.855 -9.188 -10.313 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 -6.044 -8.366 -7.613 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 -7.117 -8.962 -8.902 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 -7.144 -9.729 -7.296 1.00 -0.09 H new ATOM 1270 N GLN A 91 -4.817 -12.304 -11.087 1.00 -0.46 N ATOM 1271 CA GLN A 91 -3.807 -13.117 -11.768 1.00 0.04 C ATOM 1272 C GLN A 91 -2.761 -12.195 -12.355 1.00 0.52 C ATOM 1273 O GLN A 91 -2.246 -11.332 -11.595 1.00 -0.71 O ATOM 1274 CB GLN A 91 -4.499 -14.000 -12.839 1.00 -0.10 C ATOM 1275 CG GLN A 91 -5.592 -14.897 -12.198 1.00 -0.10 C ATOM 1276 CD GLN A 91 -6.212 -15.796 -13.244 1.00 0.68 C ATOM 1277 OE1 GLN A 91 -6.786 -15.287 -14.194 1.00 -0.47 O ATOM 1278 NE2 GLN A 91 -6.122 -17.135 -13.115 1.00 -0.87 N ATOM 1279 OXT GLN A 91 -2.449 -12.301 -13.571 1.00 -0.71 O ATOM 0 H GLN A 91 -5.336 -11.675 -11.699 1.00 -0.46 H new ATOM 0 HA GLN A 91 -3.304 -13.790 -11.074 1.00 0.04 H new ATOM 0 HB2 GLN A 91 -4.946 -13.366 -13.604 1.00 -0.10 H new ATOM 0 HB3 GLN A 91 -3.756 -14.624 -13.336 1.00 -0.10 H new ATOM 0 HG2 GLN A 91 -5.156 -15.501 -11.402 1.00 -0.10 H new ATOM 0 HG3 GLN A 91 -6.361 -14.274 -11.741 1.00 -0.10 H new ATOM 0 HE21 GLN A 91 -5.638 -17.539 -12.313 1.00 -0.87 H new ATOM 0 HE22 GLN A 91 -6.538 -17.744 -13.819 1.00 -0.87 H new TER 1288 GLN A 91