USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 583 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 4 GLN : amide:sc= 1.03 K(o=3,f=1.5) USER MOD Set 1.2: A 73 THR OG1 : rot -82:sc= 1.95 USER MOD Single : A 3 THR OG1 : rot 79:sc= 1 USER MOD Single : A 16 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.6) USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.876) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 2.47 (180deg=2.47) USER MOD Single : A 31 SER OG : rot 99:sc= 1.29 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.167 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 151:sc= -0.343 (180deg=-1.27) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.756) USER MOD Single : A 64 LYS NZ :NH3+ -112:sc= 0.0662 (180deg=-0.218) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 0.534 (180deg=0.433) USER MOD Single : A 68 THR OG1 : rot -58:sc= 1.5 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= -0.587 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 8.875 8.431 -3.159 1.00 1.12 N ATOM 14 CA ALA A 2 8.411 9.619 -2.473 1.00 0.91 C ATOM 15 C ALA A 2 8.268 9.322 -0.986 1.00 0.87 C ATOM 16 O ALA A 2 8.605 8.209 -0.548 1.00 1.07 O ATOM 17 CB ALA A 2 7.092 10.054 -3.074 1.00 0.92 C ATOM 0 HA ALA A 2 9.130 10.430 -2.591 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.736 10.948 -2.562 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.229 10.272 -4.133 1.00 0.92 H new ATOM 0 HB3 ALA A 2 6.359 9.255 -2.960 1.00 0.92 H new ATOM 23 N THR A 3 7.762 10.269 -0.226 1.00 0.76 N ATOM 24 CA THR A 3 7.653 10.120 1.211 1.00 0.76 C ATOM 25 C THR A 3 6.249 9.595 1.600 1.00 0.56 C ATOM 26 O THR A 3 5.415 9.476 0.738 1.00 0.48 O ATOM 27 CB THR A 3 7.998 11.463 1.892 1.00 0.97 C ATOM 28 OG1 THR A 3 8.981 12.130 1.076 1.00 1.45 O ATOM 29 CG2 THR A 3 8.591 11.265 3.278 1.00 1.57 C ATOM 0 H THR A 3 7.416 11.160 -0.583 1.00 0.76 H new ATOM 0 HA THR A 3 8.367 9.376 1.563 1.00 0.76 H new ATOM 0 HB THR A 3 7.081 12.043 1.995 1.00 0.97 H new ATOM 0 HG1 THR A 3 8.538 12.558 0.314 1.00 1.45 H new ATOM 0 HG21 THR A 3 8.818 12.236 3.719 1.00 1.57 H new ATOM 0 HG22 THR A 3 7.874 10.739 3.909 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.506 10.678 3.202 1.00 1.57 H new ATOM 37 N GLN A 4 5.993 9.349 2.903 1.00 0.58 N ATOM 38 CA GLN A 4 4.765 8.673 3.390 1.00 0.52 C ATOM 39 C GLN A 4 3.461 9.157 2.769 1.00 0.49 C ATOM 40 O GLN A 4 2.735 8.360 2.188 1.00 0.51 O ATOM 41 CB GLN A 4 4.633 8.725 4.907 1.00 0.65 C ATOM 42 CG GLN A 4 5.709 7.995 5.669 1.00 1.14 C ATOM 43 CD GLN A 4 5.400 7.925 7.143 1.00 1.21 C ATOM 44 OE1 GLN A 4 5.769 8.809 7.907 1.00 1.64 O ATOM 45 NE2 GLN A 4 4.705 6.890 7.552 1.00 1.76 N ATOM 0 H GLN A 4 6.633 9.614 3.652 1.00 0.58 H new ATOM 0 HA GLN A 4 4.912 7.645 3.059 1.00 0.52 H new ATOM 0 HB2 GLN A 4 4.633 9.769 5.220 1.00 0.65 H new ATOM 0 HB3 GLN A 4 3.665 8.308 5.186 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.815 6.986 5.271 1.00 1.14 H new ATOM 0 HG3 GLN A 4 6.665 8.498 5.521 1.00 1.14 H new ATOM 0 HE21 GLN A 4 4.416 6.174 6.885 1.00 1.76 H new ATOM 0 HE22 GLN A 4 4.454 6.801 8.537 1.00 1.76 H new ATOM 54 N GLU A 5 3.184 10.438 2.863 1.00 0.53 N ATOM 55 CA GLU A 5 1.921 10.988 2.372 1.00 0.58 C ATOM 56 C GLU A 5 1.843 10.848 0.857 1.00 0.53 C ATOM 57 O GLU A 5 0.807 10.487 0.299 1.00 0.60 O ATOM 58 CB GLU A 5 1.804 12.452 2.782 1.00 0.72 C ATOM 59 CG GLU A 5 0.502 13.123 2.392 1.00 1.48 C ATOM 60 CD GLU A 5 0.464 14.558 2.830 1.00 2.18 C ATOM 61 OE1 GLU A 5 0.100 14.832 3.991 1.00 3.05 O ATOM 62 OE2 GLU A 5 0.766 15.445 2.014 1.00 2.49 O ATOM 0 H GLU A 5 3.812 11.128 3.275 1.00 0.53 H new ATOM 0 HA GLU A 5 1.092 10.433 2.811 1.00 0.58 H new ATOM 0 HB2 GLU A 5 1.922 12.522 3.863 1.00 0.72 H new ATOM 0 HB3 GLU A 5 2.629 13.006 2.335 1.00 0.72 H new ATOM 0 HG2 GLU A 5 0.374 13.069 1.311 1.00 1.48 H new ATOM 0 HG3 GLU A 5 -0.333 12.584 2.839 1.00 1.48 H new ATOM 69 N GLU A 6 2.968 11.061 0.228 1.00 0.50 N ATOM 70 CA GLU A 6 3.097 10.994 -1.213 1.00 0.50 C ATOM 71 C GLU A 6 2.966 9.531 -1.668 1.00 0.42 C ATOM 72 O GLU A 6 2.417 9.236 -2.740 1.00 0.43 O ATOM 73 CB GLU A 6 4.452 11.552 -1.597 1.00 0.59 C ATOM 74 CG GLU A 6 4.732 12.922 -1.007 1.00 1.06 C ATOM 75 CD GLU A 6 6.111 13.431 -1.321 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.098 12.892 -0.782 1.00 2.53 O ATOM 77 OE2 GLU A 6 6.240 14.382 -2.105 1.00 2.16 O ATOM 0 H GLU A 6 3.839 11.290 0.706 1.00 0.50 H new ATOM 0 HA GLU A 6 2.314 11.578 -1.697 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.227 10.859 -1.270 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.516 11.613 -2.683 1.00 0.59 H new ATOM 0 HG2 GLU A 6 3.995 13.631 -1.385 1.00 1.06 H new ATOM 0 HG3 GLU A 6 4.606 12.877 0.075 1.00 1.06 H new ATOM 84 N ILE A 7 3.473 8.624 -0.835 1.00 0.36 N ATOM 85 CA ILE A 7 3.351 7.205 -1.059 1.00 0.33 C ATOM 86 C ILE A 7 1.872 6.834 -0.998 1.00 0.30 C ATOM 87 O ILE A 7 1.353 6.225 -1.907 1.00 0.30 O ATOM 88 CB ILE A 7 4.131 6.360 0.004 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.646 6.578 -0.098 1.00 0.40 C ATOM 90 CG2 ILE A 7 3.814 4.874 -0.140 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.250 6.208 -1.436 1.00 0.45 C ATOM 0 H ILE A 7 3.981 8.866 0.016 1.00 0.36 H new ATOM 0 HA ILE A 7 3.782 6.980 -2.034 1.00 0.33 H new ATOM 0 HB ILE A 7 3.802 6.701 0.985 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.863 7.627 0.106 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.137 5.994 0.681 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.368 4.309 0.610 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.745 4.714 0.003 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.102 4.535 -1.135 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.324 6.395 -1.415 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.070 5.152 -1.637 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.792 6.810 -2.221 1.00 0.45 H new ATOM 103 N VAL A 8 1.212 7.222 0.100 1.00 0.31 N ATOM 104 CA VAL A 8 -0.226 6.974 0.318 1.00 0.35 C ATOM 105 C VAL A 8 -1.053 7.486 -0.870 1.00 0.34 C ATOM 106 O VAL A 8 -1.918 6.767 -1.398 1.00 0.36 O ATOM 107 CB VAL A 8 -0.715 7.647 1.637 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.211 7.516 1.798 1.00 0.57 C ATOM 109 CG2 VAL A 8 -0.038 7.019 2.832 1.00 0.49 C ATOM 0 H VAL A 8 1.660 7.720 0.869 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.367 5.897 0.405 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.456 8.704 1.578 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.520 7.995 2.727 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.711 7.997 0.957 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.483 6.461 1.826 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.390 7.500 3.744 1.00 0.49 H new ATOM 0 HG22 VAL A 8 -0.275 5.956 2.868 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.041 7.147 2.748 1.00 0.49 H new ATOM 119 N ALA A 9 -0.770 8.717 -1.287 1.00 0.37 N ATOM 120 CA ALA A 9 -1.426 9.327 -2.435 1.00 0.41 C ATOM 121 C ALA A 9 -1.250 8.459 -3.682 1.00 0.37 C ATOM 122 O ALA A 9 -2.185 8.285 -4.463 1.00 0.43 O ATOM 123 CB ALA A 9 -0.868 10.716 -2.679 1.00 0.48 C ATOM 0 H ALA A 9 -0.079 9.318 -0.837 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.492 9.408 -2.221 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.366 11.162 -3.540 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.039 11.336 -1.799 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.202 10.649 -2.874 1.00 0.48 H new ATOM 129 N GLY A 10 -0.060 7.895 -3.836 1.00 0.33 N ATOM 130 CA GLY A 10 0.221 7.022 -4.948 1.00 0.34 C ATOM 131 C GLY A 10 -0.511 5.702 -4.794 1.00 0.31 C ATOM 132 O GLY A 10 -1.094 5.207 -5.737 1.00 0.37 O ATOM 0 H GLY A 10 0.724 8.032 -3.198 1.00 0.33 H new ATOM 0 HA2 GLY A 10 -0.079 7.503 -5.879 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.294 6.843 -5.013 1.00 0.34 H new ATOM 136 N LEU A 11 -0.481 5.156 -3.570 1.00 0.26 N ATOM 137 CA LEU A 11 -1.120 3.880 -3.226 1.00 0.25 C ATOM 138 C LEU A 11 -2.563 3.878 -3.635 1.00 0.23 C ATOM 139 O LEU A 11 -3.030 2.947 -4.300 1.00 0.24 O ATOM 140 CB LEU A 11 -1.035 3.603 -1.711 1.00 0.28 C ATOM 141 CG LEU A 11 0.349 3.319 -1.122 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.260 3.220 0.392 1.00 0.33 C ATOM 143 CD2 LEU A 11 0.908 2.023 -1.685 1.00 0.32 C ATOM 0 H LEU A 11 -0.006 5.595 -2.781 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.585 3.099 -3.765 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.453 4.463 -1.188 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.677 2.751 -1.488 1.00 0.28 H new ATOM 0 HG LEU A 11 1.015 4.139 -1.392 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.249 3.018 0.802 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.115 4.160 0.797 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.418 2.411 0.665 1.00 0.33 H new ATOM 0 HD21 LEU A 11 1.892 1.835 -1.257 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.240 1.199 -1.434 1.00 0.32 H new ATOM 0 HD23 LEU A 11 0.993 2.104 -2.769 1.00 0.32 H new ATOM 155 N ALA A 12 -3.256 4.945 -3.274 1.00 0.23 N ATOM 156 CA ALA A 12 -4.661 5.088 -3.571 1.00 0.23 C ATOM 157 C ALA A 12 -4.932 5.023 -5.060 1.00 0.21 C ATOM 158 O ALA A 12 -5.897 4.409 -5.466 1.00 0.24 O ATOM 159 CB ALA A 12 -5.212 6.356 -2.985 1.00 0.28 C ATOM 0 H ALA A 12 -2.855 5.734 -2.767 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.174 4.246 -3.107 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.272 6.437 -3.225 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -5.085 6.342 -1.903 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.679 7.211 -3.402 1.00 0.28 H new ATOM 165 N GLU A 13 -4.018 5.578 -5.864 1.00 0.24 N ATOM 166 CA GLU A 13 -4.154 5.594 -7.322 1.00 0.29 C ATOM 167 C GLU A 13 -4.255 4.182 -7.866 1.00 0.28 C ATOM 168 O GLU A 13 -4.953 3.931 -8.848 1.00 0.37 O ATOM 169 CB GLU A 13 -2.976 6.316 -7.980 1.00 0.42 C ATOM 170 CG GLU A 13 -2.895 7.802 -7.682 1.00 0.94 C ATOM 171 CD GLU A 13 -4.059 8.570 -8.253 1.00 1.53 C ATOM 172 OE1 GLU A 13 -4.115 8.734 -9.485 1.00 1.55 O ATOM 173 OE2 GLU A 13 -4.936 9.019 -7.488 1.00 2.48 O ATOM 0 H GLU A 13 -3.168 6.026 -5.523 1.00 0.24 H new ATOM 0 HA GLU A 13 -5.070 6.135 -7.560 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.050 5.843 -7.654 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.041 6.179 -9.059 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.860 7.951 -6.603 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -1.966 8.201 -8.089 1.00 0.94 H new ATOM 180 N ILE A 14 -3.566 3.253 -7.241 1.00 0.24 N ATOM 181 CA ILE A 14 -3.684 1.889 -7.659 1.00 0.28 C ATOM 182 C ILE A 14 -4.907 1.252 -6.973 1.00 0.25 C ATOM 183 O ILE A 14 -5.668 0.529 -7.607 1.00 0.32 O ATOM 184 CB ILE A 14 -2.401 0.998 -7.447 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.143 1.568 -8.142 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.651 -0.394 -7.983 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.424 2.654 -7.380 1.00 0.44 C ATOM 0 H ILE A 14 -2.933 3.419 -6.459 1.00 0.24 H new ATOM 0 HA ILE A 14 -3.811 1.921 -8.741 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.212 0.983 -6.374 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.445 0.750 -8.323 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.433 1.961 -9.117 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -1.762 -1.006 -7.834 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.492 -0.842 -7.454 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -2.879 -0.338 -9.047 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.443 2.986 -7.951 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.099 3.495 -7.222 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.096 2.266 -6.416 1.00 0.44 H new ATOM 199 N VAL A 15 -5.144 1.584 -5.690 1.00 0.22 N ATOM 200 CA VAL A 15 -6.300 1.031 -4.963 1.00 0.22 C ATOM 201 C VAL A 15 -7.636 1.420 -5.660 1.00 0.22 C ATOM 202 O VAL A 15 -8.633 0.722 -5.536 1.00 0.25 O ATOM 203 CB VAL A 15 -6.346 1.403 -3.434 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.446 0.621 -2.714 1.00 0.30 C ATOM 205 CG2 VAL A 15 -5.024 1.119 -2.754 1.00 0.34 C ATOM 0 H VAL A 15 -4.562 2.220 -5.145 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.171 -0.051 -5.001 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.556 2.471 -3.375 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.457 0.896 -1.659 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.412 0.857 -3.161 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.254 -0.448 -2.808 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -5.092 1.388 -1.700 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -4.789 0.058 -2.844 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.237 1.706 -3.228 1.00 0.34 H new ATOM 215 N ASN A 16 -7.631 2.517 -6.431 1.00 0.24 N ATOM 216 CA ASN A 16 -8.799 2.903 -7.228 1.00 0.30 C ATOM 217 C ASN A 16 -9.118 1.867 -8.269 1.00 0.34 C ATOM 218 O ASN A 16 -10.251 1.432 -8.391 1.00 0.43 O ATOM 219 CB ASN A 16 -8.642 4.245 -7.952 1.00 0.37 C ATOM 220 CG ASN A 16 -8.726 5.462 -7.072 1.00 0.50 C ATOM 221 OD1 ASN A 16 -7.732 6.028 -6.672 1.00 0.95 O ATOM 222 ND2 ASN A 16 -9.914 5.853 -6.740 1.00 0.48 N ATOM 0 H ASN A 16 -6.834 3.148 -6.518 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.605 2.994 -6.499 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -7.680 4.253 -8.464 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -9.412 4.318 -8.720 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -10.033 6.658 -6.125 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.732 5.356 -7.093 1.00 0.48 H new ATOM 229 N GLU A 17 -8.123 1.457 -9.005 1.00 0.37 N ATOM 230 CA GLU A 17 -8.350 0.513 -10.087 1.00 0.48 C ATOM 231 C GLU A 17 -8.510 -0.911 -9.569 1.00 0.47 C ATOM 232 O GLU A 17 -9.131 -1.748 -10.212 1.00 0.60 O ATOM 233 CB GLU A 17 -7.264 0.608 -11.170 1.00 0.63 C ATOM 234 CG GLU A 17 -5.851 0.317 -10.704 1.00 1.05 C ATOM 235 CD GLU A 17 -4.851 0.437 -11.820 1.00 1.51 C ATOM 236 OE1 GLU A 17 -4.613 -0.547 -12.525 1.00 2.11 O ATOM 237 OE2 GLU A 17 -4.273 1.532 -12.011 1.00 1.70 O ATOM 0 H GLU A 17 -7.154 1.752 -8.886 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.292 0.791 -10.559 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.514 -0.086 -11.972 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -7.288 1.611 -11.597 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -5.585 1.007 -9.903 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -5.808 -0.689 -10.286 1.00 1.05 H new ATOM 244 N ILE A 18 -7.963 -1.172 -8.405 1.00 0.39 N ATOM 245 CA ILE A 18 -8.057 -2.486 -7.791 1.00 0.43 C ATOM 246 C ILE A 18 -9.414 -2.650 -7.101 1.00 0.44 C ATOM 247 O ILE A 18 -10.147 -3.604 -7.368 1.00 0.53 O ATOM 248 CB ILE A 18 -6.906 -2.680 -6.758 1.00 0.44 C ATOM 249 CG1 ILE A 18 -5.541 -2.565 -7.446 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.020 -4.013 -6.036 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.326 -3.542 -8.582 1.00 0.71 C ATOM 0 H ILE A 18 -7.442 -0.488 -7.856 1.00 0.39 H new ATOM 0 HA ILE A 18 -7.963 -3.243 -8.569 1.00 0.43 H new ATOM 0 HB ILE A 18 -6.996 -1.888 -6.014 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.426 -1.551 -7.829 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -4.759 -2.715 -6.701 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -6.201 -4.112 -5.324 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -7.970 -4.059 -5.504 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -6.971 -4.825 -6.761 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.335 -3.390 -9.010 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -5.406 -4.562 -8.205 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.082 -3.379 -9.350 1.00 0.71 H new ATOM 263 N ALA A 19 -9.749 -1.714 -6.246 1.00 0.40 N ATOM 264 CA ALA A 19 -10.980 -1.777 -5.492 1.00 0.46 C ATOM 265 C ALA A 19 -11.894 -0.614 -5.837 1.00 0.45 C ATOM 266 O ALA A 19 -13.018 -0.807 -6.293 1.00 0.68 O ATOM 267 CB ALA A 19 -10.676 -1.792 -4.002 1.00 0.52 C ATOM 0 H ALA A 19 -9.180 -0.890 -6.053 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.499 -2.698 -5.758 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.609 -1.840 -3.441 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.065 -2.663 -3.764 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.136 -0.885 -3.732 1.00 0.52 H new ATOM 273 N GLY A 20 -11.397 0.580 -5.665 1.00 0.44 N ATOM 274 CA GLY A 20 -12.199 1.755 -5.897 1.00 0.46 C ATOM 275 C GLY A 20 -12.461 2.474 -4.609 1.00 0.52 C ATOM 276 O GLY A 20 -13.367 2.120 -3.866 1.00 0.93 O ATOM 0 H GLY A 20 -10.440 0.768 -5.365 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.688 2.419 -6.594 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.144 1.472 -6.361 1.00 0.46 H new ATOM 280 N ILE A 21 -11.652 3.450 -4.321 1.00 0.38 N ATOM 281 CA ILE A 21 -11.759 4.202 -3.083 1.00 0.39 C ATOM 282 C ILE A 21 -11.672 5.699 -3.320 1.00 0.43 C ATOM 283 O ILE A 21 -11.260 6.131 -4.383 1.00 0.50 O ATOM 284 CB ILE A 21 -10.670 3.763 -2.039 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.299 3.448 -2.700 1.00 0.41 C ATOM 286 CG2 ILE A 21 -11.146 2.588 -1.204 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.590 4.597 -3.397 1.00 0.43 C ATOM 0 H ILE A 21 -10.894 3.756 -4.932 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.743 3.976 -2.672 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.517 4.616 -1.378 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -8.634 3.056 -1.931 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.449 2.651 -3.428 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -10.369 2.309 -0.492 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.050 2.868 -0.664 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.361 1.742 -1.856 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.647 4.243 -3.814 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.221 4.981 -4.199 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.393 5.392 -2.678 1.00 0.43 H new ATOM 299 N PRO A 22 -12.106 6.515 -2.376 1.00 0.52 N ATOM 300 CA PRO A 22 -11.862 7.930 -2.444 1.00 0.60 C ATOM 301 C PRO A 22 -10.408 8.182 -2.031 1.00 0.55 C ATOM 302 O PRO A 22 -9.955 7.696 -0.984 1.00 0.52 O ATOM 303 CB PRO A 22 -12.841 8.535 -1.416 1.00 0.74 C ATOM 304 CG PRO A 22 -13.707 7.399 -0.969 1.00 0.75 C ATOM 305 CD PRO A 22 -12.910 6.154 -1.202 1.00 0.63 C ATOM 0 HA PRO A 22 -12.008 8.361 -3.434 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -12.304 8.974 -0.575 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -13.437 9.330 -1.863 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -13.972 7.501 0.083 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.640 7.375 -1.532 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.287 5.903 -0.344 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.549 5.292 -1.395 1.00 0.63 H new ATOM 313 N VAL A 23 -9.685 8.931 -2.824 1.00 0.62 N ATOM 314 CA VAL A 23 -8.270 9.169 -2.570 1.00 0.65 C ATOM 315 C VAL A 23 -8.051 10.026 -1.338 1.00 0.73 C ATOM 316 O VAL A 23 -7.017 9.929 -0.689 1.00 1.02 O ATOM 317 CB VAL A 23 -7.541 9.789 -3.778 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.544 8.827 -4.945 1.00 1.48 C ATOM 319 CG2 VAL A 23 -8.190 11.098 -4.170 1.00 1.35 C ATOM 0 H VAL A 23 -10.047 9.393 -3.658 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.837 8.185 -2.391 1.00 0.65 H new ATOM 0 HB VAL A 23 -6.507 9.987 -3.496 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.026 9.279 -5.791 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -7.036 7.906 -4.659 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -8.572 8.602 -5.228 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -7.664 11.523 -5.025 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -9.232 10.922 -4.437 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -8.142 11.793 -3.332 1.00 1.35 H new ATOM 329 N GLU A 24 -9.041 10.833 -0.987 1.00 0.66 N ATOM 330 CA GLU A 24 -8.939 11.650 0.200 1.00 0.76 C ATOM 331 C GLU A 24 -9.321 10.845 1.426 1.00 0.69 C ATOM 332 O GLU A 24 -9.147 11.283 2.567 1.00 0.80 O ATOM 333 CB GLU A 24 -9.794 12.907 0.098 1.00 0.99 C ATOM 334 CG GLU A 24 -11.279 12.666 -0.036 1.00 1.22 C ATOM 335 CD GLU A 24 -12.040 13.954 -0.018 1.00 1.54 C ATOM 336 OE1 GLU A 24 -12.441 14.406 1.069 1.00 2.03 O ATOM 337 OE2 GLU A 24 -12.276 14.528 -1.098 1.00 1.89 O ATOM 0 H GLU A 24 -9.914 10.935 -1.505 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.901 11.969 0.294 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -9.620 13.518 0.984 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.457 13.487 -0.761 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -11.481 12.134 -0.966 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.621 12.027 0.778 1.00 1.22 H new ATOM 344 N ASP A 25 -9.840 9.658 1.200 1.00 0.60 N ATOM 345 CA ASP A 25 -10.202 8.821 2.304 1.00 0.64 C ATOM 346 C ASP A 25 -8.977 8.106 2.765 1.00 0.55 C ATOM 347 O ASP A 25 -8.754 7.960 3.943 1.00 0.58 O ATOM 348 CB ASP A 25 -11.287 7.819 1.944 1.00 0.72 C ATOM 349 CG ASP A 25 -11.846 7.139 3.186 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.743 7.720 3.842 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.401 6.035 3.547 1.00 0.98 O ATOM 0 H ASP A 25 -10.015 9.263 0.276 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.610 9.449 3.096 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -12.091 8.326 1.411 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.881 7.067 1.267 1.00 0.72 H new ATOM 356 N VAL A 26 -8.147 7.729 1.811 1.00 0.51 N ATOM 357 CA VAL A 26 -6.906 7.027 2.083 1.00 0.47 C ATOM 358 C VAL A 26 -5.881 7.999 2.701 1.00 0.47 C ATOM 359 O VAL A 26 -5.156 8.711 2.001 1.00 0.51 O ATOM 360 CB VAL A 26 -6.336 6.374 0.791 1.00 0.51 C ATOM 361 CG1 VAL A 26 -5.113 5.516 1.101 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.404 5.537 0.103 1.00 0.70 C ATOM 0 H VAL A 26 -8.315 7.902 0.820 1.00 0.51 H new ATOM 0 HA VAL A 26 -7.109 6.226 2.794 1.00 0.47 H new ATOM 0 HB VAL A 26 -6.028 7.175 0.119 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.737 5.073 0.179 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.337 6.137 1.548 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.391 4.725 1.797 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.989 5.087 -0.799 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.741 4.751 0.778 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -8.248 6.173 -0.164 1.00 0.70 H new ATOM 372 N LYS A 27 -5.968 8.111 4.000 1.00 0.49 N ATOM 373 CA LYS A 27 -5.098 8.930 4.815 1.00 0.54 C ATOM 374 C LYS A 27 -3.988 8.041 5.396 1.00 0.47 C ATOM 375 O LYS A 27 -3.805 6.927 4.933 1.00 0.51 O ATOM 376 CB LYS A 27 -5.934 9.548 5.939 1.00 0.65 C ATOM 377 CG LYS A 27 -7.078 10.435 5.465 1.00 0.83 C ATOM 378 CD LYS A 27 -7.943 10.872 6.636 1.00 1.53 C ATOM 379 CE LYS A 27 -9.063 11.815 6.212 1.00 2.02 C ATOM 380 NZ LYS A 27 -10.009 11.210 5.236 1.00 2.83 N ATOM 0 H LYS A 27 -6.674 7.616 4.545 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.642 9.726 4.226 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.344 8.746 6.552 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -5.278 10.136 6.581 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.678 11.312 4.956 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -7.686 9.895 4.739 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -8.374 9.992 7.114 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -7.319 11.366 7.381 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -9.617 12.129 7.096 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -8.626 12.712 5.774 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -10.957 11.616 5.374 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -9.684 11.409 4.268 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -10.048 10.181 5.383 1.00 2.83 H new ATOM 394 N LEU A 28 -3.278 8.516 6.409 1.00 0.49 N ATOM 395 CA LEU A 28 -2.164 7.753 6.996 1.00 0.47 C ATOM 396 C LEU A 28 -2.617 6.649 7.960 1.00 0.50 C ATOM 397 O LEU A 28 -1.969 5.599 8.052 1.00 0.56 O ATOM 398 CB LEU A 28 -1.116 8.672 7.660 1.00 0.54 C ATOM 399 CG LEU A 28 -0.020 9.277 6.749 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.855 8.182 6.161 1.00 1.07 C ATOM 401 CD2 LEU A 28 -0.606 10.142 5.639 1.00 0.99 C ATOM 0 H LEU A 28 -3.445 9.422 6.847 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.688 7.250 6.154 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.646 9.494 8.141 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.623 8.105 8.449 1.00 0.54 H new ATOM 0 HG LEU A 28 0.594 9.924 7.375 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.618 8.629 5.524 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.334 7.627 6.967 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.240 7.504 5.569 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.201 10.544 5.027 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -1.267 9.538 5.017 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.172 10.964 6.078 1.00 0.99 H new ATOM 413 N ASP A 29 -3.696 6.857 8.676 1.00 0.56 N ATOM 414 CA ASP A 29 -4.219 5.820 9.571 1.00 0.65 C ATOM 415 C ASP A 29 -5.335 5.083 8.860 1.00 0.61 C ATOM 416 O ASP A 29 -6.530 5.328 9.065 1.00 1.03 O ATOM 417 CB ASP A 29 -4.660 6.388 10.944 1.00 0.87 C ATOM 418 CG ASP A 29 -5.275 5.350 11.888 1.00 1.73 C ATOM 419 OD1 ASP A 29 -4.523 4.550 12.509 1.00 2.34 O ATOM 420 OD2 ASP A 29 -6.523 5.349 12.058 1.00 2.47 O ATOM 0 H ASP A 29 -4.234 7.723 8.666 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.421 5.115 9.804 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -3.796 6.839 11.432 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.384 7.185 10.778 1.00 0.87 H new ATOM 425 N LYS A 30 -4.912 4.316 7.892 1.00 0.43 N ATOM 426 CA LYS A 30 -5.773 3.516 7.054 1.00 0.39 C ATOM 427 C LYS A 30 -5.162 2.168 6.828 1.00 0.38 C ATOM 428 O LYS A 30 -3.968 2.051 6.679 1.00 0.57 O ATOM 429 CB LYS A 30 -5.962 4.206 5.704 1.00 0.44 C ATOM 430 CG LYS A 30 -6.784 5.450 5.791 1.00 0.51 C ATOM 431 CD LYS A 30 -8.243 5.101 5.963 1.00 0.75 C ATOM 432 CE LYS A 30 -9.075 6.312 6.278 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.511 6.031 6.141 1.00 1.06 N ATOM 0 H LYS A 30 -3.924 4.226 7.654 1.00 0.43 H new ATOM 0 HA LYS A 30 -6.736 3.401 7.551 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -4.985 4.452 5.289 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.437 3.511 5.011 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.447 6.059 6.630 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -6.649 6.047 4.889 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -8.614 4.633 5.051 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.349 4.369 6.764 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -8.864 6.645 7.294 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -8.798 7.128 5.611 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.055 6.888 6.366 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -10.716 5.737 5.165 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -10.780 5.269 6.796 1.00 1.06 H new ATOM 447 N SER A 31 -5.968 1.174 6.818 1.00 0.46 N ATOM 448 CA SER A 31 -5.552 -0.152 6.520 1.00 0.44 C ATOM 449 C SER A 31 -6.494 -0.694 5.460 1.00 0.45 C ATOM 450 O SER A 31 -7.678 -0.316 5.444 1.00 0.57 O ATOM 451 CB SER A 31 -5.511 -0.994 7.796 1.00 0.49 C ATOM 452 OG SER A 31 -5.358 -2.371 7.515 1.00 1.31 O ATOM 0 H SER A 31 -6.964 1.258 7.022 1.00 0.46 H new ATOM 0 HA SER A 31 -4.537 -0.181 6.124 1.00 0.44 H new ATOM 0 HB2 SER A 31 -4.687 -0.658 8.426 1.00 0.49 H new ATOM 0 HB3 SER A 31 -6.429 -0.839 8.363 1.00 0.49 H new ATOM 0 HG SER A 31 -4.417 -2.624 7.622 1.00 1.31 H new ATOM 458 N PHE A 32 -6.009 -1.595 4.621 1.00 0.41 N ATOM 459 CA PHE A 32 -6.706 -1.966 3.408 1.00 0.46 C ATOM 460 C PHE A 32 -7.952 -2.734 3.704 1.00 0.55 C ATOM 461 O PHE A 32 -9.019 -2.460 3.151 1.00 1.03 O ATOM 462 CB PHE A 32 -5.776 -2.737 2.472 1.00 0.51 C ATOM 463 CG PHE A 32 -4.576 -1.930 2.019 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.448 -1.821 2.823 1.00 0.52 C ATOM 465 CD2 PHE A 32 -4.580 -1.284 0.793 1.00 0.55 C ATOM 466 CE1 PHE A 32 -2.355 -1.085 2.413 1.00 0.58 C ATOM 467 CE2 PHE A 32 -3.486 -0.547 0.378 1.00 0.59 C ATOM 468 CZ PHE A 32 -2.372 -0.447 1.192 1.00 0.60 C ATOM 0 H PHE A 32 -5.126 -2.085 4.763 1.00 0.41 H new ATOM 0 HA PHE A 32 -7.013 -1.052 2.900 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -5.429 -3.638 2.978 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -6.339 -3.060 1.596 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -3.426 -2.319 3.781 1.00 0.52 H new ATOM 0 HD2 PHE A 32 -5.448 -1.357 0.154 1.00 0.55 H new ATOM 0 HE1 PHE A 32 -1.486 -1.009 3.050 1.00 0.58 H new ATOM 0 HE2 PHE A 32 -3.501 -0.050 -0.581 1.00 0.59 H new ATOM 0 HZ PHE A 32 -1.517 0.130 0.871 1.00 0.60 H new ATOM 478 N THR A 33 -7.863 -3.635 4.612 1.00 0.47 N ATOM 479 CA THR A 33 -8.986 -4.420 4.923 1.00 0.50 C ATOM 480 C THR A 33 -9.532 -4.101 6.305 1.00 0.60 C ATOM 481 O THR A 33 -10.188 -4.926 6.950 1.00 1.13 O ATOM 482 CB THR A 33 -8.660 -5.885 4.803 1.00 0.65 C ATOM 483 OG1 THR A 33 -7.486 -6.167 5.573 1.00 1.37 O ATOM 484 CG2 THR A 33 -8.437 -6.293 3.360 1.00 1.21 C ATOM 0 H THR A 33 -7.022 -3.843 5.150 1.00 0.47 H new ATOM 0 HA THR A 33 -9.766 -4.177 4.201 1.00 0.50 H new ATOM 0 HB THR A 33 -9.507 -6.457 5.181 1.00 0.65 H new ATOM 0 HG1 THR A 33 -7.269 -7.120 5.501 1.00 1.37 H new ATOM 0 HG21 THR A 33 -8.204 -7.357 3.315 1.00 1.21 H new ATOM 0 HG22 THR A 33 -9.339 -6.094 2.782 1.00 1.21 H new ATOM 0 HG23 THR A 33 -7.607 -5.722 2.945 1.00 1.21 H new ATOM 492 N ASP A 34 -9.334 -2.893 6.713 1.00 0.55 N ATOM 493 CA ASP A 34 -9.822 -2.451 8.001 1.00 0.60 C ATOM 494 C ASP A 34 -10.495 -1.120 7.875 1.00 0.58 C ATOM 495 O ASP A 34 -11.574 -0.913 8.402 1.00 0.75 O ATOM 496 CB ASP A 34 -8.684 -2.388 9.025 1.00 0.72 C ATOM 497 CG ASP A 34 -9.082 -1.739 10.344 1.00 1.46 C ATOM 498 OD1 ASP A 34 -9.604 -2.435 11.227 1.00 1.58 O ATOM 499 OD2 ASP A 34 -8.893 -0.520 10.507 1.00 2.31 O ATOM 0 H ASP A 34 -8.836 -2.181 6.179 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.554 -3.176 8.357 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.327 -3.399 9.221 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -7.850 -1.834 8.595 1.00 0.72 H new ATOM 504 N ASP A 35 -9.891 -0.229 7.127 1.00 0.48 N ATOM 505 CA ASP A 35 -10.422 1.109 7.031 1.00 0.50 C ATOM 506 C ASP A 35 -10.784 1.452 5.602 1.00 0.56 C ATOM 507 O ASP A 35 -11.239 2.552 5.330 1.00 0.86 O ATOM 508 CB ASP A 35 -9.383 2.111 7.510 1.00 0.47 C ATOM 509 CG ASP A 35 -9.981 3.249 8.311 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.881 3.931 7.790 1.00 1.67 O ATOM 511 OD2 ASP A 35 -9.593 3.471 9.471 1.00 1.47 O ATOM 0 H ASP A 35 -9.045 -0.401 6.584 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.317 1.155 7.651 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.643 1.594 8.121 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -8.856 2.519 6.648 1.00 0.47 H new ATOM 516 N LEU A 36 -10.578 0.524 4.678 1.00 0.44 N ATOM 517 CA LEU A 36 -10.834 0.823 3.267 1.00 0.49 C ATOM 518 C LEU A 36 -12.029 0.041 2.756 1.00 0.53 C ATOM 519 O LEU A 36 -12.810 -0.491 3.550 1.00 0.64 O ATOM 520 CB LEU A 36 -9.594 0.535 2.391 1.00 0.51 C ATOM 521 CG LEU A 36 -8.305 1.272 2.751 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.249 1.076 1.680 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.575 2.729 2.982 1.00 0.69 C ATOM 0 H LEU A 36 -10.243 -0.421 4.867 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.057 1.888 3.197 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -9.394 -0.536 2.429 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.845 0.776 1.358 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.919 0.848 3.678 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.342 1.611 1.961 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -7.027 0.014 1.578 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.618 1.462 0.730 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -7.644 3.236 3.237 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -8.992 3.170 2.076 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.286 2.842 3.801 1.00 0.69 H new ATOM 535 N ASP A 37 -12.159 -0.036 1.421 1.00 0.63 N ATOM 536 CA ASP A 37 -13.262 -0.770 0.752 1.00 0.76 C ATOM 537 C ASP A 37 -13.172 -2.253 1.064 1.00 0.78 C ATOM 538 O ASP A 37 -14.168 -2.974 1.030 1.00 1.33 O ATOM 539 CB ASP A 37 -13.209 -0.564 -0.774 1.00 1.14 C ATOM 540 CG ASP A 37 -14.366 -1.238 -1.505 1.00 1.49 C ATOM 541 OD1 ASP A 37 -15.487 -0.661 -1.573 1.00 2.15 O ATOM 542 OD2 ASP A 37 -14.178 -2.374 -2.007 1.00 1.96 O ATOM 0 H ASP A 37 -11.508 0.405 0.771 1.00 0.63 H new ATOM 0 HA ASP A 37 -14.206 -0.377 1.129 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -13.221 0.504 -0.992 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -12.267 -0.957 -1.156 1.00 1.14 H new ATOM 547 N VAL A 38 -11.962 -2.673 1.402 1.00 0.65 N ATOM 548 CA VAL A 38 -11.621 -4.022 1.761 1.00 0.96 C ATOM 549 C VAL A 38 -11.538 -4.934 0.555 1.00 0.89 C ATOM 550 O VAL A 38 -12.534 -5.540 0.116 1.00 1.43 O ATOM 551 CB VAL A 38 -12.546 -4.642 2.831 1.00 1.60 C ATOM 552 CG1 VAL A 38 -12.146 -6.097 3.094 1.00 2.23 C ATOM 553 CG2 VAL A 38 -12.504 -3.838 4.127 1.00 2.14 C ATOM 0 H VAL A 38 -11.160 -2.044 1.432 1.00 0.65 H new ATOM 0 HA VAL A 38 -10.631 -3.940 2.209 1.00 0.96 H new ATOM 0 HB VAL A 38 -13.568 -4.617 2.453 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -12.805 -6.524 3.850 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -12.232 -6.671 2.171 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -11.116 -6.133 3.448 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -13.165 -4.298 4.862 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -11.485 -3.824 4.514 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -12.832 -2.817 3.933 1.00 2.14 H new ATOM 563 N ASP A 39 -10.418 -4.915 -0.047 1.00 0.82 N ATOM 564 CA ASP A 39 -10.063 -5.884 -1.017 1.00 1.15 C ATOM 565 C ASP A 39 -9.009 -6.759 -0.382 1.00 1.18 C ATOM 566 O ASP A 39 -7.876 -6.382 -0.209 1.00 2.04 O ATOM 567 CB ASP A 39 -9.604 -5.250 -2.314 1.00 1.60 C ATOM 568 CG ASP A 39 -8.466 -4.244 -2.166 1.00 2.37 C ATOM 569 OD1 ASP A 39 -8.602 -3.311 -1.362 1.00 2.78 O ATOM 570 OD2 ASP A 39 -7.411 -4.436 -2.831 1.00 2.96 O ATOM 0 H ASP A 39 -9.699 -4.211 0.120 1.00 0.82 H new ATOM 0 HA ASP A 39 -10.926 -6.485 -1.304 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -9.286 -6.039 -2.996 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -10.454 -4.750 -2.779 1.00 1.60 H new ATOM 575 N SER A 40 -9.421 -7.905 0.032 1.00 0.85 N ATOM 576 CA SER A 40 -8.600 -8.741 0.842 1.00 0.86 C ATOM 577 C SER A 40 -7.606 -9.531 0.020 1.00 0.74 C ATOM 578 O SER A 40 -6.400 -9.538 0.309 1.00 0.81 O ATOM 579 CB SER A 40 -9.531 -9.606 1.667 1.00 1.19 C ATOM 580 OG SER A 40 -10.202 -10.566 0.807 1.00 1.18 O ATOM 0 H SER A 40 -10.340 -8.293 -0.181 1.00 0.85 H new ATOM 0 HA SER A 40 -7.974 -8.147 1.508 1.00 0.86 H new ATOM 0 HB2 SER A 40 -8.967 -10.128 2.440 1.00 1.19 H new ATOM 0 HB3 SER A 40 -10.267 -8.983 2.175 1.00 1.19 H new ATOM 0 HG SER A 40 -10.802 -11.124 1.345 1.00 1.18 H new ATOM 585 N LEU A 41 -8.093 -10.223 -0.953 1.00 0.71 N ATOM 586 CA LEU A 41 -7.260 -10.983 -1.776 1.00 0.70 C ATOM 587 C LEU A 41 -6.776 -10.139 -2.930 1.00 0.65 C ATOM 588 O LEU A 41 -5.642 -10.239 -3.374 1.00 0.71 O ATOM 589 CB LEU A 41 -7.974 -12.220 -2.246 1.00 0.83 C ATOM 590 CG LEU A 41 -7.056 -13.373 -2.463 1.00 1.01 C ATOM 591 CD1 LEU A 41 -6.430 -13.763 -1.121 1.00 1.29 C ATOM 592 CD2 LEU A 41 -7.777 -14.541 -3.110 1.00 1.34 C ATOM 0 H LEU A 41 -9.084 -10.268 -1.189 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.388 -11.309 -1.210 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.730 -12.498 -1.512 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -8.498 -12.000 -3.176 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.264 -13.083 -3.154 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -5.755 -14.607 -1.266 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -5.872 -12.917 -0.720 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -7.217 -14.044 -0.420 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -7.078 -15.365 -3.254 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -8.594 -14.866 -2.466 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -8.177 -14.232 -4.075 1.00 1.34 H new ATOM 604 N SER A 42 -7.650 -9.270 -3.367 1.00 0.65 N ATOM 605 CA SER A 42 -7.411 -8.391 -4.482 1.00 0.66 C ATOM 606 C SER A 42 -6.248 -7.423 -4.193 1.00 0.50 C ATOM 607 O SER A 42 -5.565 -6.973 -5.123 1.00 0.47 O ATOM 608 CB SER A 42 -8.711 -7.635 -4.794 1.00 0.84 C ATOM 609 OG SER A 42 -8.608 -6.831 -5.956 1.00 1.26 O ATOM 0 H SER A 42 -8.572 -9.151 -2.946 1.00 0.65 H new ATOM 0 HA SER A 42 -7.116 -8.976 -5.353 1.00 0.66 H new ATOM 0 HB2 SER A 42 -9.522 -8.352 -4.923 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.974 -7.006 -3.944 1.00 0.84 H new ATOM 0 HG SER A 42 -9.460 -6.372 -6.113 1.00 1.26 H new ATOM 615 N MET A 43 -5.983 -7.169 -2.909 1.00 0.45 N ATOM 616 CA MET A 43 -4.934 -6.246 -2.493 1.00 0.35 C ATOM 617 C MET A 43 -3.550 -6.703 -2.970 1.00 0.30 C ATOM 618 O MET A 43 -2.618 -5.898 -3.079 1.00 0.27 O ATOM 619 CB MET A 43 -4.899 -6.077 -0.990 1.00 0.39 C ATOM 620 CG MET A 43 -4.050 -4.898 -0.557 1.00 0.47 C ATOM 621 SD MET A 43 -3.472 -5.028 1.130 1.00 0.97 S ATOM 622 CE MET A 43 -2.412 -6.452 0.965 1.00 0.54 C ATOM 0 H MET A 43 -6.490 -7.597 -2.134 1.00 0.45 H new ATOM 0 HA MET A 43 -5.175 -5.289 -2.957 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.915 -5.944 -0.619 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.510 -6.987 -0.534 1.00 0.39 H new ATOM 0 HG2 MET A 43 -3.191 -4.813 -1.223 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.630 -3.981 -0.666 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.606 -6.392 1.696 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.991 -7.359 1.138 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.990 -6.477 -0.040 1.00 0.54 H new ATOM 632 N VAL A 44 -3.403 -7.998 -3.255 1.00 0.36 N ATOM 633 CA VAL A 44 -2.134 -8.532 -3.753 1.00 0.39 C ATOM 634 C VAL A 44 -1.720 -7.793 -5.034 1.00 0.37 C ATOM 635 O VAL A 44 -0.537 -7.529 -5.270 1.00 0.42 O ATOM 636 CB VAL A 44 -2.210 -10.059 -4.027 1.00 0.54 C ATOM 637 CG1 VAL A 44 -0.879 -10.588 -4.538 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.609 -10.799 -2.773 1.00 0.57 C ATOM 0 H VAL A 44 -4.142 -8.693 -3.150 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.386 -8.373 -2.977 1.00 0.39 H new ATOM 0 HB VAL A 44 -2.965 -10.225 -4.795 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -0.960 -11.659 -4.722 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.617 -10.079 -5.466 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.105 -10.405 -3.793 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.658 -11.868 -2.981 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -1.872 -10.615 -1.992 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.586 -10.449 -2.439 1.00 0.57 H new ATOM 648 N GLU A 45 -2.705 -7.385 -5.806 1.00 0.37 N ATOM 649 CA GLU A 45 -2.453 -6.683 -7.029 1.00 0.38 C ATOM 650 C GLU A 45 -1.967 -5.260 -6.774 1.00 0.31 C ATOM 651 O GLU A 45 -1.083 -4.778 -7.465 1.00 0.37 O ATOM 652 CB GLU A 45 -3.671 -6.701 -7.925 1.00 0.46 C ATOM 653 CG GLU A 45 -4.043 -8.090 -8.402 1.00 0.64 C ATOM 654 CD GLU A 45 -2.922 -8.750 -9.160 1.00 1.21 C ATOM 655 OE1 GLU A 45 -2.465 -8.191 -10.168 1.00 1.31 O ATOM 656 OE2 GLU A 45 -2.470 -9.841 -8.761 1.00 2.06 O ATOM 0 H GLU A 45 -3.693 -7.533 -5.599 1.00 0.37 H new ATOM 0 HA GLU A 45 -1.650 -7.206 -7.548 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.516 -6.271 -7.387 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.486 -6.064 -8.790 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -4.312 -8.707 -7.545 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -4.925 -8.029 -9.040 1.00 0.64 H new ATOM 663 N VAL A 46 -2.498 -4.599 -5.754 1.00 0.30 N ATOM 664 CA VAL A 46 -2.053 -3.254 -5.459 1.00 0.30 C ATOM 665 C VAL A 46 -0.706 -3.263 -4.741 1.00 0.29 C ATOM 666 O VAL A 46 0.115 -2.392 -4.963 1.00 0.39 O ATOM 667 CB VAL A 46 -3.119 -2.363 -4.714 1.00 0.51 C ATOM 668 CG1 VAL A 46 -3.546 -2.953 -3.401 1.00 0.91 C ATOM 669 CG2 VAL A 46 -2.618 -0.942 -4.502 1.00 1.43 C ATOM 0 H VAL A 46 -3.220 -4.965 -5.133 1.00 0.30 H new ATOM 0 HA VAL A 46 -1.920 -2.770 -6.426 1.00 0.30 H new ATOM 0 HB VAL A 46 -3.990 -2.334 -5.368 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -4.280 -2.300 -2.930 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -3.989 -3.934 -3.570 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.679 -3.054 -2.748 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -3.382 -0.360 -3.986 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -1.709 -0.963 -3.901 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -2.404 -0.484 -5.468 1.00 1.43 H new ATOM 679 N VAL A 47 -0.444 -4.287 -3.935 1.00 0.28 N ATOM 680 CA VAL A 47 0.842 -4.349 -3.256 1.00 0.33 C ATOM 681 C VAL A 47 1.976 -4.660 -4.246 1.00 0.31 C ATOM 682 O VAL A 47 3.050 -4.059 -4.174 1.00 0.35 O ATOM 683 CB VAL A 47 0.874 -5.305 -2.013 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.621 -6.756 -2.378 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.190 -5.160 -1.265 1.00 0.53 C ATOM 0 H VAL A 47 -1.081 -5.060 -3.741 1.00 0.28 H new ATOM 0 HA VAL A 47 1.004 -3.353 -2.844 1.00 0.33 H new ATOM 0 HB VAL A 47 0.056 -5.002 -1.360 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.655 -7.369 -1.477 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.361 -6.848 -2.843 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.386 -7.094 -3.077 1.00 0.39 H new ATOM 0 HG21 VAL A 47 2.196 -5.830 -0.405 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.016 -5.415 -1.929 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.303 -4.131 -0.924 1.00 0.53 H new ATOM 695 N VAL A 48 1.716 -5.538 -5.214 1.00 0.29 N ATOM 696 CA VAL A 48 2.724 -5.846 -6.213 1.00 0.31 C ATOM 697 C VAL A 48 2.915 -4.633 -7.144 1.00 0.29 C ATOM 698 O VAL A 48 4.017 -4.360 -7.627 1.00 0.35 O ATOM 699 CB VAL A 48 2.402 -7.156 -7.024 1.00 0.37 C ATOM 700 CG1 VAL A 48 1.193 -7.006 -7.929 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.607 -7.639 -7.810 1.00 0.65 C ATOM 0 H VAL A 48 0.833 -6.037 -5.323 1.00 0.29 H new ATOM 0 HA VAL A 48 3.660 -6.048 -5.692 1.00 0.31 H new ATOM 0 HB VAL A 48 2.152 -7.915 -6.282 1.00 0.37 H new ATOM 0 HG11 VAL A 48 1.020 -7.941 -8.462 1.00 0.61 H new ATOM 0 HG12 VAL A 48 0.317 -6.763 -7.328 1.00 0.61 H new ATOM 0 HG13 VAL A 48 1.373 -6.206 -8.647 1.00 0.61 H new ATOM 0 HG21 VAL A 48 3.346 -8.545 -8.357 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.915 -6.866 -8.514 1.00 0.65 H new ATOM 0 HG23 VAL A 48 4.427 -7.853 -7.124 1.00 0.65 H new ATOM 711 N ALA A 49 1.845 -3.873 -7.337 1.00 0.28 N ATOM 712 CA ALA A 49 1.895 -2.674 -8.144 1.00 0.28 C ATOM 713 C ALA A 49 2.615 -1.568 -7.396 1.00 0.27 C ATOM 714 O ALA A 49 3.262 -0.734 -7.989 1.00 0.32 O ATOM 715 CB ALA A 49 0.501 -2.228 -8.526 1.00 0.32 C ATOM 0 H ALA A 49 0.927 -4.073 -6.939 1.00 0.28 H new ATOM 0 HA ALA A 49 2.446 -2.897 -9.058 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.562 -1.325 -9.133 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.010 -3.016 -9.097 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.075 -2.021 -7.624 1.00 0.32 H new ATOM 721 N ALA A 50 2.521 -1.586 -6.090 1.00 0.27 N ATOM 722 CA ALA A 50 3.170 -0.595 -5.266 1.00 0.30 C ATOM 723 C ALA A 50 4.683 -0.662 -5.439 1.00 0.29 C ATOM 724 O ALA A 50 5.358 0.361 -5.453 1.00 0.32 O ATOM 725 CB ALA A 50 2.778 -0.768 -3.812 1.00 0.36 C ATOM 0 H ALA A 50 1.994 -2.286 -5.568 1.00 0.27 H new ATOM 0 HA ALA A 50 2.838 0.392 -5.587 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.278 -0.011 -3.208 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.698 -0.658 -3.711 1.00 0.36 H new ATOM 0 HB3 ALA A 50 3.075 -1.760 -3.470 1.00 0.36 H new ATOM 731 N GLU A 51 5.195 -1.869 -5.612 1.00 0.32 N ATOM 732 CA GLU A 51 6.609 -2.081 -5.847 1.00 0.39 C ATOM 733 C GLU A 51 7.076 -1.279 -7.069 1.00 0.39 C ATOM 734 O GLU A 51 7.952 -0.413 -6.972 1.00 0.47 O ATOM 735 CB GLU A 51 6.879 -3.556 -6.096 1.00 0.49 C ATOM 736 CG GLU A 51 6.371 -4.472 -5.011 1.00 0.36 C ATOM 737 CD GLU A 51 6.840 -5.881 -5.222 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.965 -6.224 -4.834 1.00 0.78 O ATOM 739 OE2 GLU A 51 6.080 -6.682 -5.755 1.00 0.70 O ATOM 0 H GLU A 51 4.642 -2.726 -5.593 1.00 0.32 H new ATOM 0 HA GLU A 51 7.155 -1.748 -4.965 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.420 -3.843 -7.042 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.953 -3.703 -6.206 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.714 -4.114 -4.040 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.281 -4.448 -4.993 1.00 0.36 H new ATOM 746 N GLU A 52 6.418 -1.520 -8.181 1.00 0.36 N ATOM 747 CA GLU A 52 6.783 -0.924 -9.455 1.00 0.41 C ATOM 748 C GLU A 52 6.472 0.578 -9.515 1.00 0.38 C ATOM 749 O GLU A 52 7.100 1.313 -10.273 1.00 0.47 O ATOM 750 CB GLU A 52 6.084 -1.669 -10.603 1.00 0.49 C ATOM 751 CG GLU A 52 4.568 -1.681 -10.485 1.00 0.53 C ATOM 752 CD GLU A 52 3.884 -2.444 -11.579 1.00 0.73 C ATOM 753 OE1 GLU A 52 3.696 -3.665 -11.437 1.00 0.96 O ATOM 754 OE2 GLU A 52 3.507 -1.841 -12.590 1.00 0.94 O ATOM 0 H GLU A 52 5.609 -2.139 -8.231 1.00 0.36 H new ATOM 0 HA GLU A 52 7.863 -1.023 -9.563 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.363 -1.206 -11.549 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.446 -2.697 -10.632 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.291 -2.114 -9.524 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.204 -0.654 -10.488 1.00 0.53 H new ATOM 761 N ARG A 53 5.510 1.030 -8.735 1.00 0.32 N ATOM 762 CA ARG A 53 5.117 2.438 -8.779 1.00 0.36 C ATOM 763 C ARG A 53 5.943 3.295 -7.826 1.00 0.35 C ATOM 764 O ARG A 53 6.148 4.476 -8.079 1.00 0.48 O ATOM 765 CB ARG A 53 3.611 2.616 -8.485 1.00 0.46 C ATOM 766 CG ARG A 53 2.700 1.831 -9.420 1.00 1.11 C ATOM 767 CD ARG A 53 2.866 2.240 -10.861 1.00 1.21 C ATOM 768 NE ARG A 53 2.280 1.251 -11.774 1.00 2.17 N ATOM 769 CZ ARG A 53 2.195 1.374 -13.098 1.00 2.78 C ATOM 770 NH1 ARG A 53 2.426 2.539 -13.691 1.00 2.79 N ATOM 771 NH2 ARG A 53 1.835 0.333 -13.826 1.00 3.85 N ATOM 0 H ARG A 53 4.989 0.459 -8.070 1.00 0.32 H new ATOM 0 HA ARG A 53 5.315 2.781 -9.795 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.413 2.308 -7.458 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.360 3.675 -8.554 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.912 0.766 -9.321 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.662 1.979 -9.120 1.00 1.11 H new ATOM 0 HD2 ARG A 53 2.394 3.209 -11.022 1.00 1.21 H new ATOM 0 HD3 ARG A 53 3.926 2.361 -11.086 1.00 1.21 H new ATOM 0 HE ARG A 53 1.906 0.397 -11.360 1.00 2.17 H new ATOM 0 HH11 ARG A 53 2.673 3.356 -13.132 1.00 2.79 H new ATOM 0 HH12 ARG A 53 2.357 2.617 -14.706 1.00 2.79 H new ATOM 0 HH21 ARG A 53 1.624 -0.557 -13.374 1.00 3.85 H new ATOM 0 HH22 ARG A 53 1.767 0.419 -14.840 1.00 3.85 H new ATOM 785 N PHE A 54 6.426 2.710 -6.738 1.00 0.29 N ATOM 786 CA PHE A 54 7.136 3.497 -5.729 1.00 0.30 C ATOM 787 C PHE A 54 8.621 3.180 -5.651 1.00 0.33 C ATOM 788 O PHE A 54 9.293 3.613 -4.701 1.00 0.40 O ATOM 789 CB PHE A 54 6.499 3.313 -4.359 1.00 0.31 C ATOM 790 CG PHE A 54 5.088 3.745 -4.347 1.00 0.30 C ATOM 791 CD1 PHE A 54 4.770 5.080 -4.405 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.076 2.820 -4.326 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.471 5.476 -4.429 1.00 0.39 C ATOM 794 CE2 PHE A 54 2.778 3.209 -4.359 1.00 0.38 C ATOM 795 CZ PHE A 54 2.476 4.536 -4.408 1.00 0.37 C ATOM 0 H PHE A 54 6.344 1.715 -6.530 1.00 0.29 H new ATOM 0 HA PHE A 54 7.048 4.537 -6.043 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.560 2.264 -4.068 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.060 3.883 -3.618 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.557 5.819 -4.432 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.316 1.768 -4.283 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.224 6.527 -4.464 1.00 0.39 H new ATOM 0 HE2 PHE A 54 1.989 2.472 -4.347 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.443 4.849 -4.430 1.00 0.37 H new ATOM 805 N ASP A 55 9.131 2.427 -6.642 1.00 0.36 N ATOM 806 CA ASP A 55 10.578 2.059 -6.733 1.00 0.44 C ATOM 807 C ASP A 55 10.966 1.136 -5.584 1.00 0.46 C ATOM 808 O ASP A 55 12.120 1.102 -5.161 1.00 0.77 O ATOM 809 CB ASP A 55 11.513 3.314 -6.692 1.00 0.53 C ATOM 810 CG ASP A 55 11.360 4.274 -7.849 1.00 1.14 C ATOM 811 OD1 ASP A 55 10.452 5.139 -7.811 1.00 1.95 O ATOM 812 OD2 ASP A 55 12.099 4.150 -8.856 1.00 1.23 O ATOM 0 H ASP A 55 8.566 2.052 -7.404 1.00 0.36 H new ATOM 0 HA ASP A 55 10.710 1.556 -7.691 1.00 0.44 H new ATOM 0 HB2 ASP A 55 11.325 3.856 -5.765 1.00 0.53 H new ATOM 0 HB3 ASP A 55 12.548 2.974 -6.658 1.00 0.53 H new ATOM 817 N VAL A 56 10.039 0.353 -5.120 1.00 0.35 N ATOM 818 CA VAL A 56 10.283 -0.454 -3.950 1.00 0.40 C ATOM 819 C VAL A 56 10.037 -1.946 -4.271 1.00 0.52 C ATOM 820 O VAL A 56 9.788 -2.299 -5.423 1.00 1.14 O ATOM 821 CB VAL A 56 9.404 0.058 -2.740 1.00 0.55 C ATOM 822 CG1 VAL A 56 7.916 -0.189 -2.957 1.00 1.00 C ATOM 823 CG2 VAL A 56 9.873 -0.465 -1.385 1.00 1.37 C ATOM 0 H VAL A 56 9.109 0.252 -5.527 1.00 0.35 H new ATOM 0 HA VAL A 56 11.327 -0.358 -3.651 1.00 0.40 H new ATOM 0 HB VAL A 56 9.551 1.138 -2.714 1.00 0.55 H new ATOM 0 HG11 VAL A 56 7.357 0.181 -2.098 1.00 1.00 H new ATOM 0 HG12 VAL A 56 7.588 0.333 -3.856 1.00 1.00 H new ATOM 0 HG13 VAL A 56 7.738 -1.258 -3.073 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.225 -0.074 -0.600 1.00 1.37 H new ATOM 0 HG22 VAL A 56 9.831 -1.554 -1.381 1.00 1.37 H new ATOM 0 HG23 VAL A 56 10.898 -0.140 -1.205 1.00 1.37 H new ATOM 833 N LYS A 57 10.122 -2.785 -3.281 1.00 0.41 N ATOM 834 CA LYS A 57 9.843 -4.175 -3.393 1.00 0.40 C ATOM 835 C LYS A 57 9.366 -4.646 -2.055 1.00 0.45 C ATOM 836 O LYS A 57 9.929 -4.254 -1.029 1.00 0.67 O ATOM 837 CB LYS A 57 11.076 -4.952 -3.872 1.00 0.57 C ATOM 838 CG LYS A 57 10.884 -6.460 -3.917 1.00 1.30 C ATOM 839 CD LYS A 57 11.722 -7.089 -5.004 1.00 1.77 C ATOM 840 CE LYS A 57 11.281 -6.595 -6.377 1.00 2.45 C ATOM 841 NZ LYS A 57 9.861 -6.928 -6.663 1.00 3.34 N ATOM 0 H LYS A 57 10.398 -2.503 -2.341 1.00 0.41 H new ATOM 0 HA LYS A 57 9.071 -4.352 -4.142 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.348 -4.602 -4.868 1.00 0.57 H new ATOM 0 HB3 LYS A 57 11.914 -4.723 -3.214 1.00 0.57 H new ATOM 0 HG2 LYS A 57 11.152 -6.892 -2.953 1.00 1.30 H new ATOM 0 HG3 LYS A 57 9.832 -6.690 -4.087 1.00 1.30 H new ATOM 0 HD2 LYS A 57 12.773 -6.848 -4.845 1.00 1.77 H new ATOM 0 HD3 LYS A 57 11.633 -8.174 -4.957 1.00 1.77 H new ATOM 0 HE2 LYS A 57 11.418 -5.515 -6.434 1.00 2.45 H new ATOM 0 HE3 LYS A 57 11.918 -7.038 -7.143 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 9.638 -6.680 -7.648 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 9.707 -7.946 -6.519 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 9.243 -6.390 -6.023 1.00 3.34 H new ATOM 855 N ILE A 58 8.304 -5.413 -2.049 1.00 0.36 N ATOM 856 CA ILE A 58 7.710 -5.875 -0.817 1.00 0.42 C ATOM 857 C ILE A 58 7.417 -7.371 -0.925 1.00 0.46 C ATOM 858 O ILE A 58 6.599 -7.792 -1.757 1.00 0.52 O ATOM 859 CB ILE A 58 6.378 -5.113 -0.484 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.597 -3.586 -0.508 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.864 -5.542 0.895 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.340 -2.770 -0.287 1.00 0.57 C ATOM 0 H ILE A 58 7.828 -5.734 -2.892 1.00 0.36 H new ATOM 0 HA ILE A 58 8.420 -5.679 -0.013 1.00 0.42 H new ATOM 0 HB ILE A 58 5.638 -5.367 -1.243 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.325 -3.324 0.259 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.032 -3.309 -1.468 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.940 -5.010 1.120 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.674 -6.615 0.895 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.612 -5.306 1.652 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.585 -1.708 -0.319 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.615 -2.999 -1.068 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.914 -3.014 0.686 1.00 0.57 H new ATOM 874 N PRO A 59 8.120 -8.190 -0.127 1.00 0.47 N ATOM 875 CA PRO A 59 7.904 -9.641 -0.070 1.00 0.53 C ATOM 876 C PRO A 59 6.491 -9.970 0.404 1.00 0.53 C ATOM 877 O PRO A 59 5.965 -9.311 1.305 1.00 0.46 O ATOM 878 CB PRO A 59 8.918 -10.106 0.973 1.00 0.59 C ATOM 879 CG PRO A 59 9.946 -9.037 1.006 1.00 0.63 C ATOM 880 CD PRO A 59 9.203 -7.768 0.771 1.00 0.50 C ATOM 0 HA PRO A 59 8.021 -10.118 -1.043 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.450 -10.235 1.949 1.00 0.59 H new ATOM 0 HB3 PRO A 59 9.355 -11.066 0.699 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.463 -9.018 1.966 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.704 -9.197 0.239 1.00 0.63 H new ATOM 0 HD2 PRO A 59 8.818 -7.346 1.699 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.835 -7.007 0.313 1.00 0.50 H new ATOM 888 N ASP A 60 5.918 -11.016 -0.163 1.00 0.68 N ATOM 889 CA ASP A 60 4.519 -11.433 0.090 1.00 0.77 C ATOM 890 C ASP A 60 4.241 -11.670 1.565 1.00 0.70 C ATOM 891 O ASP A 60 3.164 -11.331 2.071 1.00 0.69 O ATOM 892 CB ASP A 60 4.173 -12.705 -0.692 1.00 1.08 C ATOM 893 CG ASP A 60 4.329 -12.554 -2.181 1.00 1.50 C ATOM 894 OD1 ASP A 60 5.464 -12.734 -2.686 1.00 2.30 O ATOM 895 OD2 ASP A 60 3.338 -12.265 -2.873 1.00 1.84 O ATOM 0 H ASP A 60 6.405 -11.620 -0.825 1.00 0.68 H new ATOM 0 HA ASP A 60 3.892 -10.608 -0.249 1.00 0.77 H new ATOM 0 HB2 ASP A 60 4.812 -13.519 -0.348 1.00 1.08 H new ATOM 0 HB3 ASP A 60 3.145 -12.991 -0.469 1.00 1.08 H new ATOM 900 N ASP A 61 5.197 -12.242 2.264 1.00 0.75 N ATOM 901 CA ASP A 61 5.020 -12.500 3.687 1.00 0.85 C ATOM 902 C ASP A 61 5.164 -11.248 4.509 1.00 0.71 C ATOM 903 O ASP A 61 4.565 -11.136 5.579 1.00 0.79 O ATOM 904 CB ASP A 61 5.940 -13.612 4.218 1.00 1.13 C ATOM 905 CG ASP A 61 5.560 -14.972 3.697 1.00 1.80 C ATOM 906 OD1 ASP A 61 4.482 -15.489 4.042 1.00 2.31 O ATOM 907 OD2 ASP A 61 6.340 -15.572 2.942 1.00 2.38 O ATOM 0 H ASP A 61 6.096 -12.536 1.882 1.00 0.75 H new ATOM 0 HA ASP A 61 3.996 -12.859 3.794 1.00 0.85 H new ATOM 0 HB2 ASP A 61 6.970 -13.393 3.936 1.00 1.13 H new ATOM 0 HB3 ASP A 61 5.903 -13.620 5.307 1.00 1.13 H new ATOM 912 N ASP A 62 5.906 -10.271 3.997 1.00 0.60 N ATOM 913 CA ASP A 62 6.120 -9.023 4.741 1.00 0.62 C ATOM 914 C ASP A 62 4.885 -8.145 4.583 1.00 0.51 C ATOM 915 O ASP A 62 4.556 -7.352 5.448 1.00 0.61 O ATOM 916 CB ASP A 62 7.369 -8.270 4.256 1.00 0.74 C ATOM 917 CG ASP A 62 8.067 -7.504 5.379 1.00 0.82 C ATOM 918 OD1 ASP A 62 7.483 -6.615 5.997 1.00 1.17 O ATOM 919 OD2 ASP A 62 9.232 -7.852 5.701 1.00 1.52 O ATOM 0 H ASP A 62 6.364 -10.311 3.087 1.00 0.60 H new ATOM 0 HA ASP A 62 6.283 -9.268 5.790 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.069 -8.980 3.816 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.085 -7.573 3.468 1.00 0.74 H new ATOM 924 N VAL A 63 4.192 -8.332 3.457 1.00 0.43 N ATOM 925 CA VAL A 63 2.907 -7.668 3.183 1.00 0.46 C ATOM 926 C VAL A 63 1.936 -8.023 4.306 1.00 0.46 C ATOM 927 O VAL A 63 1.427 -7.157 5.002 1.00 0.55 O ATOM 928 CB VAL A 63 2.292 -8.169 1.842 1.00 0.53 C ATOM 929 CG1 VAL A 63 0.979 -7.466 1.557 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.242 -7.969 0.684 1.00 0.73 C ATOM 0 H VAL A 63 4.503 -8.948 2.706 1.00 0.43 H new ATOM 0 HA VAL A 63 3.076 -6.593 3.118 1.00 0.46 H new ATOM 0 HB VAL A 63 2.108 -9.238 1.951 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.567 -7.831 0.616 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.275 -7.669 2.364 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.149 -6.392 1.486 1.00 0.79 H new ATOM 0 HG21 VAL A 63 2.778 -8.330 -0.234 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.472 -6.909 0.581 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.162 -8.524 0.868 1.00 0.73 H new ATOM 940 N LYS A 64 1.724 -9.328 4.482 1.00 0.46 N ATOM 941 CA LYS A 64 0.821 -9.871 5.511 1.00 0.55 C ATOM 942 C LYS A 64 1.335 -9.540 6.924 1.00 0.54 C ATOM 943 O LYS A 64 0.611 -9.667 7.919 1.00 0.63 O ATOM 944 CB LYS A 64 0.724 -11.387 5.359 1.00 0.68 C ATOM 945 CG LYS A 64 0.279 -11.853 3.989 1.00 0.77 C ATOM 946 CD LYS A 64 0.258 -13.366 3.916 1.00 0.99 C ATOM 947 CE LYS A 64 -0.113 -13.864 2.531 1.00 1.17 C ATOM 948 NZ LYS A 64 0.870 -13.450 1.506 1.00 1.24 N ATOM 0 H LYS A 64 2.174 -10.046 3.914 1.00 0.46 H new ATOM 0 HA LYS A 64 -0.161 -9.416 5.378 1.00 0.55 H new ATOM 0 HB2 LYS A 64 1.698 -11.825 5.579 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.026 -11.770 6.104 1.00 0.68 H new ATOM 0 HG2 LYS A 64 -0.714 -11.460 3.771 1.00 0.77 H new ATOM 0 HG3 LYS A 64 0.952 -11.457 3.229 1.00 0.77 H new ATOM 0 HD2 LYS A 64 1.238 -13.756 4.191 1.00 0.99 H new ATOM 0 HD3 LYS A 64 -0.455 -13.754 4.644 1.00 0.99 H new ATOM 0 HE2 LYS A 64 -0.184 -14.952 2.545 1.00 1.17 H new ATOM 0 HE3 LYS A 64 -1.098 -13.483 2.262 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 0.430 -12.763 0.861 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.692 -13.012 1.970 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 1.180 -14.283 0.966 1.00 1.24 H new ATOM 962 N ASN A 65 2.595 -9.175 6.996 1.00 0.50 N ATOM 963 CA ASN A 65 3.240 -8.765 8.230 1.00 0.56 C ATOM 964 C ASN A 65 2.838 -7.345 8.614 1.00 0.52 C ATOM 965 O ASN A 65 2.742 -7.024 9.805 1.00 0.65 O ATOM 966 CB ASN A 65 4.779 -8.901 8.103 1.00 0.64 C ATOM 967 CG ASN A 65 5.565 -8.062 9.100 1.00 1.32 C ATOM 968 OD1 ASN A 65 5.828 -8.482 10.224 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.006 -6.905 8.672 1.00 2.07 N ATOM 0 H ASN A 65 3.214 -9.153 6.186 1.00 0.50 H new ATOM 0 HA ASN A 65 2.905 -9.425 9.030 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.052 -9.948 8.232 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.075 -8.617 7.093 1.00 0.64 H new ATOM 0 HD21 ASN A 65 6.586 -6.324 9.278 1.00 2.07 H new ATOM 0 HD22 ASN A 65 5.770 -6.585 7.733 1.00 2.07 H new ATOM 976 N LEU A 66 2.556 -6.523 7.622 1.00 0.43 N ATOM 977 CA LEU A 66 2.190 -5.135 7.856 1.00 0.43 C ATOM 978 C LEU A 66 0.712 -5.050 8.194 1.00 0.43 C ATOM 979 O LEU A 66 0.035 -6.072 8.281 1.00 0.47 O ATOM 980 CB LEU A 66 2.480 -4.290 6.611 1.00 0.44 C ATOM 981 CG LEU A 66 3.928 -4.261 6.119 1.00 0.50 C ATOM 982 CD1 LEU A 66 4.024 -3.433 4.862 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.856 -3.704 7.187 1.00 0.60 C ATOM 0 H LEU A 66 2.573 -6.793 6.638 1.00 0.43 H new ATOM 0 HA LEU A 66 2.780 -4.751 8.688 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.852 -4.656 5.798 1.00 0.44 H new ATOM 0 HB3 LEU A 66 2.170 -3.265 6.816 1.00 0.44 H new ATOM 0 HG LEU A 66 4.239 -5.283 5.902 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.057 -3.416 4.516 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.390 -3.869 4.090 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.694 -2.415 5.071 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.879 -3.695 6.811 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.552 -2.688 7.439 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.803 -4.330 8.078 1.00 0.60 H new ATOM 995 N LYS A 67 0.207 -3.851 8.392 1.00 0.45 N ATOM 996 CA LYS A 67 -1.198 -3.686 8.691 1.00 0.50 C ATOM 997 C LYS A 67 -1.802 -2.432 8.055 1.00 0.43 C ATOM 998 O LYS A 67 -2.715 -2.543 7.239 1.00 0.52 O ATOM 999 CB LYS A 67 -1.498 -3.805 10.209 1.00 0.64 C ATOM 1000 CG LYS A 67 -0.604 -2.969 11.084 1.00 0.85 C ATOM 1001 CD LYS A 67 -0.963 -3.065 12.551 1.00 0.88 C ATOM 1002 CE LYS A 67 -0.067 -2.155 13.389 1.00 1.86 C ATOM 1003 NZ LYS A 67 -0.157 -0.737 12.964 1.00 2.69 N ATOM 0 H LYS A 67 0.743 -2.984 8.352 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.709 -4.524 8.217 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -2.534 -3.516 10.387 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.403 -4.850 10.505 1.00 0.64 H new ATOM 0 HG2 LYS A 67 0.430 -3.285 10.946 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -0.664 -1.928 10.767 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -2.007 -2.786 12.694 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -0.859 -4.096 12.889 1.00 0.88 H new ATOM 0 HE2 LYS A 67 -0.349 -2.237 14.439 1.00 1.86 H new ATOM 0 HE3 LYS A 67 0.967 -2.492 13.309 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 0.387 -0.142 13.622 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 0.232 -0.637 12.005 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -1.153 -0.436 12.967 1.00 2.69 H new ATOM 1017 N THR A 68 -1.310 -1.254 8.387 1.00 0.37 N ATOM 1018 CA THR A 68 -1.883 -0.052 7.823 1.00 0.35 C ATOM 1019 C THR A 68 -1.012 0.484 6.691 1.00 0.32 C ATOM 1020 O THR A 68 0.045 -0.084 6.374 1.00 0.33 O ATOM 1021 CB THR A 68 -2.044 1.070 8.884 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.753 1.503 9.330 1.00 0.36 O ATOM 1023 CG2 THR A 68 -2.861 0.594 10.075 1.00 0.46 C ATOM 0 H THR A 68 -0.532 -1.106 9.030 1.00 0.37 H new ATOM 0 HA THR A 68 -2.867 -0.329 7.445 1.00 0.35 H new ATOM 0 HB THR A 68 -2.574 1.901 8.418 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.260 0.739 9.695 1.00 0.36 H new ATOM 0 HG21 THR A 68 -2.955 1.404 10.799 1.00 0.46 H new ATOM 0 HG22 THR A 68 -3.853 0.292 9.738 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.362 -0.255 10.543 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.420 1.607 6.133 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.641 2.310 5.149 1.00 0.33 C ATOM 1033 C VAL A 69 0.470 3.074 5.850 1.00 0.34 C ATOM 1034 O VAL A 69 1.457 3.456 5.241 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.487 3.286 4.267 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.472 2.527 3.400 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.237 4.279 5.126 1.00 0.56 C ATOM 0 H VAL A 69 -2.309 2.055 6.356 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.230 1.564 4.469 1.00 0.33 H new ATOM 0 HB VAL A 69 -0.791 3.824 3.623 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.046 3.232 2.798 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -1.930 1.847 2.743 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.150 1.956 4.034 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.817 4.946 4.489 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.908 3.745 5.798 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.527 4.863 5.711 1.00 0.56 H new ATOM 1047 N GLY A 70 0.325 3.228 7.159 1.00 0.36 N ATOM 1048 CA GLY A 70 1.326 3.879 7.949 1.00 0.38 C ATOM 1049 C GLY A 70 2.494 2.964 8.132 1.00 0.39 C ATOM 1050 O GLY A 70 3.639 3.385 8.082 1.00 0.46 O ATOM 0 H GLY A 70 -0.486 2.904 7.686 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.646 4.800 7.462 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.914 4.158 8.919 1.00 0.38 H new ATOM 1054 N ASP A 71 2.197 1.686 8.291 1.00 0.42 N ATOM 1055 CA ASP A 71 3.241 0.672 8.431 1.00 0.50 C ATOM 1056 C ASP A 71 3.866 0.428 7.082 1.00 0.49 C ATOM 1057 O ASP A 71 5.069 0.223 6.958 1.00 0.58 O ATOM 1058 CB ASP A 71 2.667 -0.650 8.953 1.00 0.62 C ATOM 1059 CG ASP A 71 1.890 -0.482 10.218 1.00 0.82 C ATOM 1060 OD1 ASP A 71 2.510 -0.294 11.277 1.00 1.00 O ATOM 1061 OD2 ASP A 71 0.662 -0.563 10.202 1.00 1.62 O ATOM 0 H ASP A 71 1.245 1.321 8.327 1.00 0.42 H new ATOM 0 HA ASP A 71 3.980 1.035 9.145 1.00 0.50 H new ATOM 0 HB2 ASP A 71 2.022 -1.087 8.191 1.00 0.62 H new ATOM 0 HB3 ASP A 71 3.482 -1.353 9.123 1.00 0.62 H new ATOM 1066 N ALA A 72 3.033 0.523 6.066 1.00 0.43 N ATOM 1067 CA ALA A 72 3.425 0.266 4.709 1.00 0.48 C ATOM 1068 C ALA A 72 4.405 1.301 4.240 1.00 0.44 C ATOM 1069 O ALA A 72 5.480 0.966 3.772 1.00 0.47 O ATOM 1070 CB ALA A 72 2.207 0.248 3.811 1.00 0.51 C ATOM 0 H ALA A 72 2.053 0.785 6.169 1.00 0.43 H new ATOM 0 HA ALA A 72 3.909 -0.710 4.664 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.515 0.052 2.784 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.524 -0.535 4.140 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.704 1.214 3.861 1.00 0.51 H new ATOM 1076 N THR A 73 4.043 2.559 4.416 1.00 0.40 N ATOM 1077 CA THR A 73 4.855 3.667 3.989 1.00 0.39 C ATOM 1078 C THR A 73 6.254 3.629 4.587 1.00 0.39 C ATOM 1079 O THR A 73 7.226 3.910 3.892 1.00 0.41 O ATOM 1080 CB THR A 73 4.174 5.002 4.296 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.698 5.019 5.648 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.031 5.252 3.344 1.00 0.46 C ATOM 0 H THR A 73 3.169 2.835 4.864 1.00 0.40 H new ATOM 0 HA THR A 73 4.965 3.573 2.909 1.00 0.39 H new ATOM 0 HB THR A 73 4.910 5.796 4.169 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.831 4.564 5.695 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.562 6.207 3.581 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.408 5.277 2.322 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.296 4.453 3.440 1.00 0.46 H new ATOM 1090 N LYS A 74 6.343 3.256 5.865 1.00 0.47 N ATOM 1091 CA LYS A 74 7.618 3.136 6.555 1.00 0.53 C ATOM 1092 C LYS A 74 8.511 2.133 5.856 1.00 0.48 C ATOM 1093 O LYS A 74 9.665 2.431 5.551 1.00 0.55 O ATOM 1094 CB LYS A 74 7.418 2.722 8.016 1.00 0.65 C ATOM 1095 CG LYS A 74 6.701 3.753 8.876 1.00 1.26 C ATOM 1096 CD LYS A 74 7.493 5.052 8.992 1.00 1.88 C ATOM 1097 CE LYS A 74 8.842 4.829 9.657 1.00 2.66 C ATOM 1098 NZ LYS A 74 9.579 6.089 9.859 1.00 3.54 N ATOM 0 H LYS A 74 5.534 3.031 6.444 1.00 0.47 H new ATOM 0 HA LYS A 74 8.098 4.114 6.534 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.852 1.791 8.041 1.00 0.65 H new ATOM 0 HB3 LYS A 74 8.393 2.515 8.458 1.00 0.65 H new ATOM 0 HG2 LYS A 74 5.721 3.963 8.448 1.00 1.26 H new ATOM 0 HG3 LYS A 74 6.533 3.341 9.871 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.642 5.477 8.000 1.00 1.88 H new ATOM 0 HD3 LYS A 74 6.919 5.778 9.567 1.00 1.88 H new ATOM 0 HE2 LYS A 74 8.694 4.339 10.619 1.00 2.66 H new ATOM 0 HE3 LYS A 74 9.440 4.155 9.044 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 10.492 5.888 10.315 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 9.744 6.546 8.939 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 9.022 6.724 10.466 1.00 3.54 H new ATOM 1112 N TYR A 75 7.965 0.963 5.579 1.00 0.45 N ATOM 1113 CA TYR A 75 8.700 -0.095 4.907 1.00 0.44 C ATOM 1114 C TYR A 75 9.052 0.313 3.469 1.00 0.40 C ATOM 1115 O TYR A 75 10.171 0.066 2.984 1.00 0.48 O ATOM 1116 CB TYR A 75 7.896 -1.410 4.915 1.00 0.49 C ATOM 1117 CG TYR A 75 8.629 -2.543 4.242 1.00 0.50 C ATOM 1118 CD1 TYR A 75 9.619 -3.256 4.909 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.295 -2.932 2.960 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.241 -4.327 4.312 1.00 0.77 C ATOM 1121 CE2 TYR A 75 8.923 -3.991 2.358 1.00 0.61 C ATOM 1122 CZ TYR A 75 10.051 -4.552 2.984 1.00 0.69 C ATOM 1123 OH TYR A 75 10.482 -5.769 2.449 1.00 0.83 O ATOM 0 H TYR A 75 7.003 0.719 5.812 1.00 0.45 H new ATOM 0 HA TYR A 75 9.629 -0.259 5.453 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.672 -1.688 5.945 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.942 -1.251 4.413 1.00 0.49 H new ATOM 0 HD1 TYR A 75 9.903 -2.965 5.909 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.527 -2.394 2.424 1.00 0.52 H new ATOM 0 HE1 TYR A 75 10.874 -4.983 4.891 1.00 0.77 H new ATOM 0 HE2 TYR A 75 8.559 -4.387 1.421 1.00 0.61 H new ATOM 0 HH TYR A 75 10.431 -6.465 3.137 1.00 0.83 H new ATOM 1133 N ILE A 76 8.100 0.939 2.803 1.00 0.37 N ATOM 1134 CA ILE A 76 8.271 1.403 1.435 1.00 0.43 C ATOM 1135 C ILE A 76 9.413 2.390 1.334 1.00 0.52 C ATOM 1136 O ILE A 76 10.341 2.163 0.590 1.00 0.65 O ATOM 1137 CB ILE A 76 6.969 2.021 0.881 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.912 0.928 0.747 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.215 2.707 -0.473 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.560 1.444 0.370 1.00 0.55 C ATOM 0 H ILE A 76 7.181 1.142 3.196 1.00 0.37 H new ATOM 0 HA ILE A 76 8.515 0.533 0.825 1.00 0.43 H new ATOM 0 HB ILE A 76 6.615 2.784 1.575 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.239 0.208 -0.004 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.836 0.390 1.692 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.281 3.133 -0.840 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.953 3.500 -0.350 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.586 1.974 -1.190 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.861 0.611 0.293 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.211 2.141 1.132 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.621 1.956 -0.590 1.00 0.55 H new ATOM 1152 N LEU A 77 9.359 3.473 2.089 1.00 0.52 N ATOM 1153 CA LEU A 77 10.417 4.473 2.027 1.00 0.71 C ATOM 1154 C LEU A 77 11.763 3.929 2.503 1.00 0.78 C ATOM 1155 O LEU A 77 12.827 4.427 2.125 1.00 0.96 O ATOM 1156 CB LEU A 77 10.009 5.830 2.658 1.00 0.86 C ATOM 1157 CG LEU A 77 9.532 5.867 4.115 1.00 0.88 C ATOM 1158 CD1 LEU A 77 10.670 5.677 5.099 1.00 1.74 C ATOM 1159 CD2 LEU A 77 8.797 7.160 4.377 1.00 0.99 C ATOM 0 H LEU A 77 8.606 3.684 2.744 1.00 0.52 H new ATOM 0 HA LEU A 77 10.567 4.705 0.973 1.00 0.71 H new ATOM 0 HB2 LEU A 77 10.865 6.500 2.576 1.00 0.86 H new ATOM 0 HB3 LEU A 77 9.215 6.252 2.042 1.00 0.86 H new ATOM 0 HG LEU A 77 8.851 5.030 4.266 1.00 0.88 H new ATOM 0 HD11 LEU A 77 10.281 5.711 6.117 1.00 1.74 H new ATOM 0 HD12 LEU A 77 11.145 4.711 4.924 1.00 1.74 H new ATOM 0 HD13 LEU A 77 11.404 6.472 4.964 1.00 1.74 H new ATOM 0 HD21 LEU A 77 8.459 7.183 5.413 1.00 0.99 H new ATOM 0 HD22 LEU A 77 9.465 8.002 4.194 1.00 0.99 H new ATOM 0 HD23 LEU A 77 7.935 7.230 3.713 1.00 0.99 H new ATOM 1171 N ASP A 78 11.694 2.875 3.282 1.00 0.71 N ATOM 1172 CA ASP A 78 12.882 2.212 3.808 1.00 0.84 C ATOM 1173 C ASP A 78 13.602 1.437 2.698 1.00 0.94 C ATOM 1174 O ASP A 78 14.823 1.453 2.610 1.00 1.09 O ATOM 1175 CB ASP A 78 12.484 1.274 4.953 1.00 0.91 C ATOM 1176 CG ASP A 78 13.631 0.513 5.577 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.465 1.132 6.253 1.00 1.32 O ATOM 1178 OD2 ASP A 78 13.780 -0.696 5.303 1.00 1.26 O ATOM 0 H ASP A 78 10.816 2.446 3.574 1.00 0.71 H new ATOM 0 HA ASP A 78 13.569 2.966 4.192 1.00 0.84 H new ATOM 0 HB2 ASP A 78 11.990 1.860 5.729 1.00 0.91 H new ATOM 0 HB3 ASP A 78 11.752 0.558 4.580 1.00 0.91 H new