USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 Single : A 3 THR OG1 : rot -137:sc= 1.98 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.283 F(o=-2.6,f=-0.28) USER MOD Single : A 16 ASN : amide:sc= -2.82 K(o=-2.8,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 1.31 (180deg=1.18) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 1.63 (180deg=0.4!) USER MOD Single : A 31 SER OG : rot 35:sc= 1.2 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 40 SER OG : rot -3:sc= 1.17 USER MOD Single : A 42 SER OG : rot -108:sc= -1.36 USER MOD Single : A 43 MET CE :methyl 180:sc= -2.79! (180deg=-2.79!) USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= 0.895 (180deg=-0.199!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 73 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 8.342 -10.262 1.128 1.00 0.51 N ATOM 24 CA THR A 3 7.939 -10.920 -0.079 1.00 0.54 C ATOM 25 C THR A 3 6.715 -10.217 -0.591 1.00 0.42 C ATOM 26 O THR A 3 6.334 -9.182 -0.032 1.00 0.37 O ATOM 27 CB THR A 3 7.575 -12.393 0.189 1.00 0.64 C ATOM 28 OG1 THR A 3 6.463 -12.427 1.099 1.00 0.63 O ATOM 29 CG2 THR A 3 8.749 -13.143 0.794 1.00 0.82 C ATOM 0 HA THR A 3 8.758 -10.890 -0.797 1.00 0.54 H new ATOM 0 HB THR A 3 7.316 -12.875 -0.754 1.00 0.64 H new ATOM 0 HG1 THR A 3 6.611 -13.126 1.770 1.00 0.63 H new ATOM 0 HG21 THR A 3 8.465 -14.180 0.973 1.00 0.82 H new ATOM 0 HG22 THR A 3 9.594 -13.112 0.106 1.00 0.82 H new ATOM 0 HG23 THR A 3 9.032 -12.676 1.738 1.00 0.82 H new ATOM 37 N GLN A 4 6.066 -10.777 -1.590 1.00 0.44 N ATOM 38 CA GLN A 4 4.815 -10.247 -2.056 1.00 0.42 C ATOM 39 C GLN A 4 3.819 -10.367 -0.937 1.00 0.38 C ATOM 40 O GLN A 4 3.206 -9.394 -0.542 1.00 0.38 O ATOM 41 CB GLN A 4 4.347 -10.990 -3.340 1.00 0.52 C ATOM 42 CG GLN A 4 2.956 -10.606 -3.903 1.00 0.66 C ATOM 43 CD GLN A 4 1.776 -11.399 -3.304 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.170 -10.896 -2.262 1.00 1.24 O flip ATOM 45 NE2 GLN A 4 1.416 -12.454 -3.805 1.00 0.63 N flip ATOM 0 H GLN A 4 6.391 -11.603 -2.093 1.00 0.44 H new ATOM 0 HA GLN A 4 4.920 -9.198 -2.332 1.00 0.42 H new ATOM 0 HB2 GLN A 4 5.088 -10.819 -4.121 1.00 0.52 H new ATOM 0 HB3 GLN A 4 4.345 -12.060 -3.132 1.00 0.52 H new ATOM 0 HG2 GLN A 4 2.789 -9.543 -3.727 1.00 0.66 H new ATOM 0 HG3 GLN A 4 2.963 -10.753 -4.983 1.00 0.66 H new ATOM 0 HE21 GLN A 4 1.906 -12.826 -4.619 1.00 0.63 H new ATOM 0 HE22 GLN A 4 0.625 -12.963 -3.409 1.00 0.63 H new ATOM 54 N GLU A 5 3.728 -11.550 -0.387 1.00 0.40 N ATOM 55 CA GLU A 5 2.789 -11.849 0.672 1.00 0.46 C ATOM 56 C GLU A 5 3.085 -11.039 1.937 1.00 0.37 C ATOM 57 O GLU A 5 2.173 -10.540 2.579 1.00 0.37 O ATOM 58 CB GLU A 5 2.785 -13.349 0.926 1.00 0.63 C ATOM 59 CG GLU A 5 2.293 -14.135 -0.281 1.00 1.35 C ATOM 60 CD GLU A 5 2.669 -15.586 -0.234 1.00 1.79 C ATOM 61 OE1 GLU A 5 3.829 -15.908 -0.569 1.00 2.43 O ATOM 62 OE2 GLU A 5 1.835 -16.437 0.113 1.00 2.08 O ATOM 0 H GLU A 5 4.308 -12.343 -0.662 1.00 0.40 H new ATOM 0 HA GLU A 5 1.788 -11.551 0.361 1.00 0.46 H new ATOM 0 HB2 GLU A 5 3.793 -13.675 1.183 1.00 0.63 H new ATOM 0 HB3 GLU A 5 2.150 -13.569 1.784 1.00 0.63 H new ATOM 0 HG2 GLU A 5 1.208 -14.049 -0.345 1.00 1.35 H new ATOM 0 HG3 GLU A 5 2.702 -13.689 -1.188 1.00 1.35 H new ATOM 69 N GLU A 6 4.357 -10.852 2.248 1.00 0.36 N ATOM 70 CA GLU A 6 4.738 -10.084 3.426 1.00 0.37 C ATOM 71 C GLU A 6 4.455 -8.592 3.282 1.00 0.29 C ATOM 72 O GLU A 6 3.921 -7.976 4.218 1.00 0.31 O ATOM 73 CB GLU A 6 6.174 -10.339 3.860 1.00 0.46 C ATOM 74 CG GLU A 6 6.360 -11.555 4.755 1.00 0.67 C ATOM 75 CD GLU A 6 5.899 -12.859 4.150 1.00 1.38 C ATOM 76 OE1 GLU A 6 6.671 -13.493 3.404 1.00 2.07 O ATOM 77 OE2 GLU A 6 4.755 -13.258 4.391 1.00 1.91 O ATOM 0 H GLU A 6 5.140 -11.218 1.706 1.00 0.36 H new ATOM 0 HA GLU A 6 4.095 -10.451 4.226 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.792 -10.461 2.970 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.543 -9.458 4.385 1.00 0.46 H new ATOM 0 HG2 GLU A 6 7.416 -11.642 5.012 1.00 0.67 H new ATOM 0 HG3 GLU A 6 5.818 -11.390 5.686 1.00 0.67 H new ATOM 84 N ILE A 7 4.832 -7.989 2.143 1.00 0.24 N ATOM 85 CA ILE A 7 4.485 -6.600 1.895 1.00 0.19 C ATOM 86 C ILE A 7 2.972 -6.434 1.879 1.00 0.17 C ATOM 87 O ILE A 7 2.429 -5.619 2.622 1.00 0.20 O ATOM 88 CB ILE A 7 5.055 -6.133 0.556 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.563 -6.253 0.587 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.636 -4.690 0.262 1.00 0.19 C ATOM 91 CD1 ILE A 7 7.200 -5.972 -0.731 1.00 0.25 C ATOM 0 H ILE A 7 5.366 -8.439 1.399 1.00 0.24 H new ATOM 0 HA ILE A 7 4.912 -5.995 2.695 1.00 0.19 H new ATOM 0 HB ILE A 7 4.659 -6.763 -0.240 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.961 -5.563 1.331 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.835 -7.259 0.908 1.00 0.23 H new ATOM 0 HG21 ILE A 7 5.053 -4.378 -0.696 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.549 -4.628 0.222 1.00 0.19 H new ATOM 0 HG23 ILE A 7 5.008 -4.035 1.050 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.281 -6.075 -0.642 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.828 -6.679 -1.473 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.957 -4.957 -1.044 1.00 0.25 H new ATOM 103 N VAL A 8 2.310 -7.232 1.053 1.00 0.15 N ATOM 104 CA VAL A 8 0.859 -7.147 0.881 1.00 0.15 C ATOM 105 C VAL A 8 0.113 -7.274 2.209 1.00 0.17 C ATOM 106 O VAL A 8 -0.723 -6.433 2.512 1.00 0.19 O ATOM 107 CB VAL A 8 0.324 -8.163 -0.168 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.190 -8.174 -0.205 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.849 -7.803 -1.542 1.00 0.18 C ATOM 0 H VAL A 8 2.756 -7.953 0.485 1.00 0.15 H new ATOM 0 HA VAL A 8 0.659 -6.150 0.489 1.00 0.15 H new ATOM 0 HB VAL A 8 0.671 -9.155 0.121 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.531 -8.895 -0.948 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.576 -8.454 0.775 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.555 -7.181 -0.468 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.472 -8.517 -2.274 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.515 -6.800 -1.808 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.939 -7.832 -1.534 1.00 0.18 H new ATOM 119 N ALA A 9 0.443 -8.285 3.016 1.00 0.19 N ATOM 120 CA ALA A 9 -0.212 -8.468 4.321 1.00 0.22 C ATOM 121 C ALA A 9 0.044 -7.276 5.241 1.00 0.18 C ATOM 122 O ALA A 9 -0.817 -6.894 6.024 1.00 0.20 O ATOM 123 CB ALA A 9 0.262 -9.747 4.991 1.00 0.28 C ATOM 0 H ALA A 9 1.152 -8.985 2.796 1.00 0.19 H new ATOM 0 HA ALA A 9 -1.284 -8.541 4.140 1.00 0.22 H new ATOM 0 HB1 ALA A 9 -0.236 -9.860 5.954 1.00 0.28 H new ATOM 0 HB2 ALA A 9 0.023 -10.600 4.356 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.340 -9.700 5.144 1.00 0.28 H new ATOM 129 N GLY A 10 1.205 -6.659 5.077 1.00 0.17 N ATOM 130 CA GLY A 10 1.600 -5.551 5.890 1.00 0.17 C ATOM 131 C GLY A 10 0.846 -4.322 5.517 1.00 0.15 C ATOM 132 O GLY A 10 0.472 -3.551 6.360 1.00 0.18 O ATOM 0 H GLY A 10 1.891 -6.924 4.371 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.425 -5.785 6.940 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.670 -5.375 5.776 1.00 0.17 H new ATOM 136 N LEU A 11 0.624 -4.149 4.240 1.00 0.14 N ATOM 137 CA LEU A 11 -0.174 -3.044 3.750 1.00 0.14 C ATOM 138 C LEU A 11 -1.606 -3.282 4.145 1.00 0.13 C ATOM 139 O LEU A 11 -2.253 -2.410 4.714 1.00 0.15 O ATOM 140 CB LEU A 11 -0.083 -2.948 2.221 1.00 0.14 C ATOM 141 CG LEU A 11 1.318 -2.813 1.627 1.00 0.18 C ATOM 142 CD1 LEU A 11 1.254 -2.790 0.111 1.00 0.17 C ATOM 143 CD2 LEU A 11 2.004 -1.569 2.153 1.00 0.26 C ATOM 0 H LEU A 11 0.986 -4.763 3.511 1.00 0.14 H new ATOM 0 HA LEU A 11 0.196 -2.113 4.179 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.549 -3.836 1.795 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -0.674 -2.091 1.897 1.00 0.14 H new ATOM 0 HG LEU A 11 1.905 -3.680 1.932 1.00 0.18 H new ATOM 0 HD11 LEU A 11 2.261 -2.693 -0.294 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.806 -3.716 -0.248 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.649 -1.944 -0.215 1.00 0.17 H new ATOM 0 HD21 LEU A 11 3.000 -1.491 1.718 1.00 0.26 H new ATOM 0 HD22 LEU A 11 1.420 -0.689 1.882 1.00 0.26 H new ATOM 0 HD23 LEU A 11 2.086 -1.630 3.238 1.00 0.26 H new ATOM 155 N ALA A 12 -2.069 -4.499 3.888 1.00 0.12 N ATOM 156 CA ALA A 12 -3.427 -4.902 4.149 1.00 0.13 C ATOM 157 C ALA A 12 -3.820 -4.679 5.577 1.00 0.13 C ATOM 158 O ALA A 12 -4.839 -4.067 5.817 1.00 0.15 O ATOM 159 CB ALA A 12 -3.645 -6.340 3.781 1.00 0.14 C ATOM 0 H ALA A 12 -1.494 -5.239 3.486 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.062 -4.274 3.524 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.679 -6.616 3.989 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.439 -6.479 2.720 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.976 -6.971 4.367 1.00 0.14 H new ATOM 165 N GLU A 13 -2.989 -5.127 6.524 1.00 0.13 N ATOM 166 CA GLU A 13 -3.297 -4.978 7.952 1.00 0.18 C ATOM 167 C GLU A 13 -3.510 -3.525 8.337 1.00 0.18 C ATOM 168 O GLU A 13 -4.275 -3.223 9.247 1.00 0.27 O ATOM 169 CB GLU A 13 -2.252 -5.645 8.852 1.00 0.27 C ATOM 170 CG GLU A 13 -0.852 -5.113 8.662 1.00 0.28 C ATOM 171 CD GLU A 13 0.151 -5.726 9.587 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.686 -6.800 9.260 1.00 0.76 O ATOM 173 OE2 GLU A 13 0.405 -5.179 10.689 1.00 0.66 O ATOM 0 H GLU A 13 -2.103 -5.593 6.330 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.238 -5.504 8.116 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.544 -5.509 9.893 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.252 -6.718 8.659 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.541 -5.291 7.633 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -0.859 -4.033 8.811 1.00 0.28 H new ATOM 180 N ILE A 14 -2.856 -2.642 7.629 1.00 0.13 N ATOM 181 CA ILE A 14 -3.031 -1.212 7.842 1.00 0.13 C ATOM 182 C ILE A 14 -4.379 -0.766 7.210 1.00 0.13 C ATOM 183 O ILE A 14 -5.207 -0.109 7.854 1.00 0.17 O ATOM 184 CB ILE A 14 -1.867 -0.444 7.204 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.551 -0.967 7.763 1.00 0.19 C ATOM 186 CG2 ILE A 14 -2.001 1.035 7.531 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.650 -0.517 6.985 1.00 0.25 C ATOM 0 H ILE A 14 -2.191 -2.881 6.893 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.044 -0.998 8.911 1.00 0.13 H new ATOM 0 HB ILE A 14 -1.886 -0.583 6.123 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.448 -0.638 8.797 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.578 -2.057 7.776 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.175 1.584 7.079 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -2.945 1.411 7.137 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -1.979 1.172 8.612 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.552 -0.927 7.439 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.570 -0.869 5.956 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.702 0.572 6.993 1.00 0.25 H new ATOM 199 N VAL A 15 -4.573 -1.132 5.938 1.00 0.10 N ATOM 200 CA VAL A 15 -5.803 -0.875 5.168 1.00 0.11 C ATOM 201 C VAL A 15 -7.033 -1.366 5.945 1.00 0.12 C ATOM 202 O VAL A 15 -8.061 -0.706 5.949 1.00 0.17 O ATOM 203 CB VAL A 15 -5.739 -1.617 3.809 1.00 0.12 C ATOM 204 CG1 VAL A 15 -6.957 -1.327 2.953 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.492 -1.232 3.068 1.00 0.15 C ATOM 0 H VAL A 15 -3.863 -1.628 5.399 1.00 0.10 H new ATOM 0 HA VAL A 15 -5.886 0.199 5.001 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.723 -2.687 4.018 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -6.875 -1.865 2.009 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -7.856 -1.650 3.478 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.017 -0.257 2.756 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.458 -1.759 2.115 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.493 -0.157 2.888 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.618 -1.500 3.662 1.00 0.15 H new ATOM 215 N ASN A 16 -6.892 -2.518 6.598 1.00 0.11 N ATOM 216 CA ASN A 16 -7.936 -3.136 7.463 1.00 0.15 C ATOM 217 C ASN A 16 -8.507 -2.128 8.449 1.00 0.19 C ATOM 218 O ASN A 16 -9.712 -2.069 8.673 1.00 0.27 O ATOM 219 CB ASN A 16 -7.338 -4.284 8.306 1.00 0.18 C ATOM 220 CG ASN A 16 -7.160 -5.644 7.633 1.00 0.32 C ATOM 221 OD1 ASN A 16 -7.207 -6.664 8.304 1.00 0.85 O ATOM 222 ND2 ASN A 16 -6.953 -5.693 6.346 1.00 0.15 N ATOM 0 H ASN A 16 -6.037 -3.072 6.550 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.714 -3.501 6.793 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.363 -3.960 8.669 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -7.974 -4.424 9.180 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -6.827 -6.593 5.884 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -6.917 -4.831 5.802 1.00 0.15 H new ATOM 229 N GLU A 17 -7.630 -1.327 9.017 1.00 0.21 N ATOM 230 CA GLU A 17 -8.004 -0.385 10.044 1.00 0.29 C ATOM 231 C GLU A 17 -8.673 0.856 9.483 1.00 0.27 C ATOM 232 O GLU A 17 -9.718 1.275 9.974 1.00 0.39 O ATOM 233 CB GLU A 17 -6.785 0.007 10.872 1.00 0.40 C ATOM 234 CG GLU A 17 -6.168 -1.146 11.632 1.00 0.51 C ATOM 235 CD GLU A 17 -4.944 -0.745 12.410 1.00 1.42 C ATOM 236 OE1 GLU A 17 -5.055 0.056 13.354 1.00 1.56 O ATOM 237 OE2 GLU A 17 -3.843 -1.244 12.117 1.00 2.35 O ATOM 0 H GLU A 17 -6.639 -1.313 8.778 1.00 0.21 H new ATOM 0 HA GLU A 17 -8.734 -0.884 10.681 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -6.033 0.439 10.212 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -7.073 0.784 11.580 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -6.908 -1.561 12.316 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -5.904 -1.937 10.930 1.00 0.51 H new ATOM 244 N ILE A 18 -8.101 1.437 8.453 1.00 0.21 N ATOM 245 CA ILE A 18 -8.624 2.714 7.983 1.00 0.22 C ATOM 246 C ILE A 18 -9.672 2.507 6.883 1.00 0.23 C ATOM 247 O ILE A 18 -10.805 2.969 6.999 1.00 0.28 O ATOM 248 CB ILE A 18 -7.502 3.576 7.381 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.203 3.463 8.176 1.00 0.24 C ATOM 250 CG2 ILE A 18 -7.952 5.034 7.372 1.00 0.28 C ATOM 251 CD1 ILE A 18 -5.049 4.149 7.500 1.00 0.27 C ATOM 0 H ILE A 18 -7.303 1.069 7.936 1.00 0.21 H new ATOM 0 HA ILE A 18 -9.069 3.209 8.847 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.308 3.218 6.370 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.349 3.896 9.166 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -5.961 2.410 8.321 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.164 5.655 6.947 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -8.856 5.132 6.770 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.158 5.357 8.392 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.152 4.037 8.109 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -4.882 3.700 6.521 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.276 5.208 7.379 1.00 0.27 H new ATOM 263 N ALA A 19 -9.302 1.785 5.833 1.00 0.21 N ATOM 264 CA ALA A 19 -10.215 1.581 4.708 1.00 0.26 C ATOM 265 C ALA A 19 -11.215 0.485 4.993 1.00 0.26 C ATOM 266 O ALA A 19 -12.342 0.520 4.514 1.00 0.44 O ATOM 267 CB ALA A 19 -9.450 1.263 3.447 1.00 0.28 C ATOM 0 H ALA A 19 -8.392 1.336 5.734 1.00 0.21 H new ATOM 0 HA ALA A 19 -10.763 2.512 4.566 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.150 1.115 2.624 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -8.780 2.089 3.210 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -8.867 0.354 3.595 1.00 0.28 H new ATOM 273 N GLY A 20 -10.796 -0.489 5.751 1.00 0.18 N ATOM 274 CA GLY A 20 -11.667 -1.573 6.100 1.00 0.22 C ATOM 275 C GLY A 20 -11.565 -2.729 5.133 1.00 0.18 C ATOM 276 O GLY A 20 -12.364 -3.663 5.199 1.00 0.27 O ATOM 0 H GLY A 20 -9.855 -0.554 6.139 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.425 -1.921 7.104 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.696 -1.215 6.126 1.00 0.22 H new ATOM 280 N ILE A 21 -10.589 -2.686 4.232 1.00 0.14 N ATOM 281 CA ILE A 21 -10.414 -3.754 3.282 1.00 0.15 C ATOM 282 C ILE A 21 -9.704 -4.883 3.967 1.00 0.16 C ATOM 283 O ILE A 21 -8.609 -4.668 4.479 1.00 0.17 O ATOM 284 CB ILE A 21 -9.568 -3.315 2.081 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.236 -2.136 1.417 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.429 -4.472 1.099 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.674 -2.424 1.068 1.00 0.25 C ATOM 0 H ILE A 21 -9.916 -1.924 4.148 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.397 -4.053 2.919 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.572 -3.023 2.413 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.190 -1.272 2.080 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.689 -1.872 0.512 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.827 -4.156 0.247 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.944 -5.313 1.594 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.417 -4.776 0.753 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -12.115 -1.548 0.592 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.720 -3.271 0.383 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.228 -2.662 1.976 1.00 0.25 H new ATOM 299 N PRO A 22 -10.304 -6.080 4.001 1.00 0.21 N ATOM 300 CA PRO A 22 -9.724 -7.241 4.680 1.00 0.24 C ATOM 301 C PRO A 22 -8.402 -7.673 4.049 1.00 0.21 C ATOM 302 O PRO A 22 -8.153 -7.410 2.855 1.00 0.21 O ATOM 303 CB PRO A 22 -10.772 -8.335 4.489 1.00 0.33 C ATOM 304 CG PRO A 22 -12.018 -7.635 4.118 1.00 0.33 C ATOM 305 CD PRO A 22 -11.592 -6.414 3.372 1.00 0.25 C ATOM 0 HA PRO A 22 -9.498 -7.026 5.724 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.470 -9.035 3.710 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.905 -8.913 5.403 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.653 -8.269 3.500 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.596 -7.370 5.003 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.482 -6.609 2.305 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.314 -5.604 3.475 1.00 0.25 H new ATOM 313 N VAL A 23 -7.574 -8.366 4.830 1.00 0.24 N ATOM 314 CA VAL A 23 -6.255 -8.796 4.370 1.00 0.29 C ATOM 315 C VAL A 23 -6.362 -9.725 3.169 1.00 0.35 C ATOM 316 O VAL A 23 -5.534 -9.685 2.264 1.00 0.51 O ATOM 317 CB VAL A 23 -5.385 -9.472 5.489 1.00 0.37 C ATOM 318 CG1 VAL A 23 -5.020 -8.487 6.581 1.00 0.84 C ATOM 319 CG2 VAL A 23 -6.087 -10.684 6.093 1.00 0.90 C ATOM 0 H VAL A 23 -7.795 -8.642 5.787 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.741 -7.880 4.078 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.467 -9.811 5.009 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -4.418 -8.990 7.338 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -4.450 -7.663 6.152 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -5.929 -8.099 7.040 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.454 -11.125 6.863 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -7.034 -10.373 6.535 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -6.276 -11.421 5.313 1.00 0.90 H new ATOM 329 N GLU A 24 -7.423 -10.507 3.136 1.00 0.37 N ATOM 330 CA GLU A 24 -7.624 -11.452 2.068 1.00 0.54 C ATOM 331 C GLU A 24 -8.212 -10.815 0.843 1.00 0.40 C ATOM 332 O GLU A 24 -8.192 -11.406 -0.235 1.00 0.46 O ATOM 333 CB GLU A 24 -8.463 -12.627 2.531 1.00 0.87 C ATOM 334 CG GLU A 24 -7.777 -13.443 3.601 1.00 1.32 C ATOM 335 CD GLU A 24 -6.500 -14.092 3.098 1.00 2.07 C ATOM 336 OE1 GLU A 24 -5.501 -13.400 2.859 1.00 2.99 O ATOM 337 OE2 GLU A 24 -6.482 -15.318 2.898 1.00 2.34 O ATOM 0 H GLU A 24 -8.159 -10.502 3.842 1.00 0.37 H new ATOM 0 HA GLU A 24 -6.640 -11.826 1.786 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -9.416 -12.260 2.913 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -8.687 -13.268 1.678 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -7.546 -12.802 4.452 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -8.458 -14.215 3.959 1.00 1.32 H new ATOM 344 N ASP A 25 -8.711 -9.612 0.973 1.00 0.30 N ATOM 345 CA ASP A 25 -9.263 -8.957 -0.170 1.00 0.25 C ATOM 346 C ASP A 25 -8.142 -8.222 -0.885 1.00 0.20 C ATOM 347 O ASP A 25 -8.074 -8.217 -2.129 1.00 0.20 O ATOM 348 CB ASP A 25 -10.401 -8.025 0.224 1.00 0.31 C ATOM 349 CG ASP A 25 -11.226 -7.604 -0.963 1.00 0.42 C ATOM 350 OD1 ASP A 25 -11.764 -8.493 -1.661 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.401 -6.404 -1.195 1.00 0.53 O ATOM 0 H ASP A 25 -8.744 -9.080 1.843 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.698 -9.691 -0.848 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -11.042 -8.523 0.952 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -9.992 -7.141 0.712 1.00 0.31 H new ATOM 356 N VAL A 26 -7.234 -7.639 -0.081 1.00 0.18 N ATOM 357 CA VAL A 26 -6.031 -6.970 -0.561 1.00 0.16 C ATOM 358 C VAL A 26 -5.068 -7.995 -1.161 1.00 0.16 C ATOM 359 O VAL A 26 -4.350 -8.682 -0.441 1.00 0.19 O ATOM 360 CB VAL A 26 -5.281 -6.247 0.606 1.00 0.15 C ATOM 361 CG1 VAL A 26 -4.008 -5.565 0.117 1.00 0.16 C ATOM 362 CG2 VAL A 26 -6.163 -5.239 1.301 1.00 0.18 C ATOM 0 H VAL A 26 -7.326 -7.624 0.935 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.342 -6.240 -1.308 1.00 0.16 H new ATOM 0 HB VAL A 26 -5.010 -7.021 1.324 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.514 -5.073 0.955 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.338 -6.310 -0.313 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -4.261 -4.824 -0.641 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.604 -4.760 2.105 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.488 -4.485 0.585 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -7.035 -5.744 1.717 1.00 0.18 H new ATOM 372 N LYS A 27 -5.136 -8.162 -2.443 1.00 0.21 N ATOM 373 CA LYS A 27 -4.203 -8.996 -3.165 1.00 0.25 C ATOM 374 C LYS A 27 -3.529 -8.101 -4.187 1.00 0.44 C ATOM 375 O LYS A 27 -4.040 -7.030 -4.455 1.00 1.20 O ATOM 376 CB LYS A 27 -4.900 -10.219 -3.792 1.00 0.26 C ATOM 377 CG LYS A 27 -5.547 -11.162 -2.763 1.00 0.36 C ATOM 378 CD LYS A 27 -4.528 -11.673 -1.738 1.00 1.43 C ATOM 379 CE LYS A 27 -5.203 -12.449 -0.606 1.00 1.66 C ATOM 380 NZ LYS A 27 -4.260 -12.799 0.484 1.00 2.03 N ATOM 0 H LYS A 27 -5.844 -7.723 -3.032 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.454 -9.424 -2.499 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.666 -9.872 -4.485 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.171 -10.780 -4.377 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -6.351 -10.639 -2.246 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -5.998 -12.009 -3.280 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -3.802 -12.315 -2.236 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -3.976 -10.830 -1.322 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -6.020 -11.853 -0.198 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -5.644 -13.361 -1.008 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -4.791 -12.959 1.364 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -3.742 -13.664 0.230 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -3.585 -12.020 0.623 1.00 2.03 H new ATOM 394 N LEU A 28 -2.438 -8.514 -4.771 1.00 0.34 N ATOM 395 CA LEU A 28 -1.609 -7.591 -5.556 1.00 0.34 C ATOM 396 C LEU A 28 -2.315 -7.009 -6.802 1.00 0.32 C ATOM 397 O LEU A 28 -2.072 -5.867 -7.193 1.00 0.46 O ATOM 398 CB LEU A 28 -0.240 -8.236 -5.893 1.00 0.56 C ATOM 399 CG LEU A 28 -0.124 -9.152 -7.120 1.00 0.58 C ATOM 400 CD1 LEU A 28 0.034 -8.348 -8.408 1.00 1.20 C ATOM 401 CD2 LEU A 28 1.034 -10.100 -6.956 1.00 1.12 C ATOM 0 H LEU A 28 -2.090 -9.472 -4.729 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.429 -6.723 -4.921 1.00 0.34 H new ATOM 0 HB2 LEU A 28 0.481 -7.428 -6.018 1.00 0.56 H new ATOM 0 HB3 LEU A 28 0.074 -8.812 -5.023 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.049 -9.724 -7.195 1.00 0.58 H new ATOM 0 HD11 LEU A 28 0.113 -9.030 -9.255 1.00 1.20 H new ATOM 0 HD12 LEU A 28 -0.833 -7.702 -8.542 1.00 1.20 H new ATOM 0 HD13 LEU A 28 0.935 -7.738 -8.348 1.00 1.20 H new ATOM 0 HD21 LEU A 28 1.104 -10.743 -7.833 1.00 1.12 H new ATOM 0 HD22 LEU A 28 1.957 -9.531 -6.848 1.00 1.12 H new ATOM 0 HD23 LEU A 28 0.880 -10.713 -6.068 1.00 1.12 H new ATOM 413 N ASP A 29 -3.230 -7.737 -7.347 1.00 0.34 N ATOM 414 CA ASP A 29 -3.873 -7.356 -8.591 1.00 0.46 C ATOM 415 C ASP A 29 -5.078 -6.484 -8.293 1.00 0.34 C ATOM 416 O ASP A 29 -5.849 -6.111 -9.171 1.00 0.56 O ATOM 417 CB ASP A 29 -4.257 -8.639 -9.342 1.00 0.79 C ATOM 418 CG ASP A 29 -5.012 -8.436 -10.639 1.00 1.41 C ATOM 419 OD1 ASP A 29 -4.415 -7.924 -11.623 1.00 1.85 O ATOM 420 OD2 ASP A 29 -6.225 -8.716 -10.696 1.00 2.12 O ATOM 0 H ASP A 29 -3.564 -8.617 -6.954 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.202 -6.772 -9.221 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -3.347 -9.200 -9.556 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -4.865 -9.257 -8.681 1.00 0.79 H new ATOM 425 N LYS A 30 -5.192 -6.094 -7.047 1.00 0.26 N ATOM 426 CA LYS A 30 -6.291 -5.351 -6.630 1.00 0.21 C ATOM 427 C LYS A 30 -5.897 -3.922 -6.540 1.00 0.22 C ATOM 428 O LYS A 30 -4.973 -3.551 -5.820 1.00 0.32 O ATOM 429 CB LYS A 30 -6.799 -5.799 -5.275 1.00 0.23 C ATOM 430 CG LYS A 30 -7.103 -7.261 -5.116 1.00 0.43 C ATOM 431 CD LYS A 30 -7.993 -7.806 -6.203 1.00 0.61 C ATOM 432 CE LYS A 30 -8.769 -8.998 -5.697 1.00 0.66 C ATOM 433 NZ LYS A 30 -9.650 -8.596 -4.574 1.00 1.38 N ATOM 0 H LYS A 30 -4.511 -6.297 -6.316 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.090 -5.498 -7.357 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -6.057 -5.523 -4.526 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.705 -5.237 -5.049 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -6.168 -7.821 -5.107 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -7.581 -7.423 -4.150 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -8.682 -7.032 -6.540 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -7.391 -8.095 -7.065 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -9.367 -9.421 -6.504 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -8.081 -9.776 -5.368 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -10.453 -9.254 -4.510 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -9.111 -8.619 -3.685 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -10.005 -7.632 -4.739 1.00 1.38 H new ATOM 447 N SER A 31 -6.509 -3.165 -7.315 1.00 0.20 N ATOM 448 CA SER A 31 -6.383 -1.757 -7.240 1.00 0.21 C ATOM 449 C SER A 31 -7.200 -1.311 -6.046 1.00 0.19 C ATOM 450 O SER A 31 -8.418 -1.484 -6.028 1.00 0.21 O ATOM 451 CB SER A 31 -6.885 -1.087 -8.535 1.00 0.26 C ATOM 452 OG SER A 31 -6.650 0.317 -8.525 1.00 1.23 O ATOM 0 H SER A 31 -7.136 -3.492 -8.050 1.00 0.20 H new ATOM 0 HA SER A 31 -5.339 -1.466 -7.126 1.00 0.21 H new ATOM 0 HB2 SER A 31 -6.384 -1.534 -9.394 1.00 0.26 H new ATOM 0 HB3 SER A 31 -7.952 -1.277 -8.653 1.00 0.26 H new ATOM 0 HG SER A 31 -5.809 0.505 -8.059 1.00 1.23 H new ATOM 458 N PHE A 32 -6.511 -0.874 -5.016 1.00 0.21 N ATOM 459 CA PHE A 32 -7.140 -0.340 -3.798 1.00 0.20 C ATOM 460 C PHE A 32 -8.362 0.550 -4.093 1.00 0.23 C ATOM 461 O PHE A 32 -9.501 0.207 -3.722 1.00 0.28 O ATOM 462 CB PHE A 32 -6.132 0.453 -2.976 1.00 0.21 C ATOM 463 CG PHE A 32 -5.151 -0.367 -2.202 1.00 0.18 C ATOM 464 CD1 PHE A 32 -5.514 -0.880 -0.973 1.00 0.22 C ATOM 465 CD2 PHE A 32 -3.876 -0.618 -2.681 1.00 0.17 C ATOM 466 CE1 PHE A 32 -4.639 -1.627 -0.232 1.00 0.22 C ATOM 467 CE2 PHE A 32 -2.990 -1.362 -1.944 1.00 0.18 C ATOM 468 CZ PHE A 32 -3.368 -1.873 -0.713 1.00 0.18 C ATOM 0 H PHE A 32 -5.491 -0.873 -4.986 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.488 -1.205 -3.234 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.580 1.112 -3.646 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.677 1.090 -2.280 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -6.505 -0.689 -0.590 1.00 0.22 H new ATOM 0 HD2 PHE A 32 -3.577 -0.225 -3.642 1.00 0.17 H new ATOM 0 HE1 PHE A 32 -4.942 -2.023 0.726 1.00 0.22 H new ATOM 0 HE2 PHE A 32 -1.997 -1.550 -2.324 1.00 0.18 H new ATOM 0 HZ PHE A 32 -2.672 -2.461 -0.132 1.00 0.18 H new ATOM 478 N THR A 33 -8.116 1.676 -4.722 1.00 0.25 N ATOM 479 CA THR A 33 -9.119 2.656 -5.116 1.00 0.37 C ATOM 480 C THR A 33 -9.967 2.195 -6.342 1.00 0.37 C ATOM 481 O THR A 33 -10.251 2.989 -7.258 1.00 0.59 O ATOM 482 CB THR A 33 -8.352 3.924 -5.496 1.00 0.56 C ATOM 483 OG1 THR A 33 -7.081 3.882 -4.818 1.00 1.39 O ATOM 484 CG2 THR A 33 -9.094 5.161 -5.032 1.00 0.88 C ATOM 0 H THR A 33 -7.171 1.952 -4.988 1.00 0.25 H new ATOM 0 HA THR A 33 -9.817 2.806 -4.292 1.00 0.37 H new ATOM 0 HB THR A 33 -8.237 3.968 -6.579 1.00 0.56 H new ATOM 0 HG1 THR A 33 -6.563 4.683 -5.043 1.00 1.39 H new ATOM 0 HG21 THR A 33 -8.530 6.050 -5.313 1.00 0.88 H new ATOM 0 HG22 THR A 33 -10.078 5.192 -5.500 1.00 0.88 H new ATOM 0 HG23 THR A 33 -9.209 5.131 -3.948 1.00 0.88 H new ATOM 492 N ASP A 34 -10.427 0.959 -6.324 1.00 0.27 N ATOM 493 CA ASP A 34 -11.221 0.419 -7.431 1.00 0.29 C ATOM 494 C ASP A 34 -11.825 -0.909 -7.060 1.00 0.30 C ATOM 495 O ASP A 34 -13.037 -1.057 -7.002 1.00 0.46 O ATOM 496 CB ASP A 34 -10.364 0.242 -8.706 1.00 0.34 C ATOM 497 CG ASP A 34 -11.164 -0.289 -9.880 1.00 0.44 C ATOM 498 OD1 ASP A 34 -11.826 0.496 -10.584 1.00 0.59 O ATOM 499 OD2 ASP A 34 -11.154 -1.502 -10.108 1.00 0.54 O ATOM 0 H ASP A 34 -10.269 0.303 -5.559 1.00 0.27 H new ATOM 0 HA ASP A 34 -12.015 1.137 -7.634 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -9.921 1.200 -8.977 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.541 -0.441 -8.494 1.00 0.34 H new ATOM 504 N ASP A 35 -10.965 -1.852 -6.780 1.00 0.22 N ATOM 505 CA ASP A 35 -11.351 -3.221 -6.496 1.00 0.25 C ATOM 506 C ASP A 35 -11.813 -3.358 -5.102 1.00 0.28 C ATOM 507 O ASP A 35 -12.974 -3.683 -4.839 1.00 0.47 O ATOM 508 CB ASP A 35 -10.156 -4.148 -6.656 1.00 0.29 C ATOM 509 CG ASP A 35 -10.540 -5.609 -6.472 1.00 0.88 C ATOM 510 OD1 ASP A 35 -10.930 -6.273 -7.450 1.00 1.31 O ATOM 511 OD2 ASP A 35 -10.471 -6.109 -5.342 1.00 1.28 O ATOM 0 H ASP A 35 -9.958 -1.694 -6.741 1.00 0.22 H new ATOM 0 HA ASP A 35 -12.149 -3.482 -7.192 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -9.720 -4.010 -7.645 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.389 -3.880 -5.929 1.00 0.29 H new ATOM 516 N LEU A 36 -10.885 -3.101 -4.227 1.00 0.19 N ATOM 517 CA LEU A 36 -11.037 -3.286 -2.825 1.00 0.18 C ATOM 518 C LEU A 36 -12.147 -2.437 -2.289 1.00 0.22 C ATOM 519 O LEU A 36 -13.236 -2.946 -2.016 1.00 0.41 O ATOM 520 CB LEU A 36 -9.707 -2.960 -2.159 1.00 0.16 C ATOM 521 CG LEU A 36 -8.531 -3.794 -2.650 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.280 -3.481 -1.893 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.844 -5.245 -2.543 1.00 0.21 C ATOM 0 H LEU A 36 -9.966 -2.742 -4.488 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.308 -4.320 -2.609 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.482 -1.906 -2.323 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.811 -3.100 -1.083 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.361 -3.541 -3.696 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.463 -4.095 -2.271 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -7.031 -2.427 -2.021 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.433 -3.692 -0.835 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -7.994 -5.828 -2.898 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -9.048 -5.497 -1.502 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.720 -5.474 -3.150 1.00 0.21 H new ATOM 535 N ASP A 37 -11.826 -1.169 -2.153 1.00 0.21 N ATOM 536 CA ASP A 37 -12.700 -0.040 -1.721 1.00 0.31 C ATOM 537 C ASP A 37 -11.945 0.744 -0.679 1.00 0.32 C ATOM 538 O ASP A 37 -12.241 0.680 0.519 1.00 0.65 O ATOM 539 CB ASP A 37 -14.066 -0.441 -1.115 1.00 0.49 C ATOM 540 CG ASP A 37 -15.101 0.654 -1.244 1.00 0.82 C ATOM 541 OD1 ASP A 37 -15.109 1.603 -0.432 1.00 1.05 O ATOM 542 OD2 ASP A 37 -15.931 0.595 -2.189 1.00 1.24 O ATOM 0 H ASP A 37 -10.878 -0.849 -2.351 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.932 0.524 -2.624 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.430 -1.341 -1.611 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -13.934 -0.689 -0.062 1.00 0.49 H new ATOM 547 N VAL A 38 -10.902 1.392 -1.088 1.00 0.30 N ATOM 548 CA VAL A 38 -10.145 2.144 -0.147 1.00 0.32 C ATOM 549 C VAL A 38 -10.737 3.538 -0.039 1.00 0.38 C ATOM 550 O VAL A 38 -11.301 4.063 -0.995 1.00 0.52 O ATOM 551 CB VAL A 38 -8.623 2.189 -0.496 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.335 3.064 -1.697 1.00 0.65 C ATOM 553 CG2 VAL A 38 -7.767 2.602 0.692 1.00 0.79 C ATOM 0 H VAL A 38 -10.561 1.415 -2.049 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.207 1.646 0.821 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.347 1.168 -0.758 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -7.264 3.063 -1.900 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.869 2.678 -2.565 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.664 4.083 -1.492 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.718 2.618 0.397 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -8.065 3.596 1.027 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -7.904 1.889 1.505 1.00 0.79 H new ATOM 563 N ASP A 39 -10.568 4.136 1.097 1.00 0.47 N ATOM 564 CA ASP A 39 -11.093 5.435 1.390 1.00 0.61 C ATOM 565 C ASP A 39 -10.151 6.514 0.850 1.00 0.60 C ATOM 566 O ASP A 39 -10.434 7.698 0.931 1.00 1.08 O ATOM 567 CB ASP A 39 -11.312 5.495 2.922 1.00 0.82 C ATOM 568 CG ASP A 39 -11.080 6.829 3.569 1.00 1.49 C ATOM 569 OD1 ASP A 39 -9.932 7.130 3.983 1.00 2.28 O ATOM 570 OD2 ASP A 39 -12.057 7.618 3.634 1.00 1.92 O ATOM 0 H ASP A 39 -10.046 3.723 1.870 1.00 0.47 H new ATOM 0 HA ASP A 39 -12.048 5.621 0.899 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -12.334 5.183 3.135 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -10.652 4.766 3.392 1.00 0.82 H new ATOM 575 N SER A 40 -9.047 6.041 0.215 1.00 0.38 N ATOM 576 CA SER A 40 -7.948 6.831 -0.365 1.00 0.37 C ATOM 577 C SER A 40 -7.194 7.698 0.656 1.00 0.32 C ATOM 578 O SER A 40 -5.988 7.850 0.559 1.00 0.37 O ATOM 579 CB SER A 40 -8.382 7.628 -1.590 1.00 0.56 C ATOM 580 OG SER A 40 -9.300 8.683 -1.217 1.00 0.75 O ATOM 0 H SER A 40 -8.899 5.039 0.091 1.00 0.38 H new ATOM 0 HA SER A 40 -7.223 6.093 -0.707 1.00 0.37 H new ATOM 0 HB2 SER A 40 -7.507 8.057 -2.079 1.00 0.56 H new ATOM 0 HB3 SER A 40 -8.858 6.964 -2.312 1.00 0.56 H new ATOM 0 HG SER A 40 -9.487 8.630 -0.256 1.00 0.75 H new ATOM 585 N LEU A 41 -7.884 8.175 1.669 1.00 0.31 N ATOM 586 CA LEU A 41 -7.286 9.000 2.692 1.00 0.32 C ATOM 587 C LEU A 41 -6.532 8.066 3.590 1.00 0.26 C ATOM 588 O LEU A 41 -5.512 8.413 4.186 1.00 0.36 O ATOM 589 CB LEU A 41 -8.368 9.747 3.486 1.00 0.39 C ATOM 590 CG LEU A 41 -9.394 10.536 2.658 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.402 11.217 3.563 1.00 0.86 C ATOM 592 CD2 LEU A 41 -8.714 11.561 1.774 1.00 0.77 C ATOM 0 H LEU A 41 -8.880 8.000 1.805 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.630 9.754 2.258 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -8.906 9.022 4.098 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -7.875 10.438 4.170 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.918 9.826 2.018 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -11.120 11.770 2.957 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -10.928 10.466 4.152 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -9.884 11.905 4.231 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -9.466 12.103 1.201 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -8.155 12.262 2.394 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -8.031 11.056 1.091 1.00 0.77 H new ATOM 604 N SER A 42 -7.022 6.826 3.592 1.00 0.16 N ATOM 605 CA SER A 42 -6.447 5.732 4.274 1.00 0.19 C ATOM 606 C SER A 42 -5.050 5.573 3.803 1.00 0.15 C ATOM 607 O SER A 42 -4.161 5.379 4.588 1.00 0.15 O ATOM 608 CB SER A 42 -7.197 4.467 3.891 1.00 0.30 C ATOM 609 OG SER A 42 -8.589 4.612 4.052 1.00 0.71 O ATOM 0 H SER A 42 -7.871 6.575 3.086 1.00 0.16 H new ATOM 0 HA SER A 42 -6.489 5.900 5.350 1.00 0.19 H new ATOM 0 HB2 SER A 42 -6.976 4.214 2.854 1.00 0.30 H new ATOM 0 HB3 SER A 42 -6.845 3.637 4.504 1.00 0.30 H new ATOM 0 HG SER A 42 -8.885 4.087 4.825 1.00 0.71 H new ATOM 615 N MET A 43 -4.869 5.761 2.501 1.00 0.18 N ATOM 616 CA MET A 43 -3.625 5.497 1.845 1.00 0.21 C ATOM 617 C MET A 43 -2.541 6.353 2.410 1.00 0.18 C ATOM 618 O MET A 43 -1.439 5.914 2.548 1.00 0.21 O ATOM 619 CB MET A 43 -3.734 5.742 0.357 1.00 0.28 C ATOM 620 CG MET A 43 -2.649 5.051 -0.402 1.00 0.39 C ATOM 621 SD MET A 43 -2.786 3.281 -0.177 1.00 0.42 S ATOM 622 CE MET A 43 -4.404 3.008 -0.890 1.00 0.34 C ATOM 0 H MET A 43 -5.599 6.105 1.877 1.00 0.18 H new ATOM 0 HA MET A 43 -3.380 4.448 2.013 1.00 0.21 H new ATOM 0 HB2 MET A 43 -4.704 5.394 0.002 1.00 0.28 H new ATOM 0 HB3 MET A 43 -3.689 6.813 0.161 1.00 0.28 H new ATOM 0 HG2 MET A 43 -2.719 5.299 -1.461 1.00 0.39 H new ATOM 0 HG3 MET A 43 -1.674 5.396 -0.057 1.00 0.39 H new ATOM 0 HE1 MET A 43 -4.653 1.948 -0.833 1.00 0.34 H new ATOM 0 HE2 MET A 43 -5.147 3.585 -0.339 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.400 3.324 -1.933 1.00 0.34 H new ATOM 632 N VAL A 44 -2.892 7.555 2.792 1.00 0.19 N ATOM 633 CA VAL A 44 -1.935 8.480 3.331 1.00 0.22 C ATOM 634 C VAL A 44 -1.371 7.947 4.667 1.00 0.20 C ATOM 635 O VAL A 44 -0.156 7.947 4.892 1.00 0.35 O ATOM 636 CB VAL A 44 -2.547 9.895 3.486 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.506 10.889 3.985 1.00 0.45 C ATOM 638 CG2 VAL A 44 -3.141 10.363 2.152 1.00 0.49 C ATOM 0 H VAL A 44 -3.844 7.916 2.738 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.106 8.570 2.629 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.344 9.844 4.227 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -1.962 11.874 4.085 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -1.128 10.564 4.954 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -0.682 10.941 3.273 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -3.568 11.358 2.273 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -2.357 10.394 1.396 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -3.921 9.669 1.838 1.00 0.49 H new ATOM 648 N GLU A 45 -2.245 7.432 5.516 1.00 0.13 N ATOM 649 CA GLU A 45 -1.811 6.880 6.776 1.00 0.14 C ATOM 650 C GLU A 45 -1.217 5.496 6.577 1.00 0.16 C ATOM 651 O GLU A 45 -0.286 5.116 7.292 1.00 0.25 O ATOM 652 CB GLU A 45 -2.941 6.849 7.775 1.00 0.20 C ATOM 653 CG GLU A 45 -3.483 8.213 8.115 1.00 0.31 C ATOM 654 CD GLU A 45 -4.570 8.147 9.135 1.00 1.00 C ATOM 655 OE1 GLU A 45 -4.269 7.891 10.318 1.00 1.07 O ATOM 656 OE2 GLU A 45 -5.743 8.381 8.789 1.00 1.85 O ATOM 0 H GLU A 45 -3.251 7.387 5.352 1.00 0.13 H new ATOM 0 HA GLU A 45 -1.033 7.528 7.180 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.749 6.235 7.378 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.594 6.367 8.689 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -2.674 8.841 8.488 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -3.864 8.687 7.210 1.00 0.31 H new ATOM 663 N VAL A 46 -1.749 4.749 5.586 1.00 0.15 N ATOM 664 CA VAL A 46 -1.203 3.441 5.214 1.00 0.20 C ATOM 665 C VAL A 46 0.248 3.634 4.759 1.00 0.24 C ATOM 666 O VAL A 46 1.110 2.851 5.084 1.00 0.30 O ATOM 667 CB VAL A 46 -2.051 2.714 4.084 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.429 1.391 3.678 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.472 2.441 4.550 1.00 0.22 C ATOM 0 H VAL A 46 -2.557 5.036 5.033 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.250 2.791 6.088 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.061 3.391 3.230 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.038 0.925 2.904 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.424 1.564 3.294 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.377 0.732 4.545 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.026 1.943 3.755 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.449 1.801 5.432 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -3.961 3.383 4.798 1.00 0.22 H new ATOM 679 N VAL A 47 0.484 4.735 4.066 1.00 0.30 N ATOM 680 CA VAL A 47 1.794 5.166 3.607 1.00 0.51 C ATOM 681 C VAL A 47 2.718 5.345 4.774 1.00 0.37 C ATOM 682 O VAL A 47 3.679 4.619 4.878 1.00 0.31 O ATOM 683 CB VAL A 47 1.662 6.479 2.750 1.00 0.91 C ATOM 684 CG1 VAL A 47 2.909 7.350 2.797 1.00 1.49 C ATOM 685 CG2 VAL A 47 1.359 6.115 1.303 1.00 0.96 C ATOM 0 H VAL A 47 -0.261 5.378 3.797 1.00 0.30 H new ATOM 0 HA VAL A 47 2.225 4.398 2.965 1.00 0.51 H new ATOM 0 HB VAL A 47 0.847 7.059 3.184 1.00 0.91 H new ATOM 0 HG11 VAL A 47 2.755 8.240 2.186 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.107 7.647 3.827 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.760 6.788 2.411 1.00 1.49 H new ATOM 0 HG21 VAL A 47 1.268 7.025 0.710 1.00 0.96 H new ATOM 0 HG22 VAL A 47 2.168 5.502 0.905 1.00 0.96 H new ATOM 0 HG23 VAL A 47 0.424 5.556 1.256 1.00 0.96 H new ATOM 695 N VAL A 48 2.401 6.262 5.671 1.00 0.39 N ATOM 696 CA VAL A 48 3.261 6.552 6.817 1.00 0.39 C ATOM 697 C VAL A 48 3.523 5.306 7.665 1.00 0.30 C ATOM 698 O VAL A 48 4.597 5.153 8.259 1.00 0.37 O ATOM 699 CB VAL A 48 2.706 7.728 7.664 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.574 8.022 8.884 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.625 8.950 6.789 1.00 0.76 C ATOM 0 H VAL A 48 1.551 6.824 5.632 1.00 0.39 H new ATOM 0 HA VAL A 48 4.226 6.870 6.423 1.00 0.39 H new ATOM 0 HB VAL A 48 1.720 7.449 8.034 1.00 0.48 H new ATOM 0 HG11 VAL A 48 3.145 8.852 9.444 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.618 7.138 9.521 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.581 8.285 8.559 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.236 9.787 7.369 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.619 9.197 6.416 1.00 0.76 H new ATOM 0 HG23 VAL A 48 1.961 8.752 5.948 1.00 0.76 H new ATOM 711 N ALA A 49 2.592 4.381 7.626 1.00 0.20 N ATOM 712 CA ALA A 49 2.742 3.135 8.340 1.00 0.19 C ATOM 713 C ALA A 49 3.662 2.192 7.548 1.00 0.18 C ATOM 714 O ALA A 49 4.602 1.608 8.090 1.00 0.25 O ATOM 715 CB ALA A 49 1.383 2.506 8.584 1.00 0.22 C ATOM 0 H ALA A 49 1.719 4.469 7.105 1.00 0.20 H new ATOM 0 HA ALA A 49 3.201 3.324 9.311 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.508 1.567 9.123 1.00 0.22 H new ATOM 0 HB2 ALA A 49 0.769 3.185 9.176 1.00 0.22 H new ATOM 0 HB3 ALA A 49 0.894 2.314 7.629 1.00 0.22 H new ATOM 721 N ALA A 50 3.420 2.105 6.249 1.00 0.15 N ATOM 722 CA ALA A 50 4.198 1.269 5.344 1.00 0.18 C ATOM 723 C ALA A 50 5.637 1.751 5.250 1.00 0.18 C ATOM 724 O ALA A 50 6.560 0.949 5.177 1.00 0.20 O ATOM 725 CB ALA A 50 3.569 1.233 3.961 1.00 0.21 C ATOM 0 H ALA A 50 2.669 2.618 5.787 1.00 0.15 H new ATOM 0 HA ALA A 50 4.200 0.259 5.753 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.169 0.602 3.305 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.560 0.827 4.031 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.527 2.243 3.554 1.00 0.21 H new ATOM 731 N GLU A 51 5.830 3.062 5.279 1.00 0.20 N ATOM 732 CA GLU A 51 7.150 3.646 5.217 1.00 0.23 C ATOM 733 C GLU A 51 7.927 3.217 6.421 1.00 0.24 C ATOM 734 O GLU A 51 9.081 2.844 6.328 1.00 0.29 O ATOM 735 CB GLU A 51 7.097 5.160 5.239 1.00 0.23 C ATOM 736 CG GLU A 51 6.279 5.825 4.163 1.00 0.29 C ATOM 737 CD GLU A 51 6.319 7.321 4.335 1.00 0.36 C ATOM 738 OE1 GLU A 51 5.804 7.827 5.329 1.00 0.59 O ATOM 739 OE2 GLU A 51 6.814 8.024 3.434 1.00 0.73 O ATOM 0 H GLU A 51 5.074 3.744 5.346 1.00 0.20 H new ATOM 0 HA GLU A 51 7.613 3.314 4.288 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.704 5.472 6.207 1.00 0.23 H new ATOM 0 HB3 GLU A 51 8.118 5.537 5.172 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.666 5.553 3.181 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.248 5.473 4.208 1.00 0.29 H new ATOM 746 N GLU A 52 7.232 3.192 7.524 1.00 0.24 N ATOM 747 CA GLU A 52 7.817 2.924 8.806 1.00 0.30 C ATOM 748 C GLU A 52 8.204 1.458 8.930 1.00 0.28 C ATOM 749 O GLU A 52 9.302 1.118 9.353 1.00 0.41 O ATOM 750 CB GLU A 52 6.813 3.304 9.897 1.00 0.41 C ATOM 751 CG GLU A 52 7.344 3.186 11.300 1.00 1.14 C ATOM 752 CD GLU A 52 8.566 4.027 11.493 1.00 1.75 C ATOM 753 OE1 GLU A 52 8.441 5.260 11.638 1.00 2.26 O ATOM 754 OE2 GLU A 52 9.673 3.471 11.537 1.00 2.46 O ATOM 0 H GLU A 52 6.227 3.360 7.557 1.00 0.24 H new ATOM 0 HA GLU A 52 8.725 3.517 8.918 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.486 4.330 9.731 1.00 0.41 H new ATOM 0 HB3 GLU A 52 5.932 2.669 9.800 1.00 0.41 H new ATOM 0 HG2 GLU A 52 6.574 3.491 12.009 1.00 1.14 H new ATOM 0 HG3 GLU A 52 7.580 2.144 11.515 1.00 1.14 H new ATOM 761 N ARG A 53 7.315 0.608 8.517 1.00 0.21 N ATOM 762 CA ARG A 53 7.496 -0.803 8.692 1.00 0.23 C ATOM 763 C ARG A 53 8.374 -1.423 7.609 1.00 0.23 C ATOM 764 O ARG A 53 9.065 -2.417 7.848 1.00 0.32 O ATOM 765 CB ARG A 53 6.144 -1.478 8.747 1.00 0.25 C ATOM 766 CG ARG A 53 5.356 -1.422 7.466 1.00 0.23 C ATOM 767 CD ARG A 53 4.009 -2.059 7.622 1.00 0.34 C ATOM 768 NE ARG A 53 4.096 -3.470 8.007 1.00 0.86 N ATOM 769 CZ ARG A 53 3.186 -4.116 8.740 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.322 -3.436 9.504 1.00 1.08 N ATOM 771 NH2 ARG A 53 3.200 -5.449 8.784 1.00 1.72 N ATOM 0 H ARG A 53 6.446 0.870 8.051 1.00 0.21 H new ATOM 0 HA ARG A 53 8.023 -0.959 9.634 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.287 -2.523 9.024 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.555 -1.016 9.539 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.235 -0.384 7.157 1.00 0.23 H new ATOM 0 HG3 ARG A 53 5.909 -1.928 6.675 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.439 -1.515 8.375 1.00 0.34 H new ATOM 0 HD3 ARG A 53 3.460 -1.975 6.684 1.00 0.34 H new ATOM 0 HE ARG A 53 4.911 -3.997 7.692 1.00 0.86 H new ATOM 0 HH11 ARG A 53 2.356 -2.417 9.529 1.00 1.08 H new ATOM 0 HH12 ARG A 53 1.630 -3.937 10.061 1.00 1.08 H new ATOM 0 HH21 ARG A 53 3.903 -5.969 8.259 1.00 1.72 H new ATOM 0 HH22 ARG A 53 2.507 -5.948 9.342 1.00 1.72 H new ATOM 785 N PHE A 54 8.349 -0.843 6.430 1.00 0.17 N ATOM 786 CA PHE A 54 9.087 -1.381 5.315 1.00 0.19 C ATOM 787 C PHE A 54 10.394 -0.648 5.070 1.00 0.20 C ATOM 788 O PHE A 54 11.239 -1.133 4.330 1.00 0.28 O ATOM 789 CB PHE A 54 8.220 -1.425 4.046 1.00 0.19 C ATOM 790 CG PHE A 54 7.042 -2.366 4.118 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.229 -3.719 4.318 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.750 -1.891 3.984 1.00 0.27 C ATOM 793 CE1 PHE A 54 6.154 -4.579 4.380 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.671 -2.745 4.046 1.00 0.32 C ATOM 795 CZ PHE A 54 4.878 -4.096 4.258 1.00 0.34 C ATOM 0 H PHE A 54 7.822 0.005 6.221 1.00 0.17 H new ATOM 0 HA PHE A 54 9.353 -2.405 5.579 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.852 -0.420 3.839 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.848 -1.715 3.203 1.00 0.19 H new ATOM 0 HD1 PHE A 54 8.230 -4.108 4.427 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.585 -0.835 3.828 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.318 -5.637 4.525 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.668 -2.361 3.930 1.00 0.32 H new ATOM 0 HZ PHE A 54 4.036 -4.768 4.327 1.00 0.34 H new ATOM 805 N ASP A 55 10.536 0.550 5.665 1.00 0.19 N ATOM 806 CA ASP A 55 11.761 1.414 5.547 1.00 0.26 C ATOM 807 C ASP A 55 11.994 1.826 4.067 1.00 0.29 C ATOM 808 O ASP A 55 13.035 2.347 3.684 1.00 0.47 O ATOM 809 CB ASP A 55 13.005 0.681 6.132 1.00 0.36 C ATOM 810 CG ASP A 55 14.229 1.569 6.314 1.00 0.93 C ATOM 811 OD1 ASP A 55 14.381 2.186 7.383 1.00 1.06 O ATOM 812 OD2 ASP A 55 15.045 1.706 5.368 1.00 1.56 O ATOM 0 H ASP A 55 9.809 0.963 6.249 1.00 0.19 H new ATOM 0 HA ASP A 55 11.605 2.323 6.128 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.737 0.250 7.096 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.267 -0.147 5.474 1.00 0.36 H new ATOM 817 N VAL A 56 10.985 1.613 3.260 1.00 0.22 N ATOM 818 CA VAL A 56 11.062 1.883 1.843 1.00 0.29 C ATOM 819 C VAL A 56 10.648 3.319 1.556 1.00 0.25 C ATOM 820 O VAL A 56 11.250 3.995 0.718 1.00 0.34 O ATOM 821 CB VAL A 56 10.190 0.873 1.026 1.00 0.42 C ATOM 822 CG1 VAL A 56 8.729 0.913 1.436 1.00 0.93 C ATOM 823 CG2 VAL A 56 10.329 1.107 -0.458 1.00 1.16 C ATOM 0 H VAL A 56 10.084 1.246 3.566 1.00 0.22 H new ATOM 0 HA VAL A 56 12.097 1.753 1.526 1.00 0.29 H new ATOM 0 HB VAL A 56 10.567 -0.123 1.257 1.00 0.42 H new ATOM 0 HG11 VAL A 56 8.164 0.195 0.841 1.00 0.93 H new ATOM 0 HG12 VAL A 56 8.640 0.659 2.492 1.00 0.93 H new ATOM 0 HG13 VAL A 56 8.332 1.914 1.269 1.00 0.93 H new ATOM 0 HG21 VAL A 56 9.711 0.390 -0.999 1.00 1.16 H new ATOM 0 HG22 VAL A 56 10.005 2.119 -0.699 1.00 1.16 H new ATOM 0 HG23 VAL A 56 11.372 0.981 -0.750 1.00 1.16 H new ATOM 833 N LYS A 57 9.647 3.768 2.297 1.00 0.20 N ATOM 834 CA LYS A 57 9.086 5.116 2.178 1.00 0.23 C ATOM 835 C LYS A 57 8.506 5.446 0.788 1.00 0.22 C ATOM 836 O LYS A 57 9.230 5.791 -0.156 1.00 0.31 O ATOM 837 CB LYS A 57 10.079 6.189 2.674 1.00 0.33 C ATOM 838 CG LYS A 57 9.669 7.638 2.409 1.00 0.72 C ATOM 839 CD LYS A 57 10.508 8.606 3.220 1.00 1.20 C ATOM 840 CE LYS A 57 10.103 8.607 4.696 1.00 1.08 C ATOM 841 NZ LYS A 57 8.793 9.262 4.919 1.00 1.48 N ATOM 0 H LYS A 57 9.190 3.201 3.011 1.00 0.20 H new ATOM 0 HA LYS A 57 8.221 5.131 2.842 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.220 6.060 3.747 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.045 6.011 2.202 1.00 0.33 H new ATOM 0 HG2 LYS A 57 9.778 7.860 1.347 1.00 0.72 H new ATOM 0 HG3 LYS A 57 8.616 7.771 2.656 1.00 0.72 H new ATOM 0 HD2 LYS A 57 11.561 8.338 3.132 1.00 1.20 H new ATOM 0 HD3 LYS A 57 10.400 9.611 2.812 1.00 1.20 H new ATOM 0 HE2 LYS A 57 10.060 7.580 5.059 1.00 1.08 H new ATOM 0 HE3 LYS A 57 10.867 9.120 5.280 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 8.402 8.955 5.832 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 8.918 10.294 4.926 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 8.138 8.997 4.156 1.00 1.48 H new ATOM 855 N ILE A 58 7.203 5.299 0.666 1.00 0.18 N ATOM 856 CA ILE A 58 6.501 5.709 -0.535 1.00 0.20 C ATOM 857 C ILE A 58 5.571 6.778 -0.115 1.00 0.22 C ATOM 858 O ILE A 58 4.626 6.483 0.579 1.00 0.34 O ATOM 859 CB ILE A 58 5.572 4.634 -1.128 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.234 3.289 -1.167 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.112 5.059 -2.541 1.00 0.28 C ATOM 862 CD1 ILE A 58 5.247 2.205 -1.405 1.00 0.52 C ATOM 0 H ILE A 58 6.605 4.896 1.388 1.00 0.18 H new ATOM 0 HA ILE A 58 7.260 5.970 -1.272 1.00 0.20 H new ATOM 0 HB ILE A 58 4.700 4.545 -0.480 1.00 0.22 H new ATOM 0 HG12 ILE A 58 6.988 3.276 -1.954 1.00 0.25 H new ATOM 0 HG13 ILE A 58 6.753 3.110 -0.225 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.455 4.294 -2.955 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.574 6.005 -2.479 1.00 0.28 H new ATOM 0 HG23 ILE A 58 5.982 5.178 -3.186 1.00 0.28 H new ATOM 0 HD11 ILE A 58 5.761 1.244 -1.427 1.00 0.52 H new ATOM 0 HD12 ILE A 58 4.508 2.203 -0.604 1.00 0.52 H new ATOM 0 HD13 ILE A 58 4.747 2.371 -2.359 1.00 0.52 H new ATOM 874 N PRO A 59 5.832 8.011 -0.450 1.00 0.23 N ATOM 875 CA PRO A 59 4.888 9.079 -0.181 1.00 0.25 C ATOM 876 C PRO A 59 3.610 8.824 -0.980 1.00 0.19 C ATOM 877 O PRO A 59 3.675 8.248 -2.078 1.00 0.19 O ATOM 878 CB PRO A 59 5.596 10.334 -0.699 1.00 0.34 C ATOM 879 CG PRO A 59 6.693 9.840 -1.579 1.00 0.41 C ATOM 880 CD PRO A 59 7.055 8.470 -1.104 1.00 0.34 C ATOM 0 HA PRO A 59 4.610 9.163 0.870 1.00 0.25 H new ATOM 0 HB2 PRO A 59 4.907 10.973 -1.252 1.00 0.34 H new ATOM 0 HB3 PRO A 59 5.991 10.929 0.124 1.00 0.34 H new ATOM 0 HG2 PRO A 59 6.370 9.814 -2.620 1.00 0.41 H new ATOM 0 HG3 PRO A 59 7.555 10.505 -1.530 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.339 7.819 -1.931 1.00 0.34 H new ATOM 0 HD3 PRO A 59 7.897 8.493 -0.413 1.00 0.34 H new ATOM 888 N ASP A 60 2.461 9.238 -0.468 1.00 0.21 N ATOM 889 CA ASP A 60 1.184 9.013 -1.171 1.00 0.26 C ATOM 890 C ASP A 60 1.151 9.740 -2.525 1.00 0.25 C ATOM 891 O ASP A 60 0.360 9.418 -3.403 1.00 0.35 O ATOM 892 CB ASP A 60 -0.059 9.361 -0.315 1.00 0.36 C ATOM 893 CG ASP A 60 -0.302 10.840 -0.136 1.00 0.65 C ATOM 894 OD1 ASP A 60 0.374 11.461 0.704 1.00 0.88 O ATOM 895 OD2 ASP A 60 -1.166 11.404 -0.838 1.00 0.95 O ATOM 0 H ASP A 60 2.375 9.728 0.422 1.00 0.21 H new ATOM 0 HA ASP A 60 1.131 7.941 -1.358 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.939 8.914 -0.777 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.052 8.902 0.668 1.00 0.36 H new ATOM 900 N ASP A 61 2.057 10.668 -2.699 1.00 0.22 N ATOM 901 CA ASP A 61 2.203 11.384 -3.954 1.00 0.26 C ATOM 902 C ASP A 61 2.879 10.494 -4.991 1.00 0.27 C ATOM 903 O ASP A 61 2.594 10.568 -6.163 1.00 0.33 O ATOM 904 CB ASP A 61 2.991 12.675 -3.739 1.00 0.36 C ATOM 905 CG ASP A 61 3.092 13.532 -4.978 1.00 0.75 C ATOM 906 OD1 ASP A 61 2.101 14.223 -5.312 1.00 0.81 O ATOM 907 OD2 ASP A 61 4.162 13.580 -5.607 1.00 1.16 O ATOM 0 H ASP A 61 2.719 10.954 -1.977 1.00 0.22 H new ATOM 0 HA ASP A 61 1.214 11.651 -4.328 1.00 0.26 H new ATOM 0 HB2 ASP A 61 2.517 13.252 -2.945 1.00 0.36 H new ATOM 0 HB3 ASP A 61 3.995 12.426 -3.396 1.00 0.36 H new ATOM 912 N ASP A 62 3.732 9.621 -4.534 1.00 0.25 N ATOM 913 CA ASP A 62 4.422 8.657 -5.423 1.00 0.28 C ATOM 914 C ASP A 62 3.546 7.446 -5.575 1.00 0.26 C ATOM 915 O ASP A 62 3.475 6.823 -6.641 1.00 0.36 O ATOM 916 CB ASP A 62 5.811 8.236 -4.881 1.00 0.33 C ATOM 917 CG ASP A 62 6.906 9.282 -5.063 1.00 0.89 C ATOM 918 OD1 ASP A 62 6.722 10.451 -4.651 1.00 1.58 O ATOM 919 OD2 ASP A 62 7.975 8.957 -5.614 1.00 1.58 O ATOM 0 H ASP A 62 3.984 9.537 -3.549 1.00 0.25 H new ATOM 0 HA ASP A 62 4.594 9.141 -6.384 1.00 0.28 H new ATOM 0 HB2 ASP A 62 5.718 8.007 -3.819 1.00 0.33 H new ATOM 0 HB3 ASP A 62 6.118 7.317 -5.380 1.00 0.33 H new ATOM 924 N VAL A 63 2.813 7.177 -4.500 1.00 0.21 N ATOM 925 CA VAL A 63 1.884 6.064 -4.365 1.00 0.25 C ATOM 926 C VAL A 63 0.798 6.096 -5.436 1.00 0.24 C ATOM 927 O VAL A 63 0.188 5.088 -5.730 1.00 0.26 O ATOM 928 CB VAL A 63 1.268 5.985 -2.924 1.00 0.40 C ATOM 929 CG1 VAL A 63 -0.203 6.411 -2.851 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.476 4.624 -2.315 1.00 0.73 C ATOM 0 H VAL A 63 2.853 7.756 -3.661 1.00 0.21 H new ATOM 0 HA VAL A 63 2.462 5.153 -4.518 1.00 0.25 H new ATOM 0 HB VAL A 63 1.814 6.718 -2.330 1.00 0.40 H new ATOM 0 HG11 VAL A 63 -0.555 6.328 -1.823 1.00 0.51 H new ATOM 0 HG12 VAL A 63 -0.300 7.444 -3.186 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.801 5.764 -3.492 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.038 4.601 -1.317 1.00 0.73 H new ATOM 0 HG22 VAL A 63 0.997 3.869 -2.939 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.544 4.415 -2.248 1.00 0.73 H new ATOM 940 N LYS A 64 0.566 7.276 -6.016 1.00 0.29 N ATOM 941 CA LYS A 64 -0.444 7.434 -7.052 1.00 0.37 C ATOM 942 C LYS A 64 -0.147 6.549 -8.258 1.00 0.34 C ATOM 943 O LYS A 64 -1.046 6.133 -8.985 1.00 0.42 O ATOM 944 CB LYS A 64 -0.576 8.890 -7.518 1.00 0.51 C ATOM 945 CG LYS A 64 0.655 9.453 -8.186 1.00 0.58 C ATOM 946 CD LYS A 64 0.407 10.833 -8.764 1.00 0.72 C ATOM 947 CE LYS A 64 0.092 11.881 -7.709 1.00 0.61 C ATOM 948 NZ LYS A 64 -0.150 13.201 -8.322 1.00 0.87 N ATOM 0 H LYS A 64 1.067 8.133 -5.782 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.388 7.128 -6.602 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.414 8.960 -8.212 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -0.822 9.512 -6.657 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.469 9.504 -7.463 1.00 0.58 H new ATOM 0 HG3 LYS A 64 0.976 8.780 -8.981 1.00 0.58 H new ATOM 0 HD2 LYS A 64 1.286 11.147 -9.326 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -0.421 10.779 -9.471 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -0.786 11.575 -7.140 1.00 0.61 H new ATOM 0 HE3 LYS A 64 0.920 11.951 -7.004 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 -0.362 13.896 -7.578 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 0.697 13.502 -8.845 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -0.956 13.137 -8.976 1.00 0.87 H new ATOM 962 N ASN A 65 1.125 6.265 -8.444 1.00 0.30 N ATOM 963 CA ASN A 65 1.581 5.432 -9.552 1.00 0.36 C ATOM 964 C ASN A 65 1.452 3.975 -9.183 1.00 0.34 C ATOM 965 O ASN A 65 1.637 3.092 -10.010 1.00 0.56 O ATOM 966 CB ASN A 65 3.049 5.732 -9.907 1.00 0.49 C ATOM 967 CG ASN A 65 3.281 7.167 -10.311 1.00 0.64 C ATOM 968 OD1 ASN A 65 3.125 7.529 -11.481 1.00 1.09 O ATOM 969 ND2 ASN A 65 3.696 7.988 -9.366 1.00 0.67 N ATOM 0 H ASN A 65 1.874 6.600 -7.838 1.00 0.30 H new ATOM 0 HA ASN A 65 0.959 5.656 -10.418 1.00 0.36 H new ATOM 0 HB2 ASN A 65 3.679 5.496 -9.049 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.360 5.077 -10.721 1.00 0.49 H new ATOM 0 HD21 ASN A 65 3.901 8.962 -9.590 1.00 0.67 H new ATOM 0 HD22 ASN A 65 3.812 7.649 -8.411 1.00 0.67 H new ATOM 976 N LEU A 66 1.091 3.735 -7.945 1.00 0.22 N ATOM 977 CA LEU A 66 1.020 2.401 -7.402 1.00 0.23 C ATOM 978 C LEU A 66 -0.401 2.033 -7.132 1.00 0.37 C ATOM 979 O LEU A 66 -0.657 1.311 -6.212 1.00 0.89 O ATOM 980 CB LEU A 66 1.753 2.312 -6.085 1.00 0.25 C ATOM 981 CG LEU A 66 3.206 2.768 -6.036 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.711 2.700 -4.627 1.00 0.41 C ATOM 983 CD2 LEU A 66 4.083 1.932 -6.918 1.00 0.31 C ATOM 0 H LEU A 66 0.836 4.467 -7.281 1.00 0.22 H new ATOM 0 HA LEU A 66 1.471 1.731 -8.134 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.196 2.898 -5.354 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.719 1.274 -5.755 1.00 0.25 H new ATOM 0 HG LEU A 66 3.242 3.795 -6.400 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.750 3.027 -4.597 1.00 0.41 H new ATOM 0 HD12 LEU A 66 3.108 3.349 -3.993 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.643 1.674 -4.265 1.00 0.41 H new ATOM 0 HD21 LEU A 66 5.110 2.290 -6.854 1.00 0.31 H new ATOM 0 HD22 LEU A 66 4.040 0.892 -6.593 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.737 2.005 -7.949 1.00 0.31 H new ATOM 995 N LYS A 67 -1.293 2.543 -7.950 1.00 0.26 N ATOM 996 CA LYS A 67 -2.763 2.290 -7.911 1.00 0.30 C ATOM 997 C LYS A 67 -3.191 0.839 -7.507 1.00 0.36 C ATOM 998 O LYS A 67 -4.327 0.622 -7.063 1.00 0.72 O ATOM 999 CB LYS A 67 -3.343 2.604 -9.274 1.00 0.45 C ATOM 1000 CG LYS A 67 -2.662 1.829 -10.401 1.00 1.06 C ATOM 1001 CD LYS A 67 -3.377 2.009 -11.724 1.00 1.55 C ATOM 1002 CE LYS A 67 -3.295 3.444 -12.206 1.00 1.97 C ATOM 1003 NZ LYS A 67 -4.109 3.679 -13.410 1.00 2.81 N ATOM 0 H LYS A 67 -1.029 3.177 -8.704 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.150 2.937 -7.124 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.408 2.373 -9.272 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -3.249 3.673 -9.466 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -1.629 2.163 -10.498 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -2.632 0.770 -10.146 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -2.937 1.347 -12.470 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -4.422 1.719 -11.617 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -3.627 4.111 -11.410 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -2.256 3.694 -12.419 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -4.020 4.674 -13.700 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -3.777 3.063 -14.179 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -5.106 3.467 -13.202 1.00 2.81 H new ATOM 1017 N THR A 68 -2.340 -0.135 -7.720 1.00 0.21 N ATOM 1018 CA THR A 68 -2.622 -1.462 -7.302 1.00 0.19 C ATOM 1019 C THR A 68 -1.737 -1.888 -6.163 1.00 0.18 C ATOM 1020 O THR A 68 -0.612 -1.392 -6.019 1.00 0.25 O ATOM 1021 CB THR A 68 -2.477 -2.469 -8.426 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.247 -2.233 -9.148 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.656 -2.449 -9.355 1.00 0.22 C ATOM 0 H THR A 68 -1.440 -0.018 -8.187 1.00 0.21 H new ATOM 0 HA THR A 68 -3.661 -1.447 -6.974 1.00 0.19 H new ATOM 0 HB THR A 68 -2.441 -3.463 -7.980 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.161 -2.889 -9.871 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.509 -3.186 -10.145 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.562 -2.689 -8.798 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.754 -1.458 -9.797 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.204 -2.863 -5.393 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.419 -3.390 -4.290 1.00 0.14 C ATOM 1033 C VAL A 69 -0.081 -3.896 -4.803 1.00 0.16 C ATOM 1034 O VAL A 69 0.971 -3.627 -4.227 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.093 -4.577 -3.612 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.306 -4.929 -2.391 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.532 -4.301 -3.259 1.00 0.15 C ATOM 0 H VAL A 69 -3.117 -3.301 -5.513 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.307 -2.572 -3.578 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.109 -5.414 -4.310 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.772 -5.777 -1.890 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.288 -5.191 -2.678 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.284 -4.075 -1.714 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -3.964 -5.179 -2.779 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.583 -3.452 -2.577 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.092 -4.071 -4.166 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.142 -4.616 -5.886 1.00 0.17 N ATOM 1048 CA GLY A 70 1.006 -5.229 -6.467 1.00 0.20 C ATOM 1049 C GLY A 70 1.950 -4.264 -7.056 1.00 0.16 C ATOM 1050 O GLY A 70 3.099 -4.589 -7.226 1.00 0.17 O ATOM 0 H GLY A 70 -1.008 -4.793 -6.395 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.522 -5.812 -5.704 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.684 -5.928 -7.239 1.00 0.20 H new ATOM 1054 N ASP A 71 1.491 -3.070 -7.350 1.00 0.15 N ATOM 1055 CA ASP A 71 2.370 -2.078 -7.910 1.00 0.16 C ATOM 1056 C ASP A 71 3.164 -1.509 -6.786 1.00 0.14 C ATOM 1057 O ASP A 71 4.387 -1.358 -6.881 1.00 0.15 O ATOM 1058 CB ASP A 71 1.618 -0.966 -8.569 1.00 0.21 C ATOM 1059 CG ASP A 71 2.427 -0.348 -9.692 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.296 0.502 -9.395 1.00 0.46 O ATOM 1061 OD2 ASP A 71 2.193 -0.636 -10.856 1.00 0.62 O ATOM 0 H ASP A 71 0.527 -2.767 -7.212 1.00 0.15 H new ATOM 0 HA ASP A 71 2.996 -2.548 -8.668 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.675 -1.344 -8.962 1.00 0.21 H new ATOM 0 HB3 ASP A 71 1.372 -0.202 -7.831 1.00 0.21 H new ATOM 1066 N ALA A 72 2.455 -1.223 -5.682 1.00 0.15 N ATOM 1067 CA ALA A 72 3.083 -0.778 -4.456 1.00 0.16 C ATOM 1068 C ALA A 72 4.090 -1.808 -4.029 1.00 0.15 C ATOM 1069 O ALA A 72 5.246 -1.507 -3.851 1.00 0.17 O ATOM 1070 CB ALA A 72 2.044 -0.615 -3.379 1.00 0.21 C ATOM 0 H ALA A 72 1.439 -1.297 -5.627 1.00 0.15 H new ATOM 0 HA ALA A 72 3.575 0.181 -4.621 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.523 -0.280 -2.459 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.306 0.123 -3.694 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.549 -1.570 -3.203 1.00 0.21 H new ATOM 1076 N THR A 73 3.639 -3.040 -3.957 1.00 0.14 N ATOM 1077 CA THR A 73 4.452 -4.180 -3.578 1.00 0.16 C ATOM 1078 C THR A 73 5.652 -4.361 -4.534 1.00 0.18 C ATOM 1079 O THR A 73 6.735 -4.743 -4.109 1.00 0.28 O ATOM 1080 CB THR A 73 3.568 -5.449 -3.573 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.462 -5.236 -2.691 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.333 -6.677 -3.112 1.00 0.19 C ATOM 0 H THR A 73 2.671 -3.286 -4.165 1.00 0.14 H new ATOM 0 HA THR A 73 4.856 -4.007 -2.581 1.00 0.16 H new ATOM 0 HB THR A 73 3.231 -5.628 -4.594 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.747 -4.768 -3.170 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.672 -7.544 -3.125 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.175 -6.853 -3.781 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.702 -6.517 -2.099 1.00 0.19 H new ATOM 1090 N LYS A 74 5.454 -4.025 -5.800 1.00 0.15 N ATOM 1091 CA LYS A 74 6.478 -4.171 -6.823 1.00 0.18 C ATOM 1092 C LYS A 74 7.578 -3.165 -6.535 1.00 0.18 C ATOM 1093 O LYS A 74 8.762 -3.489 -6.564 1.00 0.26 O ATOM 1094 CB LYS A 74 5.869 -3.883 -8.206 1.00 0.23 C ATOM 1095 CG LYS A 74 6.526 -4.602 -9.371 1.00 0.39 C ATOM 1096 CD LYS A 74 6.276 -6.113 -9.304 1.00 1.21 C ATOM 1097 CE LYS A 74 4.774 -6.475 -9.372 1.00 1.65 C ATOM 1098 NZ LYS A 74 4.133 -6.092 -10.656 1.00 2.01 N ATOM 0 H LYS A 74 4.575 -3.642 -6.148 1.00 0.15 H new ATOM 0 HA LYS A 74 6.878 -5.185 -6.816 1.00 0.18 H new ATOM 0 HB2 LYS A 74 4.814 -4.154 -8.183 1.00 0.23 H new ATOM 0 HB3 LYS A 74 5.918 -2.810 -8.389 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.138 -4.208 -10.310 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.599 -4.408 -9.363 1.00 0.39 H new ATOM 0 HD2 LYS A 74 6.800 -6.600 -10.126 1.00 1.21 H new ATOM 0 HD3 LYS A 74 6.698 -6.506 -8.379 1.00 1.21 H new ATOM 0 HE2 LYS A 74 4.659 -7.549 -9.223 1.00 1.65 H new ATOM 0 HE3 LYS A 74 4.251 -5.982 -8.552 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 3.129 -6.362 -10.637 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 4.213 -5.064 -10.791 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 4.608 -6.582 -11.441 1.00 2.01 H new ATOM 1112 N TYR A 75 7.150 -1.959 -6.204 1.00 0.15 N ATOM 1113 CA TYR A 75 8.015 -0.867 -5.880 1.00 0.16 C ATOM 1114 C TYR A 75 8.712 -1.131 -4.543 1.00 0.16 C ATOM 1115 O TYR A 75 9.926 -0.976 -4.419 1.00 0.18 O ATOM 1116 CB TYR A 75 7.157 0.405 -5.806 1.00 0.22 C ATOM 1117 CG TYR A 75 7.904 1.652 -5.438 1.00 0.26 C ATOM 1118 CD1 TYR A 75 8.682 2.309 -6.371 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.835 2.174 -4.155 1.00 0.32 C ATOM 1120 CE1 TYR A 75 9.376 3.447 -6.042 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.522 3.307 -3.823 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.293 3.942 -4.760 1.00 0.44 C ATOM 1123 OH TYR A 75 9.992 5.074 -4.408 1.00 0.50 O ATOM 0 H TYR A 75 6.160 -1.718 -6.155 1.00 0.15 H new ATOM 0 HA TYR A 75 8.788 -0.749 -6.639 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.677 0.559 -6.773 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.362 0.247 -5.077 1.00 0.22 H new ATOM 0 HD1 TYR A 75 8.746 1.921 -7.377 1.00 0.49 H new ATOM 0 HD2 TYR A 75 7.231 1.679 -3.409 1.00 0.32 H new ATOM 0 HE1 TYR A 75 9.981 3.949 -6.782 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.457 3.703 -2.820 1.00 0.37 H new ATOM 0 HH TYR A 75 9.820 5.285 -3.467 1.00 0.50 H new ATOM 1133 N ILE A 76 7.928 -1.536 -3.564 1.00 0.16 N ATOM 1134 CA ILE A 76 8.406 -1.816 -2.230 1.00 0.18 C ATOM 1135 C ILE A 76 9.435 -2.918 -2.225 1.00 0.21 C ATOM 1136 O ILE A 76 10.534 -2.689 -1.799 1.00 0.32 O ATOM 1137 CB ILE A 76 7.243 -2.146 -1.246 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.351 -0.924 -1.121 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.788 -2.550 0.131 1.00 0.28 C ATOM 1140 CD1 ILE A 76 5.095 -1.112 -0.306 1.00 0.21 C ATOM 0 H ILE A 76 6.925 -1.681 -3.678 1.00 0.16 H new ATOM 0 HA ILE A 76 8.887 -0.903 -1.878 1.00 0.18 H new ATOM 0 HB ILE A 76 6.669 -2.987 -1.635 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.933 -0.116 -0.677 1.00 0.20 H new ATOM 0 HG13 ILE A 76 6.067 -0.600 -2.122 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.957 -2.775 0.799 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.420 -3.432 0.028 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.375 -1.730 0.545 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.533 -0.178 -0.282 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.482 -1.893 -0.757 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.361 -1.401 0.711 1.00 0.21 H new ATOM 1152 N LEU A 77 9.084 -4.088 -2.746 1.00 0.19 N ATOM 1153 CA LEU A 77 9.960 -5.268 -2.702 1.00 0.23 C ATOM 1154 C LEU A 77 11.310 -4.965 -3.389 1.00 0.29 C ATOM 1155 O LEU A 77 12.371 -5.444 -2.983 1.00 0.34 O ATOM 1156 CB LEU A 77 9.263 -6.457 -3.388 1.00 0.23 C ATOM 1157 CG LEU A 77 9.842 -7.847 -3.096 1.00 0.34 C ATOM 1158 CD1 LEU A 77 8.770 -8.889 -3.323 1.00 0.92 C ATOM 1159 CD2 LEU A 77 11.016 -8.163 -4.004 1.00 0.87 C ATOM 0 H LEU A 77 8.191 -4.252 -3.210 1.00 0.19 H new ATOM 0 HA LEU A 77 10.158 -5.524 -1.661 1.00 0.23 H new ATOM 0 HB2 LEU A 77 8.214 -6.455 -3.093 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.291 -6.294 -4.465 1.00 0.23 H new ATOM 0 HG LEU A 77 10.186 -7.857 -2.062 1.00 0.34 H new ATOM 0 HD11 LEU A 77 9.176 -9.879 -3.117 1.00 0.92 H new ATOM 0 HD12 LEU A 77 7.928 -8.696 -2.658 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.432 -8.844 -4.358 1.00 0.92 H new ATOM 0 HD21 LEU A 77 11.401 -9.155 -3.769 1.00 0.87 H new ATOM 0 HD22 LEU A 77 10.689 -8.137 -5.044 1.00 0.87 H new ATOM 0 HD23 LEU A 77 11.802 -7.424 -3.853 1.00 0.87 H new ATOM 1171 N ASP A 78 11.243 -4.138 -4.403 1.00 0.33 N ATOM 1172 CA ASP A 78 12.403 -3.743 -5.192 1.00 0.41 C ATOM 1173 C ASP A 78 13.273 -2.714 -4.450 1.00 0.45 C ATOM 1174 O ASP A 78 14.504 -2.696 -4.583 1.00 0.53 O ATOM 1175 CB ASP A 78 11.906 -3.156 -6.513 1.00 0.43 C ATOM 1176 CG ASP A 78 12.992 -2.640 -7.417 1.00 0.52 C ATOM 1177 OD1 ASP A 78 13.606 -3.445 -8.142 1.00 0.68 O ATOM 1178 OD2 ASP A 78 13.218 -1.410 -7.448 1.00 0.54 O ATOM 0 H ASP A 78 10.372 -3.709 -4.715 1.00 0.33 H new ATOM 0 HA ASP A 78 13.026 -4.620 -5.371 1.00 0.41 H new ATOM 0 HB2 ASP A 78 11.341 -3.921 -7.046 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.214 -2.342 -6.296 1.00 0.43 H new ATOM 1183 N HIS A 79 12.637 -1.874 -3.664 1.00 0.41 N ATOM 1184 CA HIS A 79 13.327 -0.782 -2.968 1.00 0.47 C ATOM 1185 C HIS A 79 13.647 -1.091 -1.503 1.00 0.52 C ATOM 1186 O HIS A 79 14.445 -0.388 -0.888 1.00 0.74 O ATOM 1187 CB HIS A 79 12.517 0.521 -3.064 1.00 0.47 C ATOM 1188 CG HIS A 79 12.613 1.239 -4.376 1.00 0.52 C ATOM 1189 ND1 HIS A 79 13.227 2.461 -4.527 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.152 0.908 -5.598 1.00 0.53 C ATOM 1191 CE1 HIS A 79 13.140 2.845 -5.779 1.00 0.79 C ATOM 1192 NE2 HIS A 79 12.494 1.918 -6.456 1.00 0.67 N ATOM 0 H HIS A 79 11.634 -1.918 -3.482 1.00 0.41 H new ATOM 0 HA HIS A 79 14.283 -0.663 -3.478 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.469 0.293 -2.869 1.00 0.47 H new ATOM 0 HB3 HIS A 79 12.849 1.195 -2.274 1.00 0.47 H new ATOM 0 HD2 HIS A 79 11.611 0.009 -5.854 1.00 0.53 H new ATOM 0 HE1 HIS A 79 13.532 3.766 -6.186 1.00 0.79 H new ATOM 0 HE2 HIS A 79 12.284 1.948 -7.454 1.00 0.67 H new