USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 91 ASN : amide:sc= -0.0553 K(o=1,f=-1!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0.226 USER MOD Set 1.3: A 94 ASN : amide:sc= 0.836 K(o=1,f=-0.63) USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0.651 USER MOD Set 2.2: A 103 THR OG1 : rot -71:sc= 0.738 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -164:sc= 1.02 (180deg=0) USER MOD Set 3.2: A 24 GLN : amide:sc= 0.881 K(o=1.9,f=-3.1) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.508 USER MOD Set 4.2: A 18 THR OG1 : rot -76:sc= 0.563 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0185 K(o=-0.019,f=-0.71) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 165:sc= -0.309 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 129:sc= 0.967 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0.538 (180deg=0.514) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0581) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0.93 (180deg=0.896) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0613 K(o=-0.061,f=-1.3!) USER MOD Single : A 45 MET CE :methyl -129:sc= -0.151 (180deg=-0.681) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0.961 (180deg=0.901) USER MOD Single : A 64 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.27) USER MOD Single : A 65 SER OG : rot -32:sc= 0.687 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0.928 (180deg=0.923) USER MOD Single : A 82 ASN : amide:sc= -0.0733 K(o=-0.073,f=-1.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 67:sc= 1.45 USER MOD Single : A 107 GLN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.439 9.064 1.375 1.00 0.00 N ATOM 61 CA LYS A 5 12.199 8.968 2.141 1.00 0.00 C ATOM 62 C LYS A 5 10.999 9.077 1.186 1.00 0.00 C ATOM 63 O LYS A 5 10.946 9.978 0.334 1.00 0.00 O ATOM 64 CB LYS A 5 12.136 10.055 3.215 1.00 0.00 C ATOM 65 CG LYS A 5 10.904 9.987 4.107 1.00 0.00 C ATOM 66 CD LYS A 5 10.964 11.029 5.214 1.00 0.00 C ATOM 67 CE LYS A 5 11.893 10.593 6.337 1.00 0.00 C ATOM 68 NZ LYS A 5 11.781 11.479 7.527 1.00 0.00 N ATOM 0 HA LYS A 5 12.168 8.003 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.026 9.983 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.165 11.031 2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.008 10.143 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.824 8.992 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.307 11.979 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.963 11.197 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.659 9.568 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.922 10.596 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.599 11.327 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.760 12.472 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.906 11.258 8.043 1.00 0.00 H new ATOM 82 N VAL A 6 10.056 8.143 1.324 1.00 0.00 N ATOM 83 CA VAL A 6 8.710 8.248 0.732 1.00 0.00 C ATOM 84 C VAL A 6 7.686 8.125 1.865 1.00 0.00 C ATOM 85 O VAL A 6 7.889 7.359 2.810 1.00 0.00 O ATOM 86 CB VAL A 6 8.447 7.164 -0.330 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.632 7.044 -1.276 1.00 0.00 C ATOM 88 CG2 VAL A 6 8.159 5.826 0.333 1.00 0.00 C ATOM 0 H VAL A 6 10.201 7.283 1.853 1.00 0.00 H new ATOM 0 HA VAL A 6 8.627 9.209 0.225 1.00 0.00 H new ATOM 0 HB VAL A 6 7.572 7.457 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.428 6.273 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.795 7.998 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.524 6.775 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.976 5.072 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.015 5.528 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.279 5.917 0.970 1.00 0.00 H new ATOM 98 N GLU A 7 6.595 8.896 1.782 1.00 0.00 N ATOM 99 CA GLU A 7 5.506 8.816 2.756 1.00 0.00 C ATOM 100 C GLU A 7 4.339 8.096 2.079 1.00 0.00 C ATOM 101 O GLU A 7 3.924 8.429 0.965 1.00 0.00 O ATOM 102 CB GLU A 7 5.086 10.203 3.245 1.00 0.00 C ATOM 103 CG GLU A 7 6.135 10.918 4.086 1.00 0.00 C ATOM 104 CD GLU A 7 5.611 12.220 4.621 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.496 12.563 4.310 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.280 12.819 5.430 1.00 0.00 O ATOM 0 H GLU A 7 6.445 9.585 1.045 1.00 0.00 H new ATOM 0 HA GLU A 7 5.834 8.267 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.847 10.823 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.172 10.107 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.438 10.278 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.024 11.102 3.483 1.00 0.00 H new ATOM 113 N VAL A 8 3.847 7.079 2.774 1.00 0.00 N ATOM 114 CA VAL A 8 2.812 6.171 2.299 1.00 0.00 C ATOM 115 C VAL A 8 1.583 6.310 3.204 1.00 0.00 C ATOM 116 O VAL A 8 1.683 6.126 4.415 1.00 0.00 O ATOM 117 CB VAL A 8 3.288 4.705 2.286 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.161 3.784 1.845 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.493 4.546 1.372 1.00 0.00 C ATOM 0 H VAL A 8 4.169 6.856 3.716 1.00 0.00 H new ATOM 0 HA VAL A 8 2.566 6.439 1.272 1.00 0.00 H new ATOM 0 HB VAL A 8 3.583 4.429 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.514 2.753 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.323 3.878 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.837 4.060 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.817 3.505 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.222 4.840 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.306 5.179 1.728 1.00 0.00 H new ATOM 129 N GLN A 9 0.438 6.675 2.611 1.00 0.00 N ATOM 130 CA GLN A 9 -0.837 6.784 3.327 1.00 0.00 C ATOM 131 C GLN A 9 -1.698 5.569 2.973 1.00 0.00 C ATOM 132 O GLN A 9 -2.009 5.344 1.803 1.00 0.00 O ATOM 133 CB GLN A 9 -1.569 8.078 2.967 1.00 0.00 C ATOM 134 CG GLN A 9 -2.871 8.289 3.721 1.00 0.00 C ATOM 135 CD GLN A 9 -3.517 9.624 3.403 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.947 10.448 2.681 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.709 9.848 3.942 1.00 0.00 N ATOM 0 H GLN A 9 0.372 6.903 1.619 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.644 6.809 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.908 8.922 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.778 8.078 1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.565 7.485 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.681 8.227 4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.143 9.139 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.191 10.729 3.766 1.00 0.00 H new ATOM 146 N VAL A 10 -2.066 4.790 3.992 1.00 0.00 N ATOM 147 CA VAL A 10 -2.901 3.593 3.828 1.00 0.00 C ATOM 148 C VAL A 10 -4.260 3.854 4.481 1.00 0.00 C ATOM 149 O VAL A 10 -4.340 4.143 5.677 1.00 0.00 O ATOM 150 CB VAL A 10 -2.258 2.341 4.451 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.176 1.137 4.294 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.906 2.063 3.814 1.00 0.00 C ATOM 0 H VAL A 10 -1.794 4.970 4.958 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.012 3.398 2.761 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.107 2.525 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.706 0.260 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.124 1.335 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.356 0.953 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.466 1.174 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.035 1.899 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.246 2.916 3.974 1.00 0.00 H new ATOM 162 N LYS A 11 -5.313 3.777 3.659 1.00 0.00 N ATOM 163 CA LYS A 11 -6.690 4.043 4.074 1.00 0.00 C ATOM 164 C LYS A 11 -7.539 2.786 3.825 1.00 0.00 C ATOM 165 O LYS A 11 -7.725 2.384 2.677 1.00 0.00 O ATOM 166 CB LYS A 11 -7.268 5.243 3.323 1.00 0.00 C ATOM 167 CG LYS A 11 -8.699 5.597 3.709 1.00 0.00 C ATOM 168 CD LYS A 11 -9.224 6.758 2.878 1.00 0.00 C ATOM 169 CE LYS A 11 -10.618 7.173 3.325 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.154 8.295 2.506 1.00 0.00 N ATOM 0 H LYS A 11 -5.229 3.525 2.674 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.703 4.287 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.631 6.109 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.233 5.038 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.341 4.727 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.739 5.857 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.545 7.606 2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.247 6.474 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.291 6.319 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.589 7.470 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.105 8.547 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.526 9.119 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.206 8.003 1.509 1.00 0.00 H new ATOM 184 N ILE A 12 -8.038 2.165 4.899 1.00 0.00 N ATOM 185 CA ILE A 12 -8.784 0.895 4.821 1.00 0.00 C ATOM 186 C ILE A 12 -10.162 1.046 5.498 1.00 0.00 C ATOM 187 O ILE A 12 -10.269 1.586 6.600 1.00 0.00 O ATOM 188 CB ILE A 12 -8.014 -0.262 5.482 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.834 -1.554 5.420 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.666 0.084 6.922 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.056 -2.790 5.810 1.00 0.00 C ATOM 0 H ILE A 12 -7.939 2.525 5.848 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.913 0.658 3.765 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.085 -0.418 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.698 -1.457 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.217 -1.682 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.122 -0.745 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.045 0.979 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.582 0.266 7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.703 -3.664 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.207 -2.913 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.695 -2.685 6.833 1.00 0.00 H new ATOM 203 N THR A 13 -11.226 0.601 4.809 1.00 0.00 N ATOM 204 CA THR A 13 -12.593 0.638 5.346 1.00 0.00 C ATOM 205 C THR A 13 -13.066 -0.800 5.658 1.00 0.00 C ATOM 206 O THR A 13 -12.997 -1.684 4.798 1.00 0.00 O ATOM 207 CB THR A 13 -13.577 1.304 4.366 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.175 2.659 4.131 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.988 1.289 4.935 1.00 0.00 C ATOM 0 H THR A 13 -11.162 0.208 3.870 1.00 0.00 H new ATOM 0 HA THR A 13 -12.577 1.235 6.258 1.00 0.00 H new ATOM 0 HB THR A 13 -13.568 0.747 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.800 3.082 3.506 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.670 1.764 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.301 0.259 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.006 1.834 5.879 1.00 0.00 H new ATOM 217 N CYS A 14 -13.522 -1.001 6.906 1.00 0.00 N ATOM 218 CA CYS A 14 -14.081 -2.272 7.398 1.00 0.00 C ATOM 219 C CYS A 14 -15.235 -1.971 8.375 1.00 0.00 C ATOM 220 O CYS A 14 -15.173 -0.971 9.108 1.00 0.00 O ATOM 221 CB CYS A 14 -12.968 -3.094 8.086 1.00 0.00 C ATOM 222 SG CYS A 14 -13.534 -4.450 9.176 1.00 0.00 S ATOM 0 H CYS A 14 -13.512 -0.269 7.616 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.473 -2.859 6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.326 -3.518 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.352 -2.414 8.674 1.00 0.00 H new ATOM 227 N ASN A 15 -16.286 -2.830 8.350 1.00 0.00 N ATOM 228 CA ASN A 15 -17.461 -2.758 9.250 1.00 0.00 C ATOM 229 C ASN A 15 -18.301 -1.503 8.919 1.00 0.00 C ATOM 230 O ASN A 15 -19.304 -1.581 8.190 1.00 0.00 O ATOM 231 CB ASN A 15 -17.052 -2.755 10.713 1.00 0.00 C ATOM 232 CG ASN A 15 -18.212 -2.655 11.665 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.348 -3.009 11.330 1.00 0.00 O ATOM 234 ND2 ASN A 15 -17.948 -2.099 12.819 1.00 0.00 N ATOM 0 H ASN A 15 -16.339 -3.606 7.690 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.066 -3.650 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.495 -3.667 10.927 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.375 -1.919 10.890 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -18.698 -1.939 13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.992 -1.825 13.046 1.00 0.00 H new ATOM 241 N GLY A 16 -17.846 -0.358 9.424 1.00 0.00 N ATOM 242 CA GLY A 16 -18.506 0.931 9.221 1.00 0.00 C ATOM 243 C GLY A 16 -17.589 2.084 9.590 1.00 0.00 C ATOM 244 O GLY A 16 -18.006 3.246 9.560 1.00 0.00 O ATOM 0 H GLY A 16 -17.000 -0.298 9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.812 1.026 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.413 0.977 9.824 1.00 0.00 H new ATOM 248 N LYS A 17 -16.325 1.754 9.933 1.00 0.00 N ATOM 249 CA LYS A 17 -15.295 2.726 10.338 1.00 0.00 C ATOM 250 C LYS A 17 -14.079 2.639 9.406 1.00 0.00 C ATOM 251 O LYS A 17 -13.569 1.549 9.139 1.00 0.00 O ATOM 252 CB LYS A 17 -14.869 2.494 11.787 1.00 0.00 C ATOM 253 CG LYS A 17 -13.930 3.555 12.345 1.00 0.00 C ATOM 254 CD LYS A 17 -13.752 3.401 13.849 1.00 0.00 C ATOM 255 CE LYS A 17 -12.782 4.436 14.400 1.00 0.00 C ATOM 256 NZ LYS A 17 -12.724 4.407 15.887 1.00 0.00 N ATOM 0 H LYS A 17 -15.990 0.791 9.935 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.723 3.726 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.761 2.450 12.412 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.382 1.522 11.858 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.960 3.481 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.325 4.546 12.123 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.718 3.505 14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.385 2.400 14.073 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.787 4.253 13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.084 5.429 14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.052 5.127 16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.668 4.607 16.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.411 3.467 16.204 1.00 0.00 H new ATOM 270 N THR A 18 -13.615 3.806 8.951 1.00 0.00 N ATOM 271 CA THR A 18 -12.465 3.944 8.051 1.00 0.00 C ATOM 272 C THR A 18 -11.205 4.259 8.887 1.00 0.00 C ATOM 273 O THR A 18 -11.215 5.176 9.716 1.00 0.00 O ATOM 274 CB THR A 18 -12.684 5.051 7.002 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.804 4.713 6.173 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.447 5.216 6.133 1.00 0.00 C ATOM 0 H THR A 18 -14.036 4.700 9.203 1.00 0.00 H new ATOM 0 HA THR A 18 -12.340 3.004 7.513 1.00 0.00 H new ATOM 0 HB THR A 18 -12.878 5.989 7.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.539 4.022 5.531 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.621 6.002 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.596 5.486 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.236 4.279 5.618 1.00 0.00 H new ATOM 284 N TYR A 19 -10.136 3.474 8.675 1.00 0.00 N ATOM 285 CA TYR A 19 -8.868 3.606 9.417 1.00 0.00 C ATOM 286 C TYR A 19 -7.777 4.022 8.425 1.00 0.00 C ATOM 287 O TYR A 19 -7.531 3.330 7.432 1.00 0.00 O ATOM 288 CB TYR A 19 -8.489 2.299 10.118 1.00 0.00 C ATOM 289 CG TYR A 19 -9.574 1.751 11.018 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.554 0.905 10.520 1.00 0.00 C ATOM 291 CD2 TYR A 19 -9.614 2.080 12.365 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.548 0.402 11.338 1.00 0.00 C ATOM 293 CE2 TYR A 19 -10.602 1.582 13.192 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.568 0.744 12.675 1.00 0.00 C ATOM 295 OH TYR A 19 -12.554 0.244 13.495 1.00 0.00 O ATOM 0 H TYR A 19 -10.125 2.726 7.981 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.980 4.361 10.195 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.244 1.551 9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.588 2.463 10.709 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.540 0.635 9.474 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.860 2.736 12.774 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.304 -0.254 10.934 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.618 1.848 14.239 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.299 0.376 14.432 1.00 0.00 H new ATOM 305 N GLU A 20 -7.155 5.174 8.683 1.00 0.00 N ATOM 306 CA GLU A 20 -6.103 5.732 7.825 1.00 0.00 C ATOM 307 C GLU A 20 -4.937 6.250 8.666 1.00 0.00 C ATOM 308 O GLU A 20 -5.136 6.783 9.765 1.00 0.00 O ATOM 309 CB GLU A 20 -6.659 6.856 6.947 1.00 0.00 C ATOM 310 CG GLU A 20 -7.155 8.068 7.720 1.00 0.00 C ATOM 311 CD GLU A 20 -7.649 9.144 6.791 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.634 8.928 5.603 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.146 10.134 7.272 1.00 0.00 O ATOM 0 H GLU A 20 -7.367 5.751 9.497 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.738 4.934 7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.883 7.176 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.480 6.461 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.958 7.769 8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.349 8.461 8.340 1.00 0.00 H new ATOM 320 N ARG A 21 -3.728 6.060 8.144 1.00 0.00 N ATOM 321 CA ARG A 21 -2.494 6.534 8.771 1.00 0.00 C ATOM 322 C ARG A 21 -1.429 6.719 7.690 1.00 0.00 C ATOM 323 O ARG A 21 -1.344 5.915 6.753 1.00 0.00 O ATOM 324 CB ARG A 21 -2.018 5.628 9.896 1.00 0.00 C ATOM 325 CG ARG A 21 -0.872 6.186 10.726 1.00 0.00 C ATOM 326 CD ARG A 21 -0.555 5.394 11.942 1.00 0.00 C ATOM 327 NE ARG A 21 0.563 5.906 12.719 1.00 0.00 N ATOM 328 CZ ARG A 21 0.764 5.655 14.027 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.090 4.932 14.717 1.00 0.00 N ATOM 330 NH2 ARG A 21 1.833 6.175 14.606 1.00 0.00 N ATOM 0 H ARG A 21 -3.574 5.567 7.264 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.694 7.494 9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.859 5.422 10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.707 4.675 9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.019 6.243 10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.118 7.205 11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.439 5.360 12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.336 4.368 11.646 1.00 0.00 H new ATOM 0 HE ARG A 21 1.243 6.497 12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.920 4.551 14.263 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.078 4.752 15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.479 6.749 14.063 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.012 6.003 15.595 1.00 0.00 H new ATOM 344 N THR A 22 -0.637 7.783 7.815 1.00 0.00 N ATOM 345 CA THR A 22 0.483 8.054 6.922 1.00 0.00 C ATOM 346 C THR A 22 1.783 7.607 7.627 1.00 0.00 C ATOM 347 O THR A 22 1.979 7.886 8.817 1.00 0.00 O ATOM 348 CB THR A 22 0.572 9.544 6.542 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.621 9.935 5.849 1.00 0.00 O ATOM 350 CG2 THR A 22 1.779 9.796 5.651 1.00 0.00 C ATOM 0 H THR A 22 -0.757 8.485 8.545 1.00 0.00 H new ATOM 0 HA THR A 22 0.335 7.499 5.995 1.00 0.00 H new ATOM 0 HB THR A 22 0.679 10.131 7.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.564 10.884 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.826 10.854 5.392 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.688 9.511 6.181 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.689 9.204 4.740 1.00 0.00 H new ATOM 358 N TYR A 23 2.642 6.874 6.895 1.00 0.00 N ATOM 359 CA TYR A 23 3.889 6.292 7.429 1.00 0.00 C ATOM 360 C TYR A 23 5.077 6.862 6.646 1.00 0.00 C ATOM 361 O TYR A 23 4.957 7.119 5.448 1.00 0.00 O ATOM 362 CB TYR A 23 3.870 4.765 7.343 1.00 0.00 C ATOM 363 CG TYR A 23 2.670 4.127 8.005 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.465 4.001 7.328 1.00 0.00 C ATOM 365 CD2 TYR A 23 2.745 3.650 9.306 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.365 3.421 7.929 1.00 0.00 C ATOM 367 CE2 TYR A 23 1.652 3.067 9.916 1.00 0.00 C ATOM 368 CZ TYR A 23 0.463 2.953 9.224 1.00 0.00 C ATOM 369 OH TYR A 23 -0.628 2.372 9.827 1.00 0.00 O ATOM 0 H TYR A 23 2.490 6.667 5.908 1.00 0.00 H new ATOM 0 HA TYR A 23 3.982 6.555 8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.893 4.470 6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.777 4.374 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.386 4.363 6.313 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.674 3.736 9.850 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.566 3.334 7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.727 2.702 10.930 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.371 1.504 10.202 1.00 0.00 H new ATOM 379 N GLN A 24 6.223 7.041 7.316 1.00 0.00 N ATOM 380 CA GLN A 24 7.459 7.492 6.655 1.00 0.00 C ATOM 381 C GLN A 24 8.371 6.270 6.471 1.00 0.00 C ATOM 382 O GLN A 24 8.743 5.608 7.446 1.00 0.00 O ATOM 383 CB GLN A 24 8.170 8.573 7.473 1.00 0.00 C ATOM 384 CG GLN A 24 7.349 9.833 7.688 1.00 0.00 C ATOM 385 CD GLN A 24 8.092 10.877 8.501 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.290 10.742 8.763 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.383 11.923 8.907 1.00 0.00 N ATOM 0 H GLN A 24 6.322 6.880 8.318 1.00 0.00 H new ATOM 0 HA GLN A 24 7.214 7.935 5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.440 8.159 8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.100 8.840 6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.077 10.256 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.419 9.575 8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.394 11.993 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.827 12.657 9.459 1.00 0.00 H new ATOM 396 N LEU A 25 8.709 5.974 5.210 1.00 0.00 N ATOM 397 CA LEU A 25 9.561 4.839 4.840 1.00 0.00 C ATOM 398 C LEU A 25 10.867 5.366 4.235 1.00 0.00 C ATOM 399 O LEU A 25 10.852 6.059 3.215 1.00 0.00 O ATOM 400 CB LEU A 25 8.811 3.908 3.833 1.00 0.00 C ATOM 401 CG LEU A 25 7.434 3.328 4.309 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.832 2.366 3.270 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.546 2.647 5.689 1.00 0.00 C ATOM 0 H LEU A 25 8.395 6.522 4.410 1.00 0.00 H new ATOM 0 HA LEU A 25 9.796 4.250 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.646 4.465 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.467 3.073 3.587 1.00 0.00 H new ATOM 0 HG LEU A 25 6.755 4.174 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.879 1.985 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.674 2.897 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.516 1.534 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.571 2.258 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.262 1.827 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.884 3.374 6.427 1.00 0.00 H new ATOM 415 N TYR A 26 11.990 5.088 4.914 1.00 0.00 N ATOM 416 CA TYR A 26 13.328 5.487 4.452 1.00 0.00 C ATOM 417 C TYR A 26 14.120 4.233 4.084 1.00 0.00 C ATOM 418 O TYR A 26 14.467 3.439 4.962 1.00 0.00 O ATOM 419 CB TYR A 26 14.068 6.291 5.525 1.00 0.00 C ATOM 420 CG TYR A 26 15.313 6.985 5.020 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.235 8.214 4.379 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.565 6.411 5.187 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.369 8.852 3.916 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.706 7.041 4.729 1.00 0.00 C ATOM 425 CZ TYR A 26 17.604 8.261 4.093 1.00 0.00 C ATOM 426 OH TYR A 26 18.737 8.893 3.635 1.00 0.00 O ATOM 0 H TYR A 26 11.996 4.580 5.799 1.00 0.00 H new ATOM 0 HA TYR A 26 13.224 6.128 3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.390 7.038 5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.342 5.623 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.270 8.679 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.649 5.456 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.290 9.807 3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.673 6.581 4.868 1.00 0.00 H new ATOM 0 HH TYR A 26 19.523 8.345 3.840 1.00 0.00 H new ATOM 436 N ALA A 27 14.421 4.083 2.795 1.00 0.00 N ATOM 437 CA ALA A 27 14.992 2.851 2.234 1.00 0.00 C ATOM 438 C ALA A 27 16.004 3.201 1.144 1.00 0.00 C ATOM 439 O ALA A 27 15.915 4.264 0.521 1.00 0.00 O ATOM 440 CB ALA A 27 13.880 1.956 1.677 1.00 0.00 C ATOM 0 H ALA A 27 14.276 4.817 2.102 1.00 0.00 H new ATOM 0 HA ALA A 27 15.505 2.302 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.317 1.047 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.188 1.695 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.343 2.489 0.892 1.00 0.00 H new ATOM 446 N VAL A 28 16.985 2.311 0.943 1.00 0.00 N ATOM 447 CA VAL A 28 18.057 2.508 -0.049 1.00 0.00 C ATOM 448 C VAL A 28 17.653 1.834 -1.377 1.00 0.00 C ATOM 449 O VAL A 28 17.650 2.467 -2.438 1.00 0.00 O ATOM 450 CB VAL A 28 19.401 1.934 0.434 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.453 2.046 -0.660 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.867 2.652 1.692 1.00 0.00 C ATOM 0 H VAL A 28 17.060 1.435 1.461 1.00 0.00 H new ATOM 0 HA VAL A 28 18.189 3.580 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 28 19.258 0.880 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.397 1.635 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.126 1.489 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.591 3.094 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.819 2.233 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.992 3.714 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.125 2.524 2.480 1.00 0.00 H new ATOM 462 N ARG A 29 17.297 0.533 -1.298 1.00 0.00 N ATOM 463 CA ARG A 29 16.934 -0.298 -2.471 1.00 0.00 C ATOM 464 C ARG A 29 15.393 -0.390 -2.581 1.00 0.00 C ATOM 465 O ARG A 29 14.685 -0.310 -1.570 1.00 0.00 O ATOM 466 CB ARG A 29 17.584 -1.673 -2.441 1.00 0.00 C ATOM 467 CG ARG A 29 19.098 -1.668 -2.591 1.00 0.00 C ATOM 468 CD ARG A 29 19.753 -2.953 -2.236 1.00 0.00 C ATOM 469 NE ARG A 29 19.645 -3.315 -0.832 1.00 0.00 N ATOM 470 CZ ARG A 29 19.935 -4.532 -0.330 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.313 -5.515 -1.117 1.00 0.00 N ATOM 472 NH2 ARG A 29 19.806 -4.718 0.971 1.00 0.00 N ATOM 0 H ARG A 29 17.253 0.025 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 29 17.325 0.189 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.328 -2.160 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.156 -2.279 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.348 -1.419 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.511 -0.878 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.315 -3.749 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.808 -2.895 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 29 19.327 -2.597 -0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.390 -5.362 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.529 -6.430 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.494 -3.951 1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.018 -5.628 1.380 1.00 0.00 H new ATOM 486 N ASP A 30 14.901 -0.619 -3.809 1.00 0.00 N ATOM 487 CA ASP A 30 13.456 -0.766 -4.104 1.00 0.00 C ATOM 488 C ASP A 30 12.846 -1.960 -3.320 1.00 0.00 C ATOM 489 O ASP A 30 11.724 -1.875 -2.806 1.00 0.00 O ATOM 490 CB ASP A 30 13.233 -0.952 -5.608 1.00 0.00 C ATOM 491 CG ASP A 30 13.439 0.309 -6.436 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.526 1.367 -5.858 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.666 0.191 -7.615 1.00 0.00 O ATOM 0 H ASP A 30 15.494 -0.709 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 30 12.953 0.146 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.911 -1.725 -5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.219 -1.317 -5.770 1.00 0.00 H new ATOM 498 N GLU A 31 13.629 -3.053 -3.229 1.00 0.00 N ATOM 499 CA GLU A 31 13.267 -4.285 -2.498 1.00 0.00 C ATOM 500 C GLU A 31 13.141 -4.036 -0.979 1.00 0.00 C ATOM 501 O GLU A 31 12.305 -4.652 -0.317 1.00 0.00 O ATOM 502 CB GLU A 31 14.302 -5.382 -2.761 1.00 0.00 C ATOM 503 CG GLU A 31 14.268 -5.952 -4.172 1.00 0.00 C ATOM 504 CD GLU A 31 15.348 -6.977 -4.374 1.00 0.00 C ATOM 505 OE1 GLU A 31 16.120 -7.185 -3.468 1.00 0.00 O ATOM 506 OE2 GLU A 31 15.335 -7.633 -5.388 1.00 0.00 O ATOM 0 H GLU A 31 14.548 -3.106 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 31 12.293 -4.608 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.297 -4.980 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.143 -6.193 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.294 -6.405 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.389 -5.146 -4.895 1.00 0.00 H new ATOM 513 N GLU A 32 13.970 -3.121 -0.447 1.00 0.00 N ATOM 514 CA GLU A 32 13.925 -2.711 0.969 1.00 0.00 C ATOM 515 C GLU A 32 12.614 -1.960 1.287 1.00 0.00 C ATOM 516 O GLU A 32 12.048 -2.107 2.375 1.00 0.00 O ATOM 517 CB GLU A 32 15.131 -1.835 1.314 1.00 0.00 C ATOM 518 CG GLU A 32 16.464 -2.573 1.318 1.00 0.00 C ATOM 519 CD GLU A 32 17.617 -1.616 1.424 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.385 -0.431 1.424 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.721 -2.067 1.617 1.00 0.00 O ATOM 0 H GLU A 32 14.692 -2.644 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 32 13.960 -3.613 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.186 -1.015 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.973 -1.390 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.492 -3.273 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.559 -3.161 0.405 1.00 0.00 H new ATOM 528 N LEU A 33 12.140 -1.159 0.311 1.00 0.00 N ATOM 529 CA LEU A 33 10.845 -0.444 0.387 1.00 0.00 C ATOM 530 C LEU A 33 9.660 -1.451 0.308 1.00 0.00 C ATOM 531 O LEU A 33 8.679 -1.304 1.034 1.00 0.00 O ATOM 532 CB LEU A 33 10.770 0.636 -0.756 1.00 0.00 C ATOM 533 CG LEU A 33 9.917 1.936 -0.478 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.434 1.643 -0.175 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.542 2.797 0.639 1.00 0.00 C ATOM 0 H LEU A 33 12.646 -0.988 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 33 10.769 0.069 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.788 0.946 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.368 0.155 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 33 9.938 2.504 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.908 2.580 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.983 1.132 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.362 1.009 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.928 3.683 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.594 2.216 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.546 3.101 0.345 1.00 0.00 H new ATOM 547 N LYS A 34 9.793 -2.485 -0.563 1.00 0.00 N ATOM 548 CA LYS A 34 8.735 -3.497 -0.793 1.00 0.00 C ATOM 549 C LYS A 34 8.283 -4.156 0.520 1.00 0.00 C ATOM 550 O LYS A 34 7.092 -4.205 0.815 1.00 0.00 O ATOM 551 CB LYS A 34 9.220 -4.569 -1.770 1.00 0.00 C ATOM 552 CG LYS A 34 9.149 -4.162 -3.236 1.00 0.00 C ATOM 553 CD LYS A 34 9.624 -5.286 -4.145 1.00 0.00 C ATOM 554 CE LYS A 34 8.872 -6.579 -3.869 1.00 0.00 C ATOM 555 NZ LYS A 34 9.440 -7.727 -4.628 1.00 0.00 N ATOM 0 H LYS A 34 10.633 -2.638 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 34 7.879 -2.978 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.251 -4.826 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.624 -5.471 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.124 -3.893 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.762 -3.275 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.484 -4.997 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.692 -5.447 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.906 -6.798 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.823 -6.452 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.039 -8.615 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.204 -7.627 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.474 -7.741 -4.514 1.00 0.00 H new ATOM 569 N GLU A 35 9.270 -4.660 1.298 1.00 0.00 N ATOM 570 CA GLU A 35 9.015 -5.351 2.574 1.00 0.00 C ATOM 571 C GLU A 35 8.354 -4.410 3.588 1.00 0.00 C ATOM 572 O GLU A 35 7.509 -4.838 4.358 1.00 0.00 O ATOM 573 CB GLU A 35 10.315 -5.914 3.153 1.00 0.00 C ATOM 574 CG GLU A 35 11.418 -4.881 3.344 1.00 0.00 C ATOM 575 CD GLU A 35 12.654 -5.504 3.930 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.657 -6.694 4.135 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.635 -4.811 4.066 1.00 0.00 O ATOM 0 H GLU A 35 10.259 -4.597 1.056 1.00 0.00 H new ATOM 0 HA GLU A 35 8.332 -6.177 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.099 -6.379 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.681 -6.701 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.659 -4.422 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.064 -4.085 3.999 1.00 0.00 H new ATOM 584 N LYS A 36 8.723 -3.115 3.529 1.00 0.00 N ATOM 585 CA LYS A 36 8.155 -2.059 4.389 1.00 0.00 C ATOM 586 C LYS A 36 6.671 -1.859 4.078 1.00 0.00 C ATOM 587 O LYS A 36 5.867 -1.716 4.990 1.00 0.00 O ATOM 588 CB LYS A 36 8.912 -0.742 4.209 1.00 0.00 C ATOM 589 CG LYS A 36 10.295 -0.720 4.846 1.00 0.00 C ATOM 590 CD LYS A 36 10.942 0.651 4.718 1.00 0.00 C ATOM 591 CE LYS A 36 12.385 0.630 5.199 1.00 0.00 C ATOM 592 NZ LYS A 36 12.487 0.285 6.642 1.00 0.00 N ATOM 0 H LYS A 36 9.429 -2.771 2.878 1.00 0.00 H new ATOM 0 HA LYS A 36 8.259 -2.376 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.013 -0.538 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.317 0.066 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.217 -0.990 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.928 -1.469 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.908 0.975 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.374 1.379 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.952 -0.093 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.839 1.606 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.475 0.381 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.886 0.928 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.172 -0.695 6.788 1.00 0.00 H new ATOM 606 N LEU A 37 6.338 -1.845 2.770 1.00 0.00 N ATOM 607 CA LEU A 37 4.954 -1.730 2.275 1.00 0.00 C ATOM 608 C LEU A 37 4.095 -2.905 2.781 1.00 0.00 C ATOM 609 O LEU A 37 2.958 -2.704 3.198 1.00 0.00 O ATOM 610 CB LEU A 37 4.939 -1.675 0.742 1.00 0.00 C ATOM 611 CG LEU A 37 5.495 -0.383 0.130 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.678 -0.553 -1.372 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.550 0.771 0.431 1.00 0.00 C ATOM 0 H LEU A 37 7.030 -1.914 2.023 1.00 0.00 H new ATOM 0 HA LEU A 37 4.527 -0.804 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.515 -2.517 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.913 -1.808 0.399 1.00 0.00 H new ATOM 0 HG LEU A 37 6.468 -0.163 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.073 0.370 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.375 -1.369 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.717 -0.782 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.946 1.689 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.570 0.560 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.456 0.892 1.510 1.00 0.00 H new ATOM 625 N LYS A 38 4.662 -4.136 2.733 1.00 0.00 N ATOM 626 CA LYS A 38 3.992 -5.361 3.211 1.00 0.00 C ATOM 627 C LYS A 38 3.705 -5.281 4.720 1.00 0.00 C ATOM 628 O LYS A 38 2.611 -5.629 5.155 1.00 0.00 O ATOM 629 CB LYS A 38 4.842 -6.595 2.905 1.00 0.00 C ATOM 630 CG LYS A 38 4.946 -6.935 1.424 1.00 0.00 C ATOM 631 CD LYS A 38 5.980 -8.023 1.177 1.00 0.00 C ATOM 632 CE LYS A 38 5.453 -9.392 1.581 1.00 0.00 C ATOM 633 NZ LYS A 38 6.437 -10.472 1.299 1.00 0.00 N ATOM 0 H LYS A 38 5.597 -4.302 2.361 1.00 0.00 H new ATOM 0 HA LYS A 38 3.042 -5.448 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.845 -6.437 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.422 -7.451 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.974 -7.264 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.215 -6.041 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.254 -8.034 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.887 -7.800 1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.212 -9.389 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.526 -9.597 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.997 -11.397 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.738 -10.417 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.265 -10.358 1.918 1.00 0.00 H new ATOM 647 N LYS A 39 4.711 -4.820 5.508 1.00 0.00 N ATOM 648 CA LYS A 39 4.588 -4.707 6.978 1.00 0.00 C ATOM 649 C LYS A 39 3.461 -3.722 7.329 1.00 0.00 C ATOM 650 O LYS A 39 2.615 -4.032 8.147 1.00 0.00 O ATOM 651 CB LYS A 39 5.905 -4.252 7.608 1.00 0.00 C ATOM 652 CG LYS A 39 7.003 -5.308 7.600 1.00 0.00 C ATOM 653 CD LYS A 39 8.279 -4.785 8.242 1.00 0.00 C ATOM 654 CE LYS A 39 9.390 -5.823 8.195 1.00 0.00 C ATOM 655 NZ LYS A 39 10.648 -5.321 8.813 1.00 0.00 N ATOM 0 H LYS A 39 5.616 -4.521 5.145 1.00 0.00 H new ATOM 0 HA LYS A 39 4.347 -5.691 7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.262 -3.370 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.716 -3.949 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.662 -6.194 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.209 -5.614 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.602 -3.880 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.080 -4.509 9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.066 -6.725 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.581 -6.103 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.379 -6.059 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.972 -4.475 8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.473 -5.078 9.809 1.00 0.00 H new ATOM 669 N VAL A 40 3.470 -2.556 6.651 1.00 0.00 N ATOM 670 CA VAL A 40 2.502 -1.458 6.848 1.00 0.00 C ATOM 671 C VAL A 40 1.059 -1.884 6.484 1.00 0.00 C ATOM 672 O VAL A 40 0.119 -1.609 7.239 1.00 0.00 O ATOM 673 CB VAL A 40 2.883 -0.221 6.014 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.741 0.785 5.999 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.149 0.420 6.560 1.00 0.00 C ATOM 0 H VAL A 40 4.166 -2.347 5.935 1.00 0.00 H new ATOM 0 HA VAL A 40 2.536 -1.207 7.908 1.00 0.00 H new ATOM 0 HB VAL A 40 3.073 -0.542 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.028 1.653 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.855 0.323 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.521 1.100 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.404 1.293 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.985 0.727 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.967 -0.299 6.520 1.00 0.00 H new ATOM 685 N LEU A 41 0.914 -2.558 5.329 1.00 0.00 N ATOM 686 CA LEU A 41 -0.380 -3.073 4.853 1.00 0.00 C ATOM 687 C LEU A 41 -0.933 -4.146 5.802 1.00 0.00 C ATOM 688 O LEU A 41 -2.109 -4.102 6.143 1.00 0.00 O ATOM 689 CB LEU A 41 -0.237 -3.640 3.434 1.00 0.00 C ATOM 690 CG LEU A 41 -0.061 -2.591 2.328 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.323 -3.272 1.021 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.351 -1.801 2.167 1.00 0.00 C ATOM 0 H LEU A 41 1.691 -2.760 4.700 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.087 -2.244 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.619 -4.314 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.119 -4.239 3.208 1.00 0.00 H new ATOM 0 HG LEU A 41 0.739 -1.903 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.446 -2.520 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.260 -3.813 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.462 -3.971 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.226 -1.056 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.162 -2.479 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.591 -1.302 3.106 1.00 0.00 H new ATOM 704 N ASN A 42 -0.067 -5.083 6.247 1.00 0.00 N ATOM 705 CA ASN A 42 -0.452 -6.143 7.209 1.00 0.00 C ATOM 706 C ASN A 42 -0.817 -5.541 8.584 1.00 0.00 C ATOM 707 O ASN A 42 -1.744 -6.015 9.233 1.00 0.00 O ATOM 708 CB ASN A 42 0.647 -7.178 7.366 1.00 0.00 C ATOM 709 CG ASN A 42 0.777 -8.105 6.190 1.00 0.00 C ATOM 710 OD1 ASN A 42 -0.159 -8.274 5.399 1.00 0.00 O ATOM 711 ND2 ASN A 42 1.904 -8.768 6.115 1.00 0.00 N ATOM 0 H ASN A 42 0.909 -5.128 5.954 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.332 -6.641 6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.597 -6.666 7.520 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.453 -7.767 8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.040 -9.461 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.646 -8.591 6.793 1.00 0.00 H new ATOM 718 N GLU A 43 -0.084 -4.488 8.997 1.00 0.00 N ATOM 719 CA GLU A 43 -0.321 -3.773 10.271 1.00 0.00 C ATOM 720 C GLU A 43 -1.752 -3.210 10.328 1.00 0.00 C ATOM 721 O GLU A 43 -2.427 -3.304 11.359 1.00 0.00 O ATOM 722 CB GLU A 43 0.695 -2.644 10.455 1.00 0.00 C ATOM 723 CG GLU A 43 0.684 -2.006 11.837 1.00 0.00 C ATOM 724 CD GLU A 43 -0.344 -0.914 11.926 1.00 0.00 C ATOM 725 OE1 GLU A 43 -0.466 -0.159 10.991 1.00 0.00 O ATOM 726 OE2 GLU A 43 -1.087 -0.902 12.880 1.00 0.00 O ATOM 0 H GLU A 43 0.692 -4.107 8.456 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.199 -4.490 11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.693 -3.034 10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.501 -1.872 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.476 -2.767 12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.670 -1.599 12.060 1.00 0.00 H new ATOM 733 N ARG A 44 -2.200 -2.647 9.192 1.00 0.00 N ATOM 734 CA ARG A 44 -3.555 -2.087 9.059 1.00 0.00 C ATOM 735 C ARG A 44 -4.612 -3.208 9.019 1.00 0.00 C ATOM 736 O ARG A 44 -5.787 -2.956 9.288 1.00 0.00 O ATOM 737 CB ARG A 44 -3.678 -1.159 7.859 1.00 0.00 C ATOM 738 CG ARG A 44 -2.883 0.132 7.966 1.00 0.00 C ATOM 739 CD ARG A 44 -3.429 1.111 8.940 1.00 0.00 C ATOM 740 NE ARG A 44 -3.042 0.867 10.320 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.682 1.369 11.395 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.715 2.170 11.255 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.229 1.054 12.595 1.00 0.00 N ATOM 0 H ARG A 44 -1.636 -2.568 8.346 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.743 -1.479 9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.353 -1.696 6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.730 -0.911 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.858 -0.109 8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.841 0.601 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.100 2.110 8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.517 1.102 8.874 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.229 0.274 10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.044 2.420 10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.188 2.541 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.416 0.446 12.690 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.693 1.419 13.427 1.00 0.00 H new ATOM 757 N MET A 45 -4.172 -4.448 8.715 1.00 0.00 N ATOM 758 CA MET A 45 -5.069 -5.624 8.637 1.00 0.00 C ATOM 759 C MET A 45 -5.172 -6.383 9.969 1.00 0.00 C ATOM 760 O MET A 45 -6.041 -7.251 10.107 1.00 0.00 O ATOM 761 CB MET A 45 -4.589 -6.572 7.539 1.00 0.00 C ATOM 762 CG MET A 45 -4.686 -6.005 6.130 1.00 0.00 C ATOM 763 SD MET A 45 -6.365 -5.511 5.693 1.00 0.00 S ATOM 764 CE MET A 45 -7.187 -7.101 5.659 1.00 0.00 C ATOM 0 H MET A 45 -3.194 -4.662 8.518 1.00 0.00 H new ATOM 0 HA MET A 45 -6.065 -5.250 8.402 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.552 -6.843 7.738 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.173 -7.491 7.589 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.024 -5.144 6.043 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.334 -6.751 5.417 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.731 -7.210 4.720 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.446 -7.896 5.743 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.886 -7.167 6.493 1.00 0.00 H new ATOM 774 N ASP A 46 -4.302 -6.053 10.942 1.00 0.00 N ATOM 775 CA ASP A 46 -4.275 -6.731 12.256 1.00 0.00 C ATOM 776 C ASP A 46 -5.628 -6.555 13.031 1.00 0.00 C ATOM 777 O ASP A 46 -6.204 -7.563 13.459 1.00 0.00 O ATOM 778 CB ASP A 46 -3.110 -6.198 13.095 1.00 0.00 C ATOM 779 CG ASP A 46 -1.739 -6.681 12.644 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.682 -7.583 11.842 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.768 -6.046 12.980 1.00 0.00 O ATOM 0 H ASP A 46 -3.603 -5.316 10.843 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.136 -7.797 12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.126 -5.108 13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.262 -6.492 14.134 1.00 0.00 H new ATOM 786 N PRO A 47 -6.185 -5.295 13.225 1.00 0.00 N ATOM 787 CA PRO A 47 -7.479 -5.109 13.947 1.00 0.00 C ATOM 788 C PRO A 47 -8.707 -5.498 13.084 1.00 0.00 C ATOM 789 O PRO A 47 -9.794 -5.695 13.615 1.00 0.00 O ATOM 790 CB PRO A 47 -7.478 -3.594 14.285 1.00 0.00 C ATOM 791 CG PRO A 47 -6.690 -2.971 13.174 1.00 0.00 C ATOM 792 CD PRO A 47 -5.592 -3.964 12.857 1.00 0.00 C ATOM 0 HA PRO A 47 -7.559 -5.750 14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.491 -3.195 14.327 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.019 -3.403 15.255 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.318 -2.787 12.302 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.275 -2.010 13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.314 -3.929 11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.689 -3.757 13.432 1.00 0.00 H new ATOM 800 N ILE A 48 -8.499 -5.639 11.756 1.00 0.00 N ATOM 801 CA ILE A 48 -9.578 -5.941 10.784 1.00 0.00 C ATOM 802 C ILE A 48 -10.188 -7.329 11.090 1.00 0.00 C ATOM 803 O ILE A 48 -11.385 -7.571 10.855 1.00 0.00 O ATOM 804 CB ILE A 48 -9.069 -5.915 9.331 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.533 -4.526 8.978 1.00 0.00 C ATOM 806 CG2 ILE A 48 -10.178 -6.321 8.372 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.564 -3.427 9.089 1.00 0.00 C ATOM 0 H ILE A 48 -7.579 -5.547 11.326 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.338 -5.166 10.888 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.254 -6.632 9.236 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.695 -4.293 9.635 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.144 -4.545 7.960 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.801 -6.297 7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.515 -7.330 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -11.013 -5.627 8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -9.109 -2.473 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.392 -3.635 8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.936 -3.379 10.112 1.00 0.00 H new ATOM 819 N LYS A 49 -9.343 -8.219 11.646 1.00 0.00 N ATOM 820 CA LYS A 49 -9.716 -9.598 11.990 1.00 0.00 C ATOM 821 C LYS A 49 -10.659 -9.610 13.206 1.00 0.00 C ATOM 822 O LYS A 49 -11.666 -10.319 13.210 1.00 0.00 O ATOM 823 CB LYS A 49 -8.472 -10.439 12.273 1.00 0.00 C ATOM 824 CG LYS A 49 -7.606 -10.713 11.049 1.00 0.00 C ATOM 825 CD LYS A 49 -6.336 -11.462 11.426 1.00 0.00 C ATOM 826 CE LYS A 49 -5.464 -11.723 10.207 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.216 -12.451 10.562 1.00 0.00 N ATOM 0 H LYS A 49 -8.373 -7.995 11.870 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.239 -10.035 11.139 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.868 -9.931 13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.782 -11.391 12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.173 -11.296 10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.345 -9.771 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.775 -10.884 12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.597 -12.409 11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.027 -12.303 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.209 -10.775 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.650 -12.609 9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.666 -11.886 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.458 -13.367 10.990 1.00 0.00 H new ATOM 841 N LYS A 50 -10.321 -8.788 14.223 1.00 0.00 N ATOM 842 CA LYS A 50 -11.190 -8.541 15.396 1.00 0.00 C ATOM 843 C LYS A 50 -12.534 -7.917 14.931 1.00 0.00 C ATOM 844 O LYS A 50 -13.595 -8.210 15.493 1.00 0.00 O ATOM 845 CB LYS A 50 -10.493 -7.626 16.404 1.00 0.00 C ATOM 846 CG LYS A 50 -11.334 -7.284 17.628 1.00 0.00 C ATOM 847 CD LYS A 50 -10.546 -6.446 18.623 1.00 0.00 C ATOM 848 CE LYS A 50 -10.232 -5.067 18.061 1.00 0.00 C ATOM 849 NZ LYS A 50 -9.491 -4.224 19.038 1.00 0.00 N ATOM 0 H LYS A 50 -9.439 -8.277 14.255 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.392 -9.492 15.890 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.571 -8.104 16.734 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.210 -6.701 15.902 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.227 -6.741 17.318 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.671 -8.202 18.109 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.116 -6.343 19.546 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.617 -6.957 18.877 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.641 -5.172 17.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.161 -4.569 17.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.297 -3.293 18.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.065 -4.102 19.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.593 -4.687 19.285 1.00 0.00 H new ATOM 863 N LEU A 51 -12.473 -7.077 13.880 1.00 0.00 N ATOM 864 CA LEU A 51 -13.675 -6.426 13.316 1.00 0.00 C ATOM 865 C LEU A 51 -14.486 -7.450 12.502 1.00 0.00 C ATOM 866 O LEU A 51 -15.697 -7.294 12.315 1.00 0.00 O ATOM 867 CB LEU A 51 -13.282 -5.228 12.441 1.00 0.00 C ATOM 868 CG LEU A 51 -12.608 -4.070 13.185 1.00 0.00 C ATOM 869 CD1 LEU A 51 -12.145 -3.010 12.194 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.581 -3.476 14.194 1.00 0.00 C ATOM 0 H LEU A 51 -11.605 -6.832 13.403 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.293 -6.056 14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.609 -5.576 11.657 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.177 -4.850 11.947 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.734 -4.443 13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.668 -2.192 12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.432 -3.450 11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.004 -2.628 11.642 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.100 -2.653 14.722 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.464 -3.106 13.673 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.876 -4.243 14.910 1.00 0.00 H new ATOM 882 N GLY A 52 -13.779 -8.492 12.029 1.00 0.00 N ATOM 883 CA GLY A 52 -14.399 -9.658 11.424 1.00 0.00 C ATOM 884 C GLY A 52 -14.912 -9.402 10.028 1.00 0.00 C ATOM 885 O GLY A 52 -15.987 -9.888 9.650 1.00 0.00 O ATOM 0 H GLY A 52 -12.761 -8.538 12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.675 -10.472 11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.225 -9.989 12.053 1.00 0.00 H new ATOM 889 N CYS A 53 -14.152 -8.608 9.264 1.00 0.00 N ATOM 890 CA CYS A 53 -14.491 -8.295 7.876 1.00 0.00 C ATOM 891 C CYS A 53 -14.009 -9.423 6.952 1.00 0.00 C ATOM 892 O CYS A 53 -12.847 -9.845 7.028 1.00 0.00 O ATOM 893 CB CYS A 53 -13.897 -6.940 7.460 1.00 0.00 C ATOM 894 SG CYS A 53 -14.853 -5.525 8.082 1.00 0.00 S ATOM 0 H CYS A 53 -13.291 -8.169 9.590 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.575 -8.217 7.787 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.873 -6.870 7.828 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.849 -6.889 6.372 1.00 0.00 H new ATOM 899 N LYS A 54 -14.938 -9.909 6.103 1.00 0.00 N ATOM 900 CA LYS A 54 -14.667 -10.913 5.054 1.00 0.00 C ATOM 901 C LYS A 54 -14.047 -10.277 3.786 1.00 0.00 C ATOM 902 O LYS A 54 -13.398 -10.965 2.993 1.00 0.00 O ATOM 903 CB LYS A 54 -15.952 -11.658 4.689 1.00 0.00 C ATOM 904 CG LYS A 54 -16.496 -12.552 5.796 1.00 0.00 C ATOM 905 CD LYS A 54 -17.797 -13.220 5.377 1.00 0.00 C ATOM 906 CE LYS A 54 -18.320 -14.146 6.466 1.00 0.00 C ATOM 907 NZ LYS A 54 -19.574 -14.835 6.056 1.00 0.00 N ATOM 0 H LYS A 54 -15.913 -9.610 6.128 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.940 -11.617 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.716 -10.929 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.766 -12.267 3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.758 -13.314 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.662 -11.960 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.544 -12.458 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.638 -13.787 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.560 -14.889 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.502 -13.571 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.897 -15.456 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.308 -14.127 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.395 -15.404 5.204 1.00 0.00 H new ATOM 921 N ARG A 55 -14.279 -8.969 3.614 1.00 0.00 N ATOM 922 CA ARG A 55 -13.796 -8.201 2.465 1.00 0.00 C ATOM 923 C ARG A 55 -13.611 -6.729 2.881 1.00 0.00 C ATOM 924 O ARG A 55 -14.456 -6.167 3.585 1.00 0.00 O ATOM 925 CB ARG A 55 -14.694 -8.344 1.244 1.00 0.00 C ATOM 926 CG ARG A 55 -14.137 -7.736 -0.033 1.00 0.00 C ATOM 927 CD ARG A 55 -14.946 -8.018 -1.247 1.00 0.00 C ATOM 928 NE ARG A 55 -14.521 -7.297 -2.436 1.00 0.00 N ATOM 929 CZ ARG A 55 -14.850 -7.637 -3.697 1.00 0.00 C ATOM 930 NH1 ARG A 55 -15.577 -8.705 -3.942 1.00 0.00 N ATOM 931 NH2 ARG A 55 -14.404 -6.881 -4.685 1.00 0.00 N ATOM 0 H ARG A 55 -14.814 -8.410 4.279 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.832 -8.607 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.884 -9.404 1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.656 -7.879 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.060 -6.656 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.126 -8.111 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.908 -9.088 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.987 -7.770 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.931 -6.475 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.900 -9.290 -3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.818 -8.949 -4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.827 -6.065 -4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.637 -7.114 -5.650 1.00 0.00 H new ATOM 945 N VAL A 56 -12.485 -6.136 2.458 1.00 0.00 N ATOM 946 CA VAL A 56 -12.090 -4.758 2.806 1.00 0.00 C ATOM 947 C VAL A 56 -11.606 -4.019 1.548 1.00 0.00 C ATOM 948 O VAL A 56 -11.178 -4.651 0.572 1.00 0.00 O ATOM 949 CB VAL A 56 -10.982 -4.729 3.873 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.475 -5.353 5.171 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.741 -5.454 3.374 1.00 0.00 C ATOM 0 H VAL A 56 -11.810 -6.606 1.854 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.968 -4.261 3.219 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.720 -3.689 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.678 -5.324 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.336 -4.794 5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.765 -6.388 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.968 -5.423 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.990 -6.492 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.374 -4.967 2.470 1.00 0.00 H new ATOM 961 N ARG A 57 -11.697 -2.684 1.580 1.00 0.00 N ATOM 962 CA ARG A 57 -11.184 -1.815 0.515 1.00 0.00 C ATOM 963 C ARG A 57 -10.019 -0.997 1.080 1.00 0.00 C ATOM 964 O ARG A 57 -10.170 -0.344 2.117 1.00 0.00 O ATOM 965 CB ARG A 57 -12.258 -0.935 -0.107 1.00 0.00 C ATOM 966 CG ARG A 57 -11.757 0.031 -1.169 1.00 0.00 C ATOM 967 CD ARG A 57 -12.833 0.679 -1.962 1.00 0.00 C ATOM 968 NE ARG A 57 -13.617 -0.237 -2.775 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.728 0.106 -3.458 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.208 1.328 -3.399 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.335 -0.827 -4.170 1.00 0.00 N ATOM 0 H ARG A 57 -12.131 -2.174 2.350 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.831 -2.438 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.021 -1.575 -0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.742 -0.363 0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.160 0.805 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.094 -0.505 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.502 1.205 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.385 1.430 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.305 -1.206 -2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.739 2.033 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.049 1.571 -3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.961 -1.776 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.178 -0.599 -4.698 1.00 0.00 H new ATOM 985 N ILE A 58 -8.854 -1.069 0.419 1.00 0.00 N ATOM 986 CA ILE A 58 -7.616 -0.434 0.895 1.00 0.00 C ATOM 987 C ILE A 58 -7.097 0.506 -0.206 1.00 0.00 C ATOM 988 O ILE A 58 -6.872 0.067 -1.323 1.00 0.00 O ATOM 989 CB ILE A 58 -6.531 -1.467 1.254 1.00 0.00 C ATOM 990 CG1 ILE A 58 -7.050 -2.439 2.316 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.270 -0.767 1.739 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.154 -3.636 2.538 1.00 0.00 C ATOM 0 H ILE A 58 -8.744 -1.570 -0.462 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.842 0.121 1.806 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.284 -2.036 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.166 -1.904 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.040 -2.788 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.514 -1.511 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.891 -0.114 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.501 -0.174 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.588 -4.278 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.057 -4.196 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.170 -3.298 2.862 1.00 0.00 H new ATOM 1004 N SER A 59 -6.897 1.788 0.107 1.00 0.00 N ATOM 1005 CA SER A 59 -6.327 2.759 -0.839 1.00 0.00 C ATOM 1006 C SER A 59 -4.954 3.210 -0.310 1.00 0.00 C ATOM 1007 O SER A 59 -4.805 3.531 0.874 1.00 0.00 O ATOM 1008 CB SER A 59 -7.255 3.944 -1.025 1.00 0.00 C ATOM 1009 OG SER A 59 -8.447 3.583 -1.668 1.00 0.00 O ATOM 0 H SER A 59 -7.124 2.185 1.019 1.00 0.00 H new ATOM 0 HA SER A 59 -6.206 2.291 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.485 4.380 -0.053 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.748 4.713 -1.607 1.00 0.00 H new ATOM 0 HG SER A 59 -9.018 4.374 -1.767 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.952 3.173 -1.200 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.558 3.528 -0.891 1.00 0.00 C ATOM 1017 C ILE A 60 -2.132 4.735 -1.746 1.00 0.00 C ATOM 1018 O ILE A 60 -2.307 4.724 -2.973 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.595 2.353 -1.144 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.900 1.197 -0.187 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.151 2.806 -0.992 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -2.825 0.152 -0.769 1.00 0.00 C ATOM 0 H ILE A 60 -4.089 2.891 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.506 3.779 0.168 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.739 2.001 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.964 0.720 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.347 1.599 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.516 1.963 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.060 3.597 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.008 3.182 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.994 -0.634 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.777 0.614 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.372 -0.278 -1.662 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.601 5.779 -1.090 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.038 6.955 -1.767 1.00 0.00 C ATOM 1036 C ARG A 61 0.433 7.091 -1.364 1.00 0.00 C ATOM 1037 O ARG A 61 0.761 7.017 -0.179 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.825 8.230 -1.503 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.312 9.461 -2.232 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.264 10.602 -2.252 1.00 0.00 C ATOM 1041 NE ARG A 61 -3.452 10.380 -3.061 1.00 0.00 N ATOM 1042 CZ ARG A 61 -4.581 11.111 -2.978 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -4.694 12.085 -2.102 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -5.581 10.807 -3.786 1.00 0.00 N ATOM 0 H ARG A 61 -1.551 5.830 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.110 6.803 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.864 8.064 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.816 8.430 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.384 9.786 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.071 9.186 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.571 10.821 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.745 11.485 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.429 9.618 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.920 12.297 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.556 12.629 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.485 10.037 -4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.449 11.342 -3.747 1.00 0.00 H new ATOM 1058 N VAL A 62 1.311 7.250 -2.345 1.00 0.00 N ATOM 1059 CA VAL A 62 2.765 7.286 -2.138 1.00 0.00 C ATOM 1060 C VAL A 62 3.239 8.716 -2.420 1.00 0.00 C ATOM 1061 O VAL A 62 2.763 9.354 -3.366 1.00 0.00 O ATOM 1062 CB VAL A 62 3.515 6.293 -3.046 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.178 6.549 -4.507 1.00 0.00 C ATOM 1064 CG2 VAL A 62 5.016 6.395 -2.820 1.00 0.00 C ATOM 0 H VAL A 62 1.037 7.360 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 62 2.982 6.990 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 62 3.196 5.283 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.716 5.839 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.106 6.428 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.470 7.564 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.531 5.687 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.351 7.407 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.244 6.165 -1.779 1.00 0.00 H new ATOM 1074 N LYS A 63 4.152 9.226 -1.562 1.00 0.00 N ATOM 1075 CA LYS A 63 4.778 10.539 -1.754 1.00 0.00 C ATOM 1076 C LYS A 63 6.182 10.290 -2.305 1.00 0.00 C ATOM 1077 O LYS A 63 6.944 9.485 -1.760 1.00 0.00 O ATOM 1078 CB LYS A 63 4.831 11.336 -0.450 1.00 0.00 C ATOM 1079 CG LYS A 63 5.360 12.757 -0.602 1.00 0.00 C ATOM 1080 CD LYS A 63 5.295 13.515 0.715 1.00 0.00 C ATOM 1081 CE LYS A 63 3.862 13.882 1.074 1.00 0.00 C ATOM 1082 NZ LYS A 63 3.779 14.588 2.380 1.00 0.00 N ATOM 0 H LYS A 63 4.469 8.737 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 63 4.190 11.138 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.829 11.378 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.459 10.802 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.390 12.728 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.778 13.285 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.726 12.905 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.898 14.421 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.443 14.515 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.255 12.978 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.815 14.954 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.010 13.926 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.454 15.379 2.390 1.00 0.00 H new ATOM 1096 N HIS A 64 6.473 10.964 -3.412 1.00 0.00 N ATOM 1097 CA HIS A 64 7.733 10.833 -4.143 1.00 0.00 C ATOM 1098 C HIS A 64 8.714 11.937 -3.718 1.00 0.00 C ATOM 1099 O HIS A 64 8.321 13.103 -3.603 1.00 0.00 O ATOM 1100 CB HIS A 64 7.494 10.886 -5.655 1.00 0.00 C ATOM 1101 CG HIS A 64 6.551 9.836 -6.152 1.00 0.00 C ATOM 1102 ND1 HIS A 64 6.879 8.497 -6.185 1.00 0.00 N ATOM 1103 CD2 HIS A 64 5.290 9.926 -6.638 1.00 0.00 C ATOM 1104 CE1 HIS A 64 5.859 7.808 -6.668 1.00 0.00 C ATOM 1105 NE2 HIS A 64 4.884 8.652 -6.951 1.00 0.00 N ATOM 0 H HIS A 64 5.828 11.631 -3.837 1.00 0.00 H new ATOM 0 HA HIS A 64 8.169 9.864 -3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.101 11.868 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.449 10.777 -6.169 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.712 10.830 -6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.829 6.737 -6.807 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.976 8.399 -7.340 1.00 0.00 H new ATOM 1113 N SER A 65 9.977 11.537 -3.467 1.00 0.00 N ATOM 1114 CA SER A 65 11.025 12.417 -2.927 1.00 0.00 C ATOM 1115 C SER A 65 11.161 13.706 -3.761 1.00 0.00 C ATOM 1116 O SER A 65 11.088 14.816 -3.218 1.00 0.00 O ATOM 1117 CB SER A 65 12.348 11.678 -2.878 1.00 0.00 C ATOM 1118 OG SER A 65 12.295 10.558 -2.036 1.00 0.00 O ATOM 0 H SER A 65 10.298 10.584 -3.636 1.00 0.00 H new ATOM 0 HA SER A 65 10.738 12.705 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.624 11.362 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.129 12.355 -2.531 1.00 0.00 H new ATOM 0 HG SER A 65 11.671 10.731 -1.300 1.00 0.00 H new ATOM 1124 N ASP A 66 11.320 13.542 -5.081 1.00 0.00 N ATOM 1125 CA ASP A 66 11.471 14.663 -6.031 1.00 0.00 C ATOM 1126 C ASP A 66 10.169 14.888 -6.817 1.00 0.00 C ATOM 1127 O ASP A 66 9.767 14.032 -7.613 1.00 0.00 O ATOM 1128 CB ASP A 66 12.630 14.405 -6.997 1.00 0.00 C ATOM 1129 CG ASP A 66 12.903 15.544 -7.971 1.00 0.00 C ATOM 1130 OD1 ASP A 66 12.165 16.501 -7.957 1.00 0.00 O ATOM 1131 OD2 ASP A 66 13.930 15.522 -8.606 1.00 0.00 O ATOM 0 H ASP A 66 11.348 12.625 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 66 11.692 15.562 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.534 14.214 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.418 13.500 -7.566 1.00 0.00 H new ATOM 1136 N ALA A 67 9.547 16.064 -6.602 1.00 0.00 N ATOM 1137 CA ALA A 67 8.269 16.443 -7.233 1.00 0.00 C ATOM 1138 C ALA A 67 8.388 16.489 -8.766 1.00 0.00 C ATOM 1139 O ALA A 67 7.404 16.281 -9.469 1.00 0.00 O ATOM 1140 CB ALA A 67 7.782 17.795 -6.676 1.00 0.00 C ATOM 0 H ALA A 67 9.921 16.782 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 67 7.531 15.679 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.838 18.065 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.638 17.714 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.525 18.564 -6.886 1.00 0.00 H new ATOM 1146 N ALA A 68 9.604 16.753 -9.269 1.00 0.00 N ATOM 1147 CA ALA A 68 9.898 16.733 -10.716 1.00 0.00 C ATOM 1148 C ALA A 68 9.901 15.305 -11.282 1.00 0.00 C ATOM 1149 O ALA A 68 9.261 15.032 -12.305 1.00 0.00 O ATOM 1150 CB ALA A 68 11.241 17.428 -10.994 1.00 0.00 C ATOM 0 H ALA A 68 10.410 16.986 -8.689 1.00 0.00 H new ATOM 0 HA ALA A 68 9.102 17.279 -11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.447 17.407 -12.064 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.193 18.463 -10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.037 16.908 -10.461 1.00 0.00 H new ATOM 1156 N GLU A 69 10.610 14.397 -10.594 1.00 0.00 N ATOM 1157 CA GLU A 69 10.696 12.981 -10.994 1.00 0.00 C ATOM 1158 C GLU A 69 9.408 12.210 -10.692 1.00 0.00 C ATOM 1159 O GLU A 69 9.156 11.181 -11.320 1.00 0.00 O ATOM 1160 CB GLU A 69 11.877 12.305 -10.297 1.00 0.00 C ATOM 1161 CG GLU A 69 13.244 12.798 -10.752 1.00 0.00 C ATOM 1162 CD GLU A 69 14.351 12.104 -10.009 1.00 0.00 C ATOM 1163 OE1 GLU A 69 14.056 11.287 -9.170 1.00 0.00 O ATOM 1164 OE2 GLU A 69 15.491 12.308 -10.357 1.00 0.00 O ATOM 0 H GLU A 69 11.137 14.620 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 69 10.844 12.963 -12.074 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.787 12.462 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.817 11.230 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.357 12.625 -11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.316 13.874 -10.594 1.00 0.00 H new ATOM 1171 N GLU A 70 8.582 12.732 -9.766 1.00 0.00 N ATOM 1172 CA GLU A 70 7.396 12.015 -9.244 1.00 0.00 C ATOM 1173 C GLU A 70 6.565 11.286 -10.317 1.00 0.00 C ATOM 1174 O GLU A 70 5.952 10.256 -10.018 1.00 0.00 O ATOM 1175 CB GLU A 70 6.494 12.996 -8.491 1.00 0.00 C ATOM 1176 CG GLU A 70 5.585 13.828 -9.385 1.00 0.00 C ATOM 1177 CD GLU A 70 4.620 14.645 -8.572 1.00 0.00 C ATOM 1178 OE1 GLU A 70 5.066 15.452 -7.792 1.00 0.00 O ATOM 1179 OE2 GLU A 70 3.440 14.545 -8.810 1.00 0.00 O ATOM 0 H GLU A 70 8.714 13.658 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 70 7.785 11.241 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.878 12.437 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.119 13.668 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.189 14.488 -10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.033 13.172 -10.058 1.00 0.00 H new ATOM 1186 N LYS A 71 6.531 11.835 -11.540 1.00 0.00 N ATOM 1187 CA LYS A 71 5.766 11.249 -12.656 1.00 0.00 C ATOM 1188 C LYS A 71 6.402 9.900 -13.043 1.00 0.00 C ATOM 1189 O LYS A 71 5.711 8.887 -13.196 1.00 0.00 O ATOM 1190 CB LYS A 71 5.732 12.194 -13.859 1.00 0.00 C ATOM 1191 CG LYS A 71 4.912 13.459 -13.641 1.00 0.00 C ATOM 1192 CD LYS A 71 4.948 14.359 -14.867 1.00 0.00 C ATOM 1193 CE LYS A 71 4.235 15.678 -14.608 1.00 0.00 C ATOM 1194 NZ LYS A 71 4.271 16.573 -15.795 1.00 0.00 N ATOM 0 H LYS A 71 7.028 12.691 -11.785 1.00 0.00 H new ATOM 0 HA LYS A 71 4.735 11.091 -12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.754 12.477 -14.113 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.328 11.657 -14.717 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.880 13.191 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.298 14.001 -12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.983 14.552 -15.148 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.479 13.849 -15.709 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.199 15.482 -14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.700 16.181 -13.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.774 17.460 -15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.259 16.782 -16.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.804 16.104 -16.598 1.00 0.00 H new ATOM 1208 N LYS A 72 7.742 9.920 -13.166 1.00 0.00 N ATOM 1209 CA LYS A 72 8.554 8.743 -13.508 1.00 0.00 C ATOM 1210 C LYS A 72 8.563 7.742 -12.335 1.00 0.00 C ATOM 1211 O LYS A 72 8.456 6.526 -12.535 1.00 0.00 O ATOM 1212 CB LYS A 72 9.981 9.157 -13.866 1.00 0.00 C ATOM 1213 CG LYS A 72 10.107 9.897 -15.191 1.00 0.00 C ATOM 1214 CD LYS A 72 11.549 10.298 -15.466 1.00 0.00 C ATOM 1215 CE LYS A 72 11.670 11.077 -16.767 1.00 0.00 C ATOM 1216 NZ LYS A 72 13.070 11.507 -17.031 1.00 0.00 N ATOM 0 H LYS A 72 8.296 10.766 -13.029 1.00 0.00 H new ATOM 0 HA LYS A 72 8.110 8.259 -14.378 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.373 9.791 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.607 8.266 -13.901 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.743 9.263 -16.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.477 10.786 -15.175 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.923 10.904 -14.641 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.173 9.406 -15.515 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.318 10.459 -17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.023 11.953 -16.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.108 12.034 -17.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.398 12.118 -16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.684 10.670 -17.096 1.00 0.00 H new ATOM 1230 N GLU A 73 8.652 8.309 -11.113 1.00 0.00 N ATOM 1231 CA GLU A 73 8.722 7.552 -9.860 1.00 0.00 C ATOM 1232 C GLU A 73 7.407 6.834 -9.581 1.00 0.00 C ATOM 1233 O GLU A 73 7.443 5.756 -9.036 1.00 0.00 O ATOM 1234 CB GLU A 73 9.077 8.474 -8.691 1.00 0.00 C ATOM 1235 CG GLU A 73 10.452 9.118 -8.793 1.00 0.00 C ATOM 1236 CD GLU A 73 11.531 8.081 -8.934 1.00 0.00 C ATOM 1237 OE1 GLU A 73 11.545 7.157 -8.156 1.00 0.00 O ATOM 1238 OE2 GLU A 73 12.275 8.150 -9.884 1.00 0.00 O ATOM 0 H GLU A 73 8.677 9.319 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 73 9.507 6.803 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.325 9.260 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.025 7.902 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.478 9.792 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.639 9.723 -7.906 1.00 0.00 H new ATOM 1245 N ALA A 74 6.265 7.424 -9.994 1.00 0.00 N ATOM 1246 CA ALA A 74 4.927 6.782 -9.897 1.00 0.00 C ATOM 1247 C ALA A 74 4.822 5.518 -10.770 1.00 0.00 C ATOM 1248 O ALA A 74 4.269 4.496 -10.342 1.00 0.00 O ATOM 1249 CB ALA A 74 3.830 7.783 -10.286 1.00 0.00 C ATOM 0 H ALA A 74 6.239 8.358 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 74 4.790 6.474 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.855 7.302 -10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.864 8.640 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.991 8.119 -11.310 1.00 0.00 H new ATOM 1255 N LYS A 75 5.342 5.637 -12.005 1.00 0.00 N ATOM 1256 CA LYS A 75 5.485 4.520 -12.957 1.00 0.00 C ATOM 1257 C LYS A 75 6.386 3.400 -12.390 1.00 0.00 C ATOM 1258 O LYS A 75 6.083 2.214 -12.524 1.00 0.00 O ATOM 1259 CB LYS A 75 6.047 5.025 -14.285 1.00 0.00 C ATOM 1260 CG LYS A 75 5.089 5.900 -15.084 1.00 0.00 C ATOM 1261 CD LYS A 75 5.723 6.376 -16.381 1.00 0.00 C ATOM 1262 CE LYS A 75 4.777 7.275 -17.164 1.00 0.00 C ATOM 1263 NZ LYS A 75 5.394 7.767 -18.426 1.00 0.00 N ATOM 0 H LYS A 75 5.680 6.525 -12.375 1.00 0.00 H new ATOM 0 HA LYS A 75 4.494 4.098 -13.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.958 5.591 -14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.330 4.167 -14.895 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.181 5.339 -15.306 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.794 6.761 -14.484 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.643 6.917 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.998 5.515 -16.991 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.864 6.726 -17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.489 8.125 -16.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.717 8.376 -18.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.251 8.312 -18.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.645 6.957 -19.028 1.00 0.00 H new ATOM 1277 N LYS A 76 7.483 3.798 -11.734 1.00 0.00 N ATOM 1278 CA LYS A 76 8.382 2.872 -11.017 1.00 0.00 C ATOM 1279 C LYS A 76 7.652 2.185 -9.826 1.00 0.00 C ATOM 1280 O LYS A 76 7.681 0.955 -9.687 1.00 0.00 O ATOM 1281 CB LYS A 76 9.623 3.616 -10.521 1.00 0.00 C ATOM 1282 CG LYS A 76 10.563 4.078 -11.626 1.00 0.00 C ATOM 1283 CD LYS A 76 11.769 4.812 -11.056 1.00 0.00 C ATOM 1284 CE LYS A 76 12.585 5.474 -12.156 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.690 6.305 -11.605 1.00 0.00 N ATOM 0 H LYS A 76 7.777 4.773 -11.683 1.00 0.00 H new ATOM 0 HA LYS A 76 8.690 2.094 -11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.305 4.485 -9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.173 2.966 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.899 3.217 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.027 4.733 -12.312 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.435 5.567 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.397 4.111 -10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.999 4.708 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.932 6.097 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.190 6.779 -12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.298 7.020 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.355 5.698 -11.086 1.00 0.00 H new ATOM 1299 N PHE A 77 6.969 2.997 -9.001 1.00 0.00 N ATOM 1300 CA PHE A 77 6.369 2.558 -7.724 1.00 0.00 C ATOM 1301 C PHE A 77 5.155 1.665 -8.016 1.00 0.00 C ATOM 1302 O PHE A 77 4.832 0.783 -7.233 1.00 0.00 O ATOM 1303 CB PHE A 77 5.974 3.778 -6.828 1.00 0.00 C ATOM 1304 CG PHE A 77 6.020 3.504 -5.319 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.235 3.508 -4.626 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.860 3.228 -4.597 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.279 3.242 -3.268 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.911 2.966 -3.239 1.00 0.00 C ATOM 1309 CZ PHE A 77 6.117 2.974 -2.580 1.00 0.00 C ATOM 0 H PHE A 77 6.815 3.985 -9.201 1.00 0.00 H new ATOM 0 HA PHE A 77 7.108 1.984 -7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.642 4.609 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.967 4.097 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.151 3.721 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.907 3.218 -5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.226 3.245 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.001 2.755 -2.696 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.153 2.770 -1.520 1.00 0.00 H new ATOM 1319 N ALA A 78 4.482 1.934 -9.154 1.00 0.00 N ATOM 1320 CA ALA A 78 3.334 1.133 -9.618 1.00 0.00 C ATOM 1321 C ALA A 78 3.734 -0.351 -9.725 1.00 0.00 C ATOM 1322 O ALA A 78 2.999 -1.235 -9.282 1.00 0.00 O ATOM 1323 CB ALA A 78 2.822 1.673 -10.966 1.00 0.00 C ATOM 0 H ALA A 78 4.719 2.709 -9.773 1.00 0.00 H new ATOM 0 HA ALA A 78 2.523 1.213 -8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.974 1.074 -11.299 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.509 2.710 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.620 1.617 -11.707 1.00 0.00 H new ATOM 1329 N ALA A 79 4.932 -0.590 -10.301 1.00 0.00 N ATOM 1330 CA ALA A 79 5.550 -1.921 -10.389 1.00 0.00 C ATOM 1331 C ALA A 79 5.899 -2.473 -8.988 1.00 0.00 C ATOM 1332 O ALA A 79 5.725 -3.665 -8.730 1.00 0.00 O ATOM 1333 CB ALA A 79 6.799 -1.855 -11.278 1.00 0.00 C ATOM 0 H ALA A 79 5.499 0.147 -10.721 1.00 0.00 H new ATOM 0 HA ALA A 79 4.832 -2.607 -10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.254 -2.844 -11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.517 -1.521 -12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.514 -1.153 -10.849 1.00 0.00 H new ATOM 1339 N ILE A 80 6.411 -1.586 -8.098 1.00 0.00 N ATOM 1340 CA ILE A 80 6.785 -1.935 -6.704 1.00 0.00 C ATOM 1341 C ILE A 80 5.552 -2.438 -5.924 1.00 0.00 C ATOM 1342 O ILE A 80 5.603 -3.486 -5.278 1.00 0.00 O ATOM 1343 CB ILE A 80 7.401 -0.737 -5.958 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.717 -0.317 -6.618 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.623 -1.079 -4.494 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.750 -1.418 -6.676 1.00 0.00 C ATOM 0 H ILE A 80 6.576 -0.606 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 80 7.533 -2.725 -6.763 1.00 0.00 H new ATOM 0 HB ILE A 80 6.705 0.100 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.510 0.028 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.133 0.530 -6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.059 -0.221 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.669 -1.332 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.300 -1.930 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.654 -1.044 -7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.987 -1.748 -5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.355 -2.257 -7.248 1.00 0.00 H new ATOM 1358 N LEU A 81 4.446 -1.689 -6.044 1.00 0.00 N ATOM 1359 CA LEU A 81 3.179 -1.972 -5.360 1.00 0.00 C ATOM 1360 C LEU A 81 2.559 -3.267 -5.904 1.00 0.00 C ATOM 1361 O LEU A 81 2.051 -4.068 -5.136 1.00 0.00 O ATOM 1362 CB LEU A 81 2.208 -0.797 -5.525 1.00 0.00 C ATOM 1363 CG LEU A 81 2.532 0.442 -4.679 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.651 1.609 -5.104 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.328 0.120 -3.206 1.00 0.00 C ATOM 0 H LEU A 81 4.408 -0.855 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 81 3.378 -2.105 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.190 -0.506 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.204 -1.138 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 81 3.573 0.726 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.888 2.483 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.830 1.836 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.603 1.344 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.558 1.000 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.292 -0.173 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.988 -0.698 -2.918 1.00 0.00 H new ATOM 1377 N ASN A 82 2.648 -3.460 -7.235 1.00 0.00 N ATOM 1378 CA ASN A 82 2.137 -4.662 -7.927 1.00 0.00 C ATOM 1379 C ASN A 82 2.856 -5.934 -7.431 1.00 0.00 C ATOM 1380 O ASN A 82 2.224 -6.988 -7.266 1.00 0.00 O ATOM 1381 CB ASN A 82 2.269 -4.537 -9.433 1.00 0.00 C ATOM 1382 CG ASN A 82 1.260 -3.612 -10.054 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.211 -3.321 -9.469 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.533 -3.216 -11.272 1.00 0.00 N ATOM 0 H ASN A 82 3.079 -2.783 -7.865 1.00 0.00 H new ATOM 0 HA ASN A 82 1.077 -4.746 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.271 -4.181 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.167 -5.525 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.864 -2.639 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.414 -3.484 -11.710 1.00 0.00 H new ATOM 1391 N LYS A 83 4.182 -5.814 -7.193 1.00 0.00 N ATOM 1392 CA LYS A 83 5.002 -6.916 -6.654 1.00 0.00 C ATOM 1393 C LYS A 83 4.589 -7.229 -5.214 1.00 0.00 C ATOM 1394 O LYS A 83 4.485 -8.388 -4.843 1.00 0.00 O ATOM 1395 CB LYS A 83 6.490 -6.570 -6.714 1.00 0.00 C ATOM 1396 CG LYS A 83 7.079 -6.564 -8.119 1.00 0.00 C ATOM 1397 CD LYS A 83 8.549 -6.172 -8.101 1.00 0.00 C ATOM 1398 CE LYS A 83 9.119 -6.099 -9.509 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.558 -5.718 -9.507 1.00 0.00 N ATOM 0 H LYS A 83 4.707 -4.957 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 83 4.832 -7.799 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.640 -5.588 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.042 -7.286 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.970 -7.552 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.522 -5.867 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.664 -5.206 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.114 -6.897 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.000 -7.065 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.552 -5.374 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.908 -5.679 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.669 -4.784 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.103 -6.424 -8.972 1.00 0.00 H new ATOM 1413 N VAL A 84 4.301 -6.162 -4.446 1.00 0.00 N ATOM 1414 CA VAL A 84 3.853 -6.246 -3.044 1.00 0.00 C ATOM 1415 C VAL A 84 2.493 -6.952 -2.949 1.00 0.00 C ATOM 1416 O VAL A 84 2.330 -7.889 -2.175 1.00 0.00 O ATOM 1417 CB VAL A 84 3.744 -4.853 -2.395 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.002 -4.939 -1.070 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.125 -4.250 -2.192 1.00 0.00 C ATOM 0 H VAL A 84 4.374 -5.204 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 84 4.605 -6.823 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 84 3.180 -4.205 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.934 -3.946 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.999 -5.330 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.540 -5.603 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.029 -3.266 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.713 -4.898 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.625 -4.153 -3.156 1.00 0.00 H new ATOM 1429 N PHE A 85 1.550 -6.492 -3.782 1.00 0.00 N ATOM 1430 CA PHE A 85 0.172 -6.997 -3.808 1.00 0.00 C ATOM 1431 C PHE A 85 0.147 -8.479 -4.236 1.00 0.00 C ATOM 1432 O PHE A 85 -0.596 -9.263 -3.674 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.690 -6.155 -4.751 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.861 -4.731 -4.306 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.027 -4.424 -2.964 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.855 -3.695 -5.228 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -1.183 -3.113 -2.554 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.011 -2.385 -4.821 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.175 -2.094 -3.481 1.00 0.00 C ATOM 0 H PHE A 85 1.724 -5.752 -4.462 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.241 -6.921 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.241 -6.164 -5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.673 -6.618 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.034 -5.217 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.727 -3.916 -6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.311 -2.887 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.005 -1.588 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.297 -1.070 -3.161 1.00 0.00 H new ATOM 1449 N ALA A 86 1.010 -8.857 -5.199 1.00 0.00 N ATOM 1450 CA ALA A 86 1.168 -10.263 -5.633 1.00 0.00 C ATOM 1451 C ALA A 86 1.737 -11.143 -4.497 1.00 0.00 C ATOM 1452 O ALA A 86 1.404 -12.328 -4.390 1.00 0.00 O ATOM 1453 CB ALA A 86 2.066 -10.339 -6.871 1.00 0.00 C ATOM 0 H ALA A 86 1.614 -8.203 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 86 0.181 -10.648 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.174 -11.379 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.617 -9.765 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.047 -9.927 -6.635 1.00 0.00 H new ATOM 1459 N GLU A 87 2.580 -10.548 -3.637 1.00 0.00 N ATOM 1460 CA GLU A 87 3.218 -11.261 -2.512 1.00 0.00 C ATOM 1461 C GLU A 87 2.253 -11.325 -1.301 1.00 0.00 C ATOM 1462 O GLU A 87 2.512 -12.046 -0.334 1.00 0.00 O ATOM 1463 CB GLU A 87 4.529 -10.580 -2.112 1.00 0.00 C ATOM 1464 CG GLU A 87 5.697 -10.868 -3.045 1.00 0.00 C ATOM 1465 CD GLU A 87 6.948 -10.172 -2.587 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.336 -10.371 -1.461 1.00 0.00 O ATOM 1467 OE2 GLU A 87 7.577 -9.531 -3.394 1.00 0.00 O ATOM 0 H GLU A 87 2.839 -9.563 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 87 3.445 -12.277 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.368 -9.503 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.797 -10.899 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.872 -11.943 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.447 -10.543 -4.055 1.00 0.00 H new ATOM 1474 N LEU A 88 1.133 -10.568 -1.376 1.00 0.00 N ATOM 1475 CA LEU A 88 0.097 -10.524 -0.317 1.00 0.00 C ATOM 1476 C LEU A 88 -1.108 -11.427 -0.690 1.00 0.00 C ATOM 1477 O LEU A 88 -2.034 -11.596 0.110 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.364 -9.080 -0.084 1.00 0.00 C ATOM 1479 CG LEU A 88 0.697 -8.144 0.509 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.167 -6.717 0.555 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.078 -8.624 1.902 1.00 0.00 C ATOM 0 H LEU A 88 0.922 -9.969 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 88 0.533 -10.904 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.701 -8.665 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.227 -9.094 0.582 1.00 0.00 H new ATOM 0 HG LEU A 88 1.586 -8.157 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.927 -6.060 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.077 -6.387 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.729 -6.681 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.832 -7.959 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.195 -8.623 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.480 -9.635 1.841 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.087 -11.990 -1.916 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.163 -12.860 -2.419 1.00 0.00 C ATOM 1495 C GLY A 89 -3.257 -12.147 -3.217 1.00 0.00 C ATOM 1496 O GLY A 89 -4.325 -12.735 -3.433 1.00 0.00 O ATOM 0 H GLY A 89 -0.325 -11.853 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.720 -13.632 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.625 -13.367 -1.572 1.00 0.00 H new ATOM 1500 N TYR A 90 -2.989 -10.894 -3.657 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.961 -10.062 -4.419 1.00 0.00 C ATOM 1502 C TYR A 90 -3.788 -10.245 -5.943 1.00 0.00 C ATOM 1503 O TYR A 90 -2.664 -10.366 -6.441 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.807 -8.585 -4.053 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.096 -8.281 -2.599 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -4.962 -9.076 -1.864 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -3.501 -7.198 -1.968 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.230 -8.802 -0.536 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.761 -6.915 -0.641 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.626 -7.719 0.072 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.889 -7.443 1.394 1.00 0.00 O ATOM 0 H TYR A 90 -2.095 -10.429 -3.496 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.962 -10.396 -4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.791 -8.267 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.477 -7.994 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.435 -9.924 -2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.824 -6.566 -2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.907 -9.431 0.023 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.289 -6.068 -0.164 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.384 -6.649 1.669 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.923 -10.225 -6.659 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.976 -10.395 -8.128 1.00 0.00 C ATOM 1523 C ASN A 91 -5.005 -9.043 -8.859 1.00 0.00 C ATOM 1524 O ASN A 91 -5.236 -7.998 -8.245 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.170 -11.234 -8.546 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.103 -11.716 -9.969 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.018 -11.928 -10.523 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.253 -11.812 -10.587 1.00 0.00 N ATOM 0 H ASN A 91 -5.841 -10.089 -6.235 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.064 -10.918 -8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.247 -12.096 -7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.079 -10.648 -8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.282 -12.073 -11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.120 -11.626 -10.083 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.771 -9.106 -10.185 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.820 -7.947 -11.119 1.00 0.00 C ATOM 1537 C ASP A 92 -6.231 -7.349 -11.241 1.00 0.00 C ATOM 1538 O ASP A 92 -6.393 -6.159 -11.546 1.00 0.00 O ATOM 1539 CB ASP A 92 -4.318 -8.357 -12.506 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.813 -8.575 -12.591 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -2.125 -8.196 -11.674 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -2.382 -9.255 -13.492 1.00 0.00 O ATOM 0 H ASP A 92 -4.537 -9.981 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.169 -7.179 -10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.823 -9.275 -12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.603 -7.588 -13.224 1.00 0.00 H new ATOM 1547 N SER A 93 -7.237 -8.209 -11.012 1.00 0.00 N ATOM 1548 CA SER A 93 -8.664 -7.848 -11.050 1.00 0.00 C ATOM 1549 C SER A 93 -9.116 -7.149 -9.747 1.00 0.00 C ATOM 1550 O SER A 93 -10.251 -6.672 -9.646 1.00 0.00 O ATOM 1551 CB SER A 93 -9.502 -9.086 -11.300 1.00 0.00 C ATOM 1552 OG SER A 93 -9.450 -9.985 -10.226 1.00 0.00 O ATOM 0 H SER A 93 -7.079 -9.192 -10.791 1.00 0.00 H new ATOM 0 HA SER A 93 -8.808 -7.140 -11.866 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.537 -8.793 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.152 -9.583 -12.205 1.00 0.00 H new ATOM 0 HG SER A 93 -10.004 -10.768 -10.427 1.00 0.00 H new ATOM 1558 N ASN A 94 -8.203 -7.095 -8.762 1.00 0.00 N ATOM 1559 CA ASN A 94 -8.470 -6.524 -7.428 1.00 0.00 C ATOM 1560 C ASN A 94 -7.718 -5.198 -7.214 1.00 0.00 C ATOM 1561 O ASN A 94 -7.981 -4.494 -6.235 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.117 -7.507 -6.327 1.00 0.00 C ATOM 1563 CG ASN A 94 -9.132 -8.602 -6.144 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -9.609 -9.201 -7.115 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -9.522 -8.810 -4.913 1.00 0.00 N ATOM 0 H ASN A 94 -7.252 -7.448 -8.869 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.539 -6.319 -7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.149 -7.955 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.009 -6.964 -5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.253 -9.494 -4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.095 -8.288 -4.148 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.795 -4.859 -8.134 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.962 -3.639 -8.020 1.00 0.00 C ATOM 1574 C VAL A 95 -6.373 -2.635 -9.117 1.00 0.00 C ATOM 1575 O VAL A 95 -6.304 -2.952 -10.306 1.00 0.00 O ATOM 1576 CB VAL A 95 -4.459 -3.949 -8.143 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.641 -2.671 -8.037 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -4.032 -4.944 -7.075 1.00 0.00 C ATOM 0 H VAL A 95 -6.604 -5.413 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.130 -3.213 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.278 -4.394 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.581 -2.909 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.928 -1.988 -8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.827 -2.199 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.967 -5.152 -7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.227 -4.525 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.595 -5.870 -7.194 1.00 0.00 H new ATOM 1588 N THR A 96 -6.864 -1.453 -8.708 1.00 0.00 N ATOM 1589 CA THR A 96 -7.335 -0.403 -9.633 1.00 0.00 C ATOM 1590 C THR A 96 -6.615 0.928 -9.340 1.00 0.00 C ATOM 1591 O THR A 96 -6.532 1.354 -8.192 1.00 0.00 O ATOM 1592 CB THR A 96 -8.857 -0.189 -9.532 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.535 -1.409 -9.861 1.00 0.00 O ATOM 1594 CG2 THR A 96 -9.305 0.910 -10.483 1.00 0.00 C ATOM 0 H THR A 96 -6.947 -1.196 -7.724 1.00 0.00 H new ATOM 0 HA THR A 96 -7.103 -0.737 -10.644 1.00 0.00 H new ATOM 0 HB THR A 96 -9.102 0.107 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.503 -1.273 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.383 1.047 -10.398 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.799 1.841 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.054 0.630 -11.506 1.00 0.00 H new ATOM 1602 N TRP A 97 -6.096 1.570 -10.393 1.00 0.00 N ATOM 1603 CA TRP A 97 -5.460 2.892 -10.297 1.00 0.00 C ATOM 1604 C TRP A 97 -6.442 4.002 -10.750 1.00 0.00 C ATOM 1605 O TRP A 97 -7.138 3.858 -11.760 1.00 0.00 O ATOM 1606 CB TRP A 97 -4.162 2.919 -11.142 1.00 0.00 C ATOM 1607 CG TRP A 97 -3.002 2.181 -10.512 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -2.701 0.851 -10.632 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.996 2.740 -9.652 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -1.571 0.555 -9.912 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -1.123 1.696 -9.301 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -1.754 4.029 -9.144 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 -0.023 1.897 -8.474 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 -0.660 4.226 -8.325 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.191 3.164 -7.991 1.00 0.00 C ATOM 0 H TRP A 97 -6.105 1.188 -11.339 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.197 3.083 -9.257 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -4.368 2.484 -12.120 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -3.871 3.956 -11.310 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.270 0.138 -11.210 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -1.136 -0.365 -9.843 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.412 4.850 -9.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 0.641 1.084 -8.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -0.457 5.213 -7.936 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.033 3.346 -7.340 1.00 0.00 H new ATOM 1626 N ASP A 98 -6.500 5.088 -9.964 1.00 0.00 N ATOM 1627 CA ASP A 98 -7.373 6.251 -10.199 1.00 0.00 C ATOM 1628 C ASP A 98 -6.757 7.497 -9.526 1.00 0.00 C ATOM 1629 O ASP A 98 -6.782 7.609 -8.298 1.00 0.00 O ATOM 1630 CB ASP A 98 -8.785 5.992 -9.668 1.00 0.00 C ATOM 1631 CG ASP A 98 -9.779 7.109 -9.955 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -9.365 8.141 -10.428 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -10.958 6.869 -9.847 1.00 0.00 O ATOM 0 H ASP A 98 -5.927 5.185 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.452 6.424 -11.272 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.160 5.067 -10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.732 5.837 -8.590 1.00 0.00 H new ATOM 1638 N GLY A 99 -6.151 8.386 -10.341 1.00 0.00 N ATOM 1639 CA GLY A 99 -5.573 9.653 -9.865 1.00 0.00 C ATOM 1640 C GLY A 99 -4.248 9.489 -9.116 1.00 0.00 C ATOM 1641 O GLY A 99 -4.096 10.027 -8.016 1.00 0.00 O ATOM 0 H GLY A 99 -6.051 8.242 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.417 10.313 -10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.291 10.145 -9.209 1.00 0.00 H new ATOM 1645 N ASP A 100 -3.292 8.741 -9.725 1.00 0.00 N ATOM 1646 CA ASP A 100 -1.947 8.424 -9.134 1.00 0.00 C ATOM 1647 C ASP A 100 -2.073 7.770 -7.733 1.00 0.00 C ATOM 1648 O ASP A 100 -1.132 7.768 -6.936 1.00 0.00 O ATOM 1649 CB ASP A 100 -1.089 9.688 -9.038 1.00 0.00 C ATOM 1650 CG ASP A 100 -0.783 10.345 -10.377 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -0.325 9.660 -11.260 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -1.152 11.480 -10.557 1.00 0.00 O ATOM 0 H ASP A 100 -3.426 8.333 -10.650 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.464 7.709 -9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.599 10.411 -8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.149 9.437 -8.547 1.00 0.00 H new ATOM 1657 N THR A 101 -3.234 7.161 -7.502 1.00 0.00 N ATOM 1658 CA THR A 101 -3.626 6.547 -6.224 1.00 0.00 C ATOM 1659 C THR A 101 -4.163 5.142 -6.528 1.00 0.00 C ATOM 1660 O THR A 101 -4.916 4.982 -7.485 1.00 0.00 O ATOM 1661 CB THR A 101 -4.694 7.367 -5.479 1.00 0.00 C ATOM 1662 OG1 THR A 101 -4.254 8.725 -5.349 1.00 0.00 O ATOM 1663 CG2 THR A 101 -4.944 6.785 -4.096 1.00 0.00 C ATOM 0 H THR A 101 -3.955 7.076 -8.219 1.00 0.00 H new ATOM 0 HA THR A 101 -2.754 6.508 -5.571 1.00 0.00 H new ATOM 0 HB THR A 101 -5.621 7.332 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.221 9.144 -6.234 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.702 7.377 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.291 5.756 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.018 6.804 -3.521 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.792 4.127 -5.728 1.00 0.00 N ATOM 1672 CA VAL A 102 -4.157 2.728 -6.022 1.00 0.00 C ATOM 1673 C VAL A 102 -5.161 2.239 -4.955 1.00 0.00 C ATOM 1674 O VAL A 102 -4.939 2.372 -3.745 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.928 1.799 -6.043 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.267 1.759 -4.673 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.326 0.399 -6.482 1.00 0.00 C ATOM 0 H VAL A 102 -3.243 4.247 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.605 2.696 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.210 2.195 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.401 1.098 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.947 2.763 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.979 1.387 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.446 -0.244 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.063 -0.005 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.756 0.440 -7.483 1.00 0.00 H new ATOM 1687 N THR A 103 -6.302 1.729 -5.430 1.00 0.00 N ATOM 1688 CA THR A 103 -7.344 1.147 -4.587 1.00 0.00 C ATOM 1689 C THR A 103 -7.419 -0.371 -4.852 1.00 0.00 C ATOM 1690 O THR A 103 -7.556 -0.817 -5.997 1.00 0.00 O ATOM 1691 CB THR A 103 -8.718 1.790 -4.846 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.658 3.191 -4.543 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.786 1.135 -3.983 1.00 0.00 C ATOM 0 H THR A 103 -6.528 1.710 -6.424 1.00 0.00 H new ATOM 0 HA THR A 103 -7.085 1.338 -3.546 1.00 0.00 H new ATOM 0 HB THR A 103 -8.976 1.648 -5.895 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.589 3.313 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.751 1.603 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.843 0.072 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.530 1.260 -2.931 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.263 -1.145 -3.773 1.00 0.00 N ATOM 1702 CA VAL A 104 -7.130 -2.597 -3.801 1.00 0.00 C ATOM 1703 C VAL A 104 -8.217 -3.232 -2.916 1.00 0.00 C ATOM 1704 O VAL A 104 -8.422 -2.802 -1.768 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.739 -3.053 -3.323 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.641 -4.571 -3.343 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.650 -2.438 -4.189 1.00 0.00 C ATOM 0 H VAL A 104 -7.225 -0.762 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.251 -2.924 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.598 -2.711 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.652 -4.876 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.398 -4.993 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.803 -4.933 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.674 -2.771 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.788 -2.750 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.707 -1.351 -4.127 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.915 -4.237 -3.460 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.901 -5.038 -2.721 1.00 0.00 C ATOM 1719 C GLU A 105 -9.183 -6.288 -2.193 1.00 0.00 C ATOM 1720 O GLU A 105 -8.474 -6.961 -2.955 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.089 -5.421 -3.607 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.953 -4.247 -4.041 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.092 -4.023 -3.086 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.202 -4.764 -2.138 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.786 -3.046 -3.238 1.00 0.00 O ATOM 0 H GLU A 105 -8.811 -4.520 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.307 -4.456 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.715 -5.929 -4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.712 -6.136 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.343 -3.346 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.345 -4.432 -5.041 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.330 -6.592 -0.900 1.00 0.00 N ATOM 1733 CA GLY A 106 -8.684 -7.765 -0.304 1.00 0.00 C ATOM 1734 C GLY A 106 -9.579 -8.494 0.687 1.00 0.00 C ATOM 1735 O GLY A 106 -10.635 -7.983 1.068 1.00 0.00 O ATOM 0 H GLY A 106 -9.890 -6.043 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -8.391 -8.454 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.770 -7.453 0.201 1.00 0.00 H new ATOM 1739 N GLN A 107 -9.162 -9.699 1.084 1.00 0.00 N ATOM 1740 CA GLN A 107 -9.902 -10.566 2.006 1.00 0.00 C ATOM 1741 C GLN A 107 -8.848 -11.340 2.801 1.00 0.00 C ATOM 1742 O GLN A 107 -8.005 -12.037 2.219 1.00 0.00 O ATOM 1743 CB GLN A 107 -10.840 -11.522 1.265 1.00 0.00 C ATOM 1744 CG GLN A 107 -11.876 -10.829 0.397 1.00 0.00 C ATOM 1745 CD GLN A 107 -12.838 -11.808 -0.249 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -12.648 -12.220 -1.397 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -13.880 -12.185 0.483 1.00 0.00 N ATOM 0 H GLN A 107 -8.283 -10.108 0.767 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.541 -9.973 2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -10.244 -12.186 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.354 -12.148 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.438 -10.119 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.370 -10.255 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.998 -11.820 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.562 -12.840 0.100 1.00 0.00 H new