USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 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 109 MET CE :methyl 159:sc= -0.194 (180deg=-0.916) USER MOD Set 1.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.79! C(o=-2.8!,f=-4.6!) USER MOD Single : A 51 MET CE :methyl -154:sc= -1.55 (180deg=-3.05!) USER MOD Single : A 53 ASN :FLIP amide:sc=-0.00387 F(o=-1.8,f=-0.0039) USER MOD Single : A 60 ASN : amide:sc= -0.177 K(o=-0.18,f=-5.3!) USER MOD Single : A 62 THR OG1 : rot 130:sc= -1.06 USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.16 USER MOD Single : A 71 MET CE :methyl -164:sc= -0.0646 (180deg=-0.411) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= -0.652 (180deg=-2.36!) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.08! C(o=-2.9!,f=-1.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 101:sc= 1.09 USER MOD Single : A 107 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-0.72) USER MOD Single : A 111 ASN : amide:sc=-0.00381 X(o=-0.0038,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 14.877 -0.259 -1.773 1.00 0.00 N ATOM 29 CA LEU A 48 13.520 0.237 -1.987 1.00 0.00 C ATOM 30 C LEU A 48 13.137 1.451 -1.134 1.00 0.00 C ATOM 31 O LEU A 48 11.993 1.910 -1.197 1.00 0.00 O ATOM 32 CB LEU A 48 12.536 -0.905 -1.737 1.00 0.00 C ATOM 33 CG LEU A 48 11.747 -1.349 -2.966 1.00 0.00 C ATOM 34 CD1 LEU A 48 11.275 -2.785 -2.812 1.00 0.00 C ATOM 35 CD2 LEU A 48 10.563 -0.424 -3.178 1.00 0.00 C ATOM 0 HA LEU A 48 13.478 0.588 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.086 -1.761 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.833 -0.598 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 48 12.400 -1.298 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.715 -3.081 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.137 -3.441 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.634 -2.865 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.003 -0.745 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.915 -0.457 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.920 0.595 -3.328 1.00 0.00 H new ATOM 47 N GLN A 49 14.063 1.966 -0.333 1.00 0.00 N ATOM 48 CA GLN A 49 13.783 3.152 0.474 1.00 0.00 C ATOM 49 C GLN A 49 13.353 4.323 -0.412 1.00 0.00 C ATOM 50 O GLN A 49 12.620 5.204 0.032 1.00 0.00 O ATOM 51 CB GLN A 49 14.995 3.559 1.314 1.00 0.00 C ATOM 52 CG GLN A 49 15.406 2.534 2.363 1.00 0.00 C ATOM 53 CD GLN A 49 14.241 2.006 3.177 1.00 0.00 C ATOM 54 OE1 GLN A 49 13.662 0.968 2.853 1.00 0.00 O ATOM 55 NE2 GLN A 49 13.877 2.729 4.223 1.00 0.00 N ATOM 0 H GLN A 49 15.004 1.588 -0.224 1.00 0.00 H new ATOM 0 HA GLN A 49 12.967 2.897 1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.839 3.738 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.776 4.503 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.903 1.699 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 49 16.135 2.986 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.385 3.582 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.088 2.433 4.798 1.00 0.00 H new ATOM 64 N ASP A 50 13.799 4.318 -1.666 1.00 0.00 N ATOM 65 CA ASP A 50 13.429 5.362 -2.619 1.00 0.00 C ATOM 66 C ASP A 50 11.913 5.396 -2.816 1.00 0.00 C ATOM 67 O ASP A 50 11.280 6.443 -2.660 1.00 0.00 O ATOM 68 CB ASP A 50 14.144 5.154 -3.968 1.00 0.00 C ATOM 69 CG ASP A 50 13.631 3.952 -4.748 1.00 0.00 C ATOM 70 OD1 ASP A 50 13.765 2.815 -4.252 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.086 4.147 -5.855 1.00 0.00 O ATOM 0 H ASP A 50 14.418 3.602 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 50 13.747 6.321 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.023 6.050 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.212 5.032 -3.789 1.00 0.00 H new ATOM 76 N MET A 51 11.327 4.245 -3.116 1.00 0.00 N ATOM 77 CA MET A 51 9.891 4.156 -3.320 1.00 0.00 C ATOM 78 C MET A 51 9.167 4.340 -1.994 1.00 0.00 C ATOM 79 O MET A 51 8.034 4.806 -1.957 1.00 0.00 O ATOM 80 CB MET A 51 9.516 2.819 -3.966 1.00 0.00 C ATOM 81 CG MET A 51 8.057 2.725 -4.400 1.00 0.00 C ATOM 82 SD MET A 51 7.695 1.208 -5.305 1.00 0.00 S ATOM 83 CE MET A 51 6.037 1.550 -5.889 1.00 0.00 C ATOM 0 H MET A 51 11.825 3.361 -3.223 1.00 0.00 H new ATOM 0 HA MET A 51 9.583 4.951 -3.999 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.154 2.656 -4.835 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.727 2.015 -3.261 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.416 2.779 -3.520 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.813 3.583 -5.026 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.506 0.611 -6.047 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.506 2.147 -5.148 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.088 2.100 -6.829 1.00 0.00 H new ATOM 93 N ILE A 52 9.841 3.987 -0.905 1.00 0.00 N ATOM 94 CA ILE A 52 9.304 4.205 0.431 1.00 0.00 C ATOM 95 C ILE A 52 9.178 5.702 0.703 1.00 0.00 C ATOM 96 O ILE A 52 8.185 6.163 1.261 1.00 0.00 O ATOM 97 CB ILE A 52 10.193 3.529 1.507 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.928 2.021 1.528 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.975 4.135 2.887 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.640 1.284 2.639 1.00 0.00 C ATOM 0 H ILE A 52 10.762 3.548 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 52 8.315 3.750 0.483 1.00 0.00 H new ATOM 0 HB ILE A 52 11.235 3.706 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.855 1.853 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.233 1.596 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.617 3.633 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.220 5.197 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.932 4.010 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.400 0.222 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.716 1.418 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.318 1.679 3.602 1.00 0.00 H new ATOM 112 N ASN A 53 10.176 6.451 0.256 1.00 0.00 N ATOM 113 CA ASN A 53 10.203 7.900 0.436 1.00 0.00 C ATOM 114 C ASN A 53 9.252 8.587 -0.539 1.00 0.00 C ATOM 115 O ASN A 53 8.925 9.763 -0.380 1.00 0.00 O ATOM 116 CB ASN A 53 11.629 8.446 0.288 1.00 0.00 C ATOM 117 CG ASN A 53 12.473 8.221 1.536 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.148 7.188 2.296 1.00 0.00 O flip ATOM 119 ND2 ASN A 53 13.406 8.975 1.820 1.00 0.00 N flip ATOM 0 H ASN A 53 10.986 6.077 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 53 9.864 8.119 1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.111 7.967 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.585 9.513 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.629 9.762 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.955 8.812 2.664 1.00 0.00 H new ATOM 126 N GLU A 54 8.837 7.868 -1.575 1.00 0.00 N ATOM 127 CA GLU A 54 7.819 8.371 -2.494 1.00 0.00 C ATOM 128 C GLU A 54 6.410 8.164 -1.933 1.00 0.00 C ATOM 129 O GLU A 54 5.447 8.758 -2.417 1.00 0.00 O ATOM 130 CB GLU A 54 7.929 7.660 -3.843 1.00 0.00 C ATOM 131 CG GLU A 54 9.243 7.904 -4.562 1.00 0.00 C ATOM 132 CD GLU A 54 9.437 9.356 -4.937 1.00 0.00 C ATOM 133 OE1 GLU A 54 8.901 9.786 -5.975 1.00 0.00 O ATOM 134 OE2 GLU A 54 10.126 10.077 -4.187 1.00 0.00 O ATOM 0 H GLU A 54 9.188 6.937 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 54 7.991 9.440 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.804 6.588 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.110 7.988 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.067 7.583 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.280 7.291 -5.463 1.00 0.00 H new ATOM 141 N VAL A 55 6.294 7.315 -0.919 1.00 0.00 N ATOM 142 CA VAL A 55 4.983 6.909 -0.410 1.00 0.00 C ATOM 143 C VAL A 55 4.710 7.445 0.998 1.00 0.00 C ATOM 144 O VAL A 55 3.558 7.682 1.362 1.00 0.00 O ATOM 145 CB VAL A 55 4.859 5.363 -0.413 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.566 4.901 0.240 1.00 0.00 C ATOM 147 CG2 VAL A 55 4.948 4.823 -1.833 1.00 0.00 C ATOM 0 H VAL A 55 7.086 6.894 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 55 4.237 7.341 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 55 5.690 4.969 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.516 3.812 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.537 5.245 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.716 5.314 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.859 3.737 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.141 5.243 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.908 5.101 -2.269 1.00 0.00 H new ATOM 157 N ASP A 56 5.764 7.611 1.791 1.00 0.00 N ATOM 158 CA ASP A 56 5.629 8.091 3.173 1.00 0.00 C ATOM 159 C ASP A 56 5.044 9.517 3.259 1.00 0.00 C ATOM 160 O ASP A 56 5.755 10.501 3.471 1.00 0.00 O ATOM 161 CB ASP A 56 6.978 7.991 3.916 1.00 0.00 C ATOM 162 CG ASP A 56 8.024 8.993 3.451 1.00 0.00 C ATOM 163 OD1 ASP A 56 8.130 9.237 2.237 1.00 0.00 O ATOM 164 OD2 ASP A 56 8.725 9.562 4.315 1.00 0.00 O ATOM 0 H ASP A 56 6.725 7.421 1.505 1.00 0.00 H new ATOM 0 HA ASP A 56 4.909 7.439 3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.804 8.134 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.375 6.984 3.790 1.00 0.00 H new ATOM 169 N ALA A 57 3.727 9.614 3.127 1.00 0.00 N ATOM 170 CA ALA A 57 3.034 10.896 3.235 1.00 0.00 C ATOM 171 C ALA A 57 3.013 11.378 4.682 1.00 0.00 C ATOM 172 O ALA A 57 3.072 12.576 4.944 1.00 0.00 O ATOM 173 CB ALA A 57 1.624 10.798 2.675 1.00 0.00 C ATOM 0 H ALA A 57 3.114 8.819 2.945 1.00 0.00 H new ATOM 0 HA ALA A 57 3.581 11.629 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.128 11.764 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.669 10.511 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.063 10.048 3.232 1.00 0.00 H new ATOM 179 N ASP A 58 2.946 10.436 5.620 1.00 0.00 N ATOM 180 CA ASP A 58 3.065 10.775 7.040 1.00 0.00 C ATOM 181 C ASP A 58 4.529 10.776 7.410 1.00 0.00 C ATOM 182 O ASP A 58 4.938 11.326 8.428 1.00 0.00 O ATOM 183 CB ASP A 58 2.381 9.755 7.960 1.00 0.00 C ATOM 184 CG ASP A 58 1.004 9.326 7.519 1.00 0.00 C ATOM 185 OD1 ASP A 58 0.074 10.154 7.541 1.00 0.00 O ATOM 186 OD2 ASP A 58 0.853 8.131 7.164 1.00 0.00 O ATOM 0 H ASP A 58 2.812 9.443 5.428 1.00 0.00 H new ATOM 0 HA ASP A 58 2.586 11.745 7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.015 8.871 8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.310 10.181 8.961 1.00 0.00 H new ATOM 191 N GLY A 59 5.312 10.144 6.551 1.00 0.00 N ATOM 192 CA GLY A 59 6.698 9.880 6.847 1.00 0.00 C ATOM 193 C GLY A 59 6.848 8.678 7.752 1.00 0.00 C ATOM 194 O GLY A 59 7.931 8.412 8.266 1.00 0.00 O ATOM 0 H GLY A 59 5.003 9.805 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.244 9.709 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.143 10.754 7.323 1.00 0.00 H new ATOM 198 N ASN A 60 5.751 7.942 7.938 1.00 0.00 N ATOM 199 CA ASN A 60 5.762 6.752 8.784 1.00 0.00 C ATOM 200 C ASN A 60 6.301 5.537 8.030 1.00 0.00 C ATOM 201 O ASN A 60 6.344 4.431 8.567 1.00 0.00 O ATOM 202 CB ASN A 60 4.366 6.474 9.388 1.00 0.00 C ATOM 203 CG ASN A 60 3.241 6.215 8.383 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.261 6.677 7.233 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.218 5.495 8.831 1.00 0.00 N ATOM 0 H ASN A 60 4.847 8.150 7.514 1.00 0.00 H new ATOM 0 HA ASN A 60 6.441 6.947 9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.443 5.610 10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.084 7.325 10.008 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.420 5.309 8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.231 5.128 9.783 1.00 0.00 H new ATOM 212 N GLY A 61 6.687 5.747 6.773 1.00 0.00 N ATOM 213 CA GLY A 61 7.415 4.730 6.029 1.00 0.00 C ATOM 214 C GLY A 61 6.501 3.677 5.439 1.00 0.00 C ATOM 215 O GLY A 61 6.956 2.712 4.824 1.00 0.00 O ATOM 0 H GLY A 61 6.508 6.607 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.980 5.206 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.138 4.250 6.688 1.00 0.00 H new ATOM 219 N THR A 62 5.212 3.869 5.621 1.00 0.00 N ATOM 220 CA THR A 62 4.224 2.924 5.153 1.00 0.00 C ATOM 221 C THR A 62 2.952 3.668 4.792 1.00 0.00 C ATOM 222 O THR A 62 2.644 4.714 5.386 1.00 0.00 O ATOM 223 CB THR A 62 3.924 1.855 6.232 1.00 0.00 C ATOM 224 OG1 THR A 62 3.022 0.864 5.721 1.00 0.00 O ATOM 225 CG2 THR A 62 3.327 2.498 7.475 1.00 0.00 C ATOM 0 H THR A 62 4.821 4.683 6.096 1.00 0.00 H new ATOM 0 HA THR A 62 4.616 2.414 4.273 1.00 0.00 H new ATOM 0 HB THR A 62 4.865 1.375 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.384 -0.030 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.124 1.729 8.220 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.031 3.223 7.884 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.398 3.004 7.213 1.00 0.00 H new ATOM 233 N ILE A 63 2.234 3.158 3.811 1.00 0.00 N ATOM 234 CA ILE A 63 0.963 3.734 3.450 1.00 0.00 C ATOM 235 C ILE A 63 -0.074 3.286 4.464 1.00 0.00 C ATOM 236 O ILE A 63 -0.019 2.163 4.975 1.00 0.00 O ATOM 237 CB ILE A 63 0.537 3.360 2.002 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.184 4.626 1.218 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.640 2.394 1.995 1.00 0.00 C ATOM 240 CD1 ILE A 63 -0.084 4.383 -0.252 1.00 0.00 C ATOM 0 H ILE A 63 2.511 2.349 3.254 1.00 0.00 H new ATOM 0 HA ILE A 63 1.050 4.820 3.465 1.00 0.00 H new ATOM 0 HB ILE A 63 1.379 2.860 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.697 5.086 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.001 5.341 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.909 2.156 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.363 1.479 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.492 2.855 2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.327 5.328 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.803 3.953 -0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.921 3.693 -0.360 1.00 0.00 H new ATOM 252 N ASP A 64 -0.990 4.173 4.771 1.00 0.00 N ATOM 253 CA ASP A 64 -2.018 3.908 5.749 1.00 0.00 C ATOM 254 C ASP A 64 -3.327 3.879 5.002 1.00 0.00 C ATOM 255 O ASP A 64 -3.336 4.152 3.801 1.00 0.00 O ATOM 256 CB ASP A 64 -2.048 4.993 6.834 1.00 0.00 C ATOM 257 CG ASP A 64 -0.772 5.060 7.648 1.00 0.00 C ATOM 258 OD1 ASP A 64 0.272 5.452 7.095 1.00 0.00 O ATOM 259 OD2 ASP A 64 -0.797 4.690 8.848 1.00 0.00 O ATOM 0 H ASP A 64 -1.044 5.100 4.349 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.827 2.962 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.223 5.961 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.888 4.806 7.503 1.00 0.00 H new ATOM 264 N PHE A 65 -4.419 3.564 5.666 1.00 0.00 N ATOM 265 CA PHE A 65 -5.718 3.641 5.012 1.00 0.00 C ATOM 266 C PHE A 65 -5.958 5.048 4.438 1.00 0.00 C ATOM 267 O PHE A 65 -6.294 5.178 3.259 1.00 0.00 O ATOM 268 CB PHE A 65 -6.846 3.217 5.957 1.00 0.00 C ATOM 269 CG PHE A 65 -6.832 1.746 6.271 1.00 0.00 C ATOM 270 CD1 PHE A 65 -6.053 1.256 7.307 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.598 0.858 5.537 1.00 0.00 C ATOM 272 CE1 PHE A 65 -6.039 -0.094 7.603 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.589 -0.492 5.829 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.804 -0.973 6.842 1.00 0.00 C ATOM 0 H PHE A 65 -4.440 3.258 6.639 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.717 2.938 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.765 3.781 6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.805 3.477 5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.450 1.937 7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.210 1.225 4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.438 -0.465 8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.204 -1.171 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.778 -2.032 7.050 1.00 0.00 H new ATOM 284 N PRO A 66 -5.765 6.123 5.246 1.00 0.00 N ATOM 285 CA PRO A 66 -5.845 7.505 4.755 1.00 0.00 C ATOM 286 C PRO A 66 -4.935 7.771 3.551 1.00 0.00 C ATOM 287 O PRO A 66 -5.388 8.326 2.544 1.00 0.00 O ATOM 288 CB PRO A 66 -5.409 8.360 5.955 1.00 0.00 C ATOM 289 CG PRO A 66 -4.834 7.406 6.944 1.00 0.00 C ATOM 290 CD PRO A 66 -5.512 6.094 6.696 1.00 0.00 C ATOM 0 HA PRO A 66 -6.850 7.732 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.672 9.106 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.256 8.900 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.755 7.317 6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.009 7.749 7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.879 5.253 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.437 6.003 7.266 1.00 0.00 H new ATOM 298 N GLU A 67 -3.657 7.376 3.633 1.00 0.00 N ATOM 299 CA GLU A 67 -2.727 7.614 2.525 1.00 0.00 C ATOM 300 C GLU A 67 -3.123 6.837 1.279 1.00 0.00 C ATOM 301 O GLU A 67 -3.220 7.411 0.195 1.00 0.00 O ATOM 302 CB GLU A 67 -1.305 7.228 2.898 1.00 0.00 C ATOM 303 CG GLU A 67 -0.609 8.203 3.818 1.00 0.00 C ATOM 304 CD GLU A 67 0.654 7.602 4.375 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.644 6.407 4.683 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.649 8.303 4.584 1.00 0.00 O ATOM 0 H GLU A 67 -3.251 6.900 4.439 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.774 8.683 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.322 6.248 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.718 7.128 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.373 9.118 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.276 8.480 4.634 1.00 0.00 H new ATOM 313 N PHE A 68 -3.351 5.534 1.437 1.00 0.00 N ATOM 314 CA PHE A 68 -3.626 4.661 0.299 1.00 0.00 C ATOM 315 C PHE A 68 -4.853 5.145 -0.446 1.00 0.00 C ATOM 316 O PHE A 68 -4.840 5.253 -1.671 1.00 0.00 O ATOM 317 CB PHE A 68 -3.825 3.211 0.752 1.00 0.00 C ATOM 318 CG PHE A 68 -3.824 2.219 -0.384 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.634 1.722 -0.894 1.00 0.00 C ATOM 320 CD2 PHE A 68 -5.018 1.788 -0.943 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.637 0.816 -1.939 1.00 0.00 C ATOM 322 CE2 PHE A 68 -5.027 0.882 -1.989 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.809 0.384 -2.476 1.00 0.00 C ATOM 0 H PHE A 68 -3.351 5.061 2.341 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.765 4.694 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.035 2.947 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.770 3.134 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.695 2.046 -0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.954 2.165 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.700 0.449 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.961 0.562 -2.426 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.802 -0.341 -3.276 1.00 0.00 H new ATOM 333 N LEU A 69 -5.901 5.458 0.302 1.00 0.00 N ATOM 334 CA LEU A 69 -7.125 5.965 -0.286 1.00 0.00 C ATOM 335 C LEU A 69 -6.896 7.279 -1.004 1.00 0.00 C ATOM 336 O LEU A 69 -7.424 7.490 -2.088 1.00 0.00 O ATOM 337 CB LEU A 69 -8.213 6.127 0.771 1.00 0.00 C ATOM 338 CG LEU A 69 -9.025 4.865 1.027 1.00 0.00 C ATOM 339 CD1 LEU A 69 -10.212 5.158 1.934 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.477 4.294 -0.305 1.00 0.00 C ATOM 0 H LEU A 69 -5.925 5.369 1.318 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.457 5.231 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.752 6.445 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.889 6.924 0.462 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.405 4.130 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.777 4.241 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.854 5.544 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.857 5.899 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.060 3.389 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.091 5.028 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.605 4.054 -0.913 1.00 0.00 H new ATOM 352 N THR A 70 -6.098 8.152 -0.418 1.00 0.00 N ATOM 353 CA THR A 70 -5.854 9.447 -1.018 1.00 0.00 C ATOM 354 C THR A 70 -5.015 9.308 -2.290 1.00 0.00 C ATOM 355 O THR A 70 -5.303 9.926 -3.310 1.00 0.00 O ATOM 356 CB THR A 70 -5.153 10.402 -0.031 1.00 0.00 C ATOM 357 OG1 THR A 70 -5.983 10.615 1.120 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.832 11.740 -0.684 1.00 0.00 C ATOM 0 H THR A 70 -5.613 7.989 0.464 1.00 0.00 H new ATOM 0 HA THR A 70 -6.824 9.872 -1.277 1.00 0.00 H new ATOM 0 HB THR A 70 -4.215 9.937 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.870 9.871 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.339 12.389 0.040 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.172 11.580 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.755 12.210 -1.023 1.00 0.00 H new ATOM 366 N MET A 71 -3.980 8.486 -2.219 1.00 0.00 N ATOM 367 CA MET A 71 -3.126 8.216 -3.366 1.00 0.00 C ATOM 368 C MET A 71 -3.893 7.478 -4.456 1.00 0.00 C ATOM 369 O MET A 71 -3.641 7.679 -5.641 1.00 0.00 O ATOM 370 CB MET A 71 -1.893 7.411 -2.947 1.00 0.00 C ATOM 371 CG MET A 71 -0.920 8.194 -2.077 1.00 0.00 C ATOM 372 SD MET A 71 -0.252 9.649 -2.912 1.00 0.00 S ATOM 373 CE MET A 71 0.680 8.890 -4.241 1.00 0.00 C ATOM 0 H MET A 71 -3.709 7.990 -1.370 1.00 0.00 H new ATOM 0 HA MET A 71 -2.795 9.174 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.217 6.522 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.373 7.068 -3.841 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.426 8.505 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.099 7.542 -1.780 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.369 9.620 -4.665 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.244 8.042 -3.852 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.005 8.545 -5.015 1.00 0.00 H new ATOM 383 N MET A 72 -4.834 6.625 -4.063 1.00 0.00 N ATOM 384 CA MET A 72 -5.696 5.948 -5.023 1.00 0.00 C ATOM 385 C MET A 72 -6.742 6.924 -5.545 1.00 0.00 C ATOM 386 O MET A 72 -7.229 6.797 -6.659 1.00 0.00 O ATOM 387 CB MET A 72 -6.381 4.742 -4.373 1.00 0.00 C ATOM 388 CG MET A 72 -7.236 3.924 -5.330 1.00 0.00 C ATOM 389 SD MET A 72 -8.066 2.548 -4.511 1.00 0.00 S ATOM 390 CE MET A 72 -8.840 1.751 -5.913 1.00 0.00 C ATOM 0 H MET A 72 -5.018 6.387 -3.088 1.00 0.00 H new ATOM 0 HA MET A 72 -5.087 5.591 -5.854 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.619 4.095 -3.940 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.007 5.092 -3.552 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.982 4.572 -5.790 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.609 3.539 -6.134 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.396 0.877 -5.574 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.523 2.449 -6.397 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.074 1.441 -6.624 1.00 0.00 H new ATOM 400 N ALA A 73 -7.018 7.940 -4.737 1.00 0.00 N ATOM 401 CA ALA A 73 -8.044 8.919 -5.071 1.00 0.00 C ATOM 402 C ALA A 73 -7.419 9.975 -5.960 1.00 0.00 C ATOM 403 O ALA A 73 -8.106 10.732 -6.647 1.00 0.00 O ATOM 404 CB ALA A 73 -8.632 9.559 -3.822 1.00 0.00 C ATOM 0 H ALA A 73 -6.547 8.107 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.862 8.420 -5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.394 10.284 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.082 8.789 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.842 10.064 -3.266 1.00 0.00 H new ATOM 410 N ARG A 74 -6.090 10.012 -5.898 1.00 0.00 N ATOM 411 CA ARG A 74 -5.285 11.021 -6.558 1.00 0.00 C ATOM 412 C ARG A 74 -5.711 11.228 -8.008 1.00 0.00 C ATOM 413 O ARG A 74 -5.945 12.355 -8.437 1.00 0.00 O ATOM 414 CB ARG A 74 -3.809 10.638 -6.496 1.00 0.00 C ATOM 415 CG ARG A 74 -2.875 11.718 -7.013 1.00 0.00 C ATOM 416 CD ARG A 74 -1.424 11.287 -6.905 1.00 0.00 C ATOM 417 NE ARG A 74 -1.163 10.066 -7.668 1.00 0.00 N ATOM 418 CZ ARG A 74 -0.080 9.868 -8.413 1.00 0.00 C ATOM 419 NH1 ARG A 74 0.855 10.806 -8.499 1.00 0.00 N ATOM 420 NH2 ARG A 74 0.065 8.727 -9.070 1.00 0.00 N ATOM 0 H ARG A 74 -5.539 9.328 -5.378 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.439 11.962 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.546 10.406 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.654 9.728 -7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.114 11.942 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.027 12.636 -6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.779 12.087 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.170 11.123 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.856 9.319 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.745 11.684 -7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.684 10.649 -9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.653 8.005 -9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.894 8.570 -9.643 1.00 0.00 H new ATOM 544 N GLU A 82 -14.400 -0.457 1.738 1.00 0.00 N ATOM 545 CA GLU A 82 -13.537 -0.489 2.911 1.00 0.00 C ATOM 546 C GLU A 82 -12.975 -1.885 3.177 1.00 0.00 C ATOM 547 O GLU A 82 -11.769 -2.040 3.367 1.00 0.00 O ATOM 548 CB GLU A 82 -14.280 0.029 4.133 1.00 0.00 C ATOM 549 CG GLU A 82 -13.357 0.328 5.301 1.00 0.00 C ATOM 550 CD GLU A 82 -14.069 0.978 6.465 1.00 0.00 C ATOM 551 OE1 GLU A 82 -14.361 2.188 6.381 1.00 0.00 O ATOM 552 OE2 GLU A 82 -14.361 0.280 7.455 1.00 0.00 O ATOM 0 HA GLU A 82 -12.690 0.166 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.824 0.935 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.021 -0.708 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.894 -0.600 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.553 0.982 4.963 1.00 0.00 H new ATOM 559 N GLU A 83 -13.838 -2.895 3.190 1.00 0.00 N ATOM 560 CA GLU A 83 -13.396 -4.273 3.392 1.00 0.00 C ATOM 561 C GLU A 83 -12.433 -4.713 2.283 1.00 0.00 C ATOM 562 O GLU A 83 -11.469 -5.433 2.541 1.00 0.00 O ATOM 563 CB GLU A 83 -14.601 -5.233 3.482 1.00 0.00 C ATOM 564 CG GLU A 83 -15.383 -5.410 2.183 1.00 0.00 C ATOM 565 CD GLU A 83 -15.927 -4.109 1.631 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.899 -3.582 2.206 1.00 0.00 O ATOM 567 OE2 GLU A 83 -15.409 -3.626 0.608 1.00 0.00 O ATOM 0 H GLU A 83 -14.844 -2.788 3.064 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.859 -4.313 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.245 -6.210 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.281 -4.867 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.736 -5.871 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.211 -6.098 2.356 1.00 0.00 H new ATOM 574 N GLU A 84 -12.691 -4.272 1.054 1.00 0.00 N ATOM 575 CA GLU A 84 -11.805 -4.570 -0.064 1.00 0.00 C ATOM 576 C GLU A 84 -10.464 -3.871 0.104 1.00 0.00 C ATOM 577 O GLU A 84 -9.423 -4.428 -0.235 1.00 0.00 O ATOM 578 CB GLU A 84 -12.438 -4.169 -1.396 1.00 0.00 C ATOM 579 CG GLU A 84 -13.558 -5.096 -1.827 1.00 0.00 C ATOM 580 CD GLU A 84 -13.907 -4.958 -3.294 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.221 -5.569 -4.137 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.863 -4.214 -3.612 1.00 0.00 O ATOM 0 H GLU A 84 -13.505 -3.708 0.809 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.641 -5.648 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.826 -3.154 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.668 -4.156 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.268 -6.127 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.444 -4.890 -1.227 1.00 0.00 H new ATOM 589 N ILE A 85 -10.493 -2.653 0.636 1.00 0.00 N ATOM 590 CA ILE A 85 -9.272 -1.916 0.899 1.00 0.00 C ATOM 591 C ILE A 85 -8.456 -2.638 1.969 1.00 0.00 C ATOM 592 O ILE A 85 -7.237 -2.729 1.870 1.00 0.00 O ATOM 593 CB ILE A 85 -9.545 -0.452 1.328 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.408 0.268 0.284 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.235 0.307 1.531 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.790 0.311 -1.102 1.00 0.00 C ATOM 0 H ILE A 85 -11.349 -2.160 0.891 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.706 -1.874 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.086 -0.477 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.377 -0.228 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.592 1.288 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.451 1.332 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.647 -0.183 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.670 0.314 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.460 0.836 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.834 0.834 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.631 -0.706 -1.461 1.00 0.00 H new ATOM 608 N ARG A 86 -9.143 -3.199 2.966 1.00 0.00 N ATOM 609 CA ARG A 86 -8.471 -3.963 4.015 1.00 0.00 C ATOM 610 C ARG A 86 -7.872 -5.235 3.426 1.00 0.00 C ATOM 611 O ARG A 86 -6.749 -5.627 3.756 1.00 0.00 O ATOM 612 CB ARG A 86 -9.446 -4.343 5.133 1.00 0.00 C ATOM 613 CG ARG A 86 -10.144 -3.165 5.792 1.00 0.00 C ATOM 614 CD ARG A 86 -11.034 -3.630 6.935 1.00 0.00 C ATOM 615 NE ARG A 86 -11.883 -2.560 7.461 1.00 0.00 N ATOM 616 CZ ARG A 86 -12.525 -2.626 8.632 1.00 0.00 C ATOM 617 NH1 ARG A 86 -12.331 -3.657 9.446 1.00 0.00 N ATOM 618 NH2 ARG A 86 -13.356 -1.655 8.994 1.00 0.00 N ATOM 0 H ARG A 86 -10.156 -3.139 3.068 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.683 -3.336 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.202 -5.014 4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.903 -4.900 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.401 -2.461 6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.743 -2.633 5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.663 -4.451 6.590 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.411 -4.022 7.739 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.991 -1.714 6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.690 -4.404 9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.823 -3.702 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.506 -0.856 8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.844 -1.708 9.888 1.00 0.00 H new ATOM 632 N GLU A 87 -8.643 -5.875 2.552 1.00 0.00 N ATOM 633 CA GLU A 87 -8.194 -7.065 1.847 1.00 0.00 C ATOM 634 C GLU A 87 -6.959 -6.725 1.019 1.00 0.00 C ATOM 635 O GLU A 87 -5.975 -7.461 1.018 1.00 0.00 O ATOM 636 CB GLU A 87 -9.322 -7.586 0.949 1.00 0.00 C ATOM 637 CG GLU A 87 -9.487 -9.099 0.958 1.00 0.00 C ATOM 638 CD GLU A 87 -8.356 -9.830 0.267 1.00 0.00 C ATOM 639 OE1 GLU A 87 -8.443 -10.039 -0.961 1.00 0.00 O ATOM 640 OE2 GLU A 87 -7.392 -10.221 0.950 1.00 0.00 O ATOM 0 H GLU A 87 -9.591 -5.583 2.315 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.933 -7.845 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.260 -7.129 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.135 -7.259 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.556 -9.444 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.428 -9.358 0.472 1.00 0.00 H new ATOM 647 N ALA A 88 -7.008 -5.574 0.357 1.00 0.00 N ATOM 648 CA ALA A 88 -5.893 -5.092 -0.443 1.00 0.00 C ATOM 649 C ALA A 88 -4.660 -4.872 0.426 1.00 0.00 C ATOM 650 O ALA A 88 -3.549 -5.196 0.022 1.00 0.00 O ATOM 651 CB ALA A 88 -6.272 -3.805 -1.161 1.00 0.00 C ATOM 0 H ALA A 88 -7.818 -4.954 0.361 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.655 -5.850 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.427 -3.457 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.124 -3.991 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.537 -3.044 -0.427 1.00 0.00 H new ATOM 657 N PHE A 89 -4.865 -4.325 1.622 1.00 0.00 N ATOM 658 CA PHE A 89 -3.778 -4.132 2.579 1.00 0.00 C ATOM 659 C PHE A 89 -3.098 -5.452 2.924 1.00 0.00 C ATOM 660 O PHE A 89 -1.893 -5.488 3.163 1.00 0.00 O ATOM 661 CB PHE A 89 -4.284 -3.443 3.853 1.00 0.00 C ATOM 662 CG PHE A 89 -4.188 -1.941 3.800 1.00 0.00 C ATOM 663 CD1 PHE A 89 -5.072 -1.207 3.027 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.229 -1.262 4.532 1.00 0.00 C ATOM 665 CE1 PHE A 89 -5.002 0.173 2.986 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.152 0.117 4.493 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.985 0.830 3.683 1.00 0.00 C ATOM 0 H PHE A 89 -5.776 -4.007 1.952 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.039 -3.486 2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.322 -3.727 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.710 -3.806 4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.826 -1.720 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.532 -1.818 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.727 0.738 2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.428 0.632 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.859 1.898 3.581 1.00 0.00 H new ATOM 677 N ARG A 90 -3.864 -6.538 2.965 1.00 0.00 N ATOM 678 CA ARG A 90 -3.285 -7.860 3.181 1.00 0.00 C ATOM 679 C ARG A 90 -2.518 -8.329 1.948 1.00 0.00 C ATOM 680 O ARG A 90 -1.456 -8.941 2.061 1.00 0.00 O ATOM 681 CB ARG A 90 -4.371 -8.892 3.497 1.00 0.00 C ATOM 682 CG ARG A 90 -5.281 -8.521 4.653 1.00 0.00 C ATOM 683 CD ARG A 90 -6.173 -9.690 5.048 1.00 0.00 C ATOM 684 NE ARG A 90 -6.814 -10.316 3.889 1.00 0.00 N ATOM 685 CZ ARG A 90 -7.573 -11.410 3.959 1.00 0.00 C ATOM 686 NH1 ARG A 90 -7.854 -11.961 5.131 1.00 0.00 N ATOM 687 NH2 ARG A 90 -8.065 -11.942 2.849 1.00 0.00 N ATOM 0 H ARG A 90 -4.878 -6.530 2.853 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.604 -7.775 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.981 -9.042 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.893 -9.846 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.680 -8.214 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.898 -7.667 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.579 -10.434 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.939 -9.342 5.740 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.671 -9.889 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.489 -11.548 5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.435 -12.798 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.863 -11.514 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.646 -12.779 2.899 1.00 0.00 H new ATOM 701 N VAL A 91 -3.065 -8.032 0.773 1.00 0.00 N ATOM 702 CA VAL A 91 -2.508 -8.519 -0.482 1.00 0.00 C ATOM 703 C VAL A 91 -1.247 -7.753 -0.851 1.00 0.00 C ATOM 704 O VAL A 91 -0.236 -8.345 -1.206 1.00 0.00 O ATOM 705 CB VAL A 91 -3.525 -8.407 -1.642 1.00 0.00 C ATOM 706 CG1 VAL A 91 -2.919 -8.907 -2.948 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.795 -9.175 -1.316 1.00 0.00 C ATOM 0 H VAL A 91 -3.898 -7.453 0.665 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.265 -9.571 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.780 -7.355 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.654 -8.818 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.041 -8.310 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.628 -9.952 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.498 -9.084 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.554 -10.226 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.245 -8.766 -0.411 1.00 0.00 H new ATOM 717 N PHE A 92 -1.303 -6.439 -0.722 1.00 0.00 N ATOM 718 CA PHE A 92 -0.207 -5.565 -1.125 1.00 0.00 C ATOM 719 C PHE A 92 0.933 -5.558 -0.108 1.00 0.00 C ATOM 720 O PHE A 92 1.772 -4.662 -0.116 1.00 0.00 O ATOM 721 CB PHE A 92 -0.710 -4.148 -1.384 1.00 0.00 C ATOM 722 CG PHE A 92 -1.507 -4.025 -2.652 1.00 0.00 C ATOM 723 CD1 PHE A 92 -0.910 -4.217 -3.886 1.00 0.00 C ATOM 724 CD2 PHE A 92 -2.856 -3.712 -2.608 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.642 -4.099 -5.052 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.594 -3.593 -3.771 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.977 -3.808 -5.002 1.00 0.00 C ATOM 0 H PHE A 92 -2.107 -5.945 -0.336 1.00 0.00 H new ATOM 0 HA PHE A 92 0.196 -5.967 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.326 -3.829 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.142 -3.470 -1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.141 -4.462 -3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.337 -3.559 -1.653 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.157 -4.237 -6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.642 -3.335 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.552 -3.745 -5.914 1.00 0.00 H new ATOM 737 N ASP A 93 0.947 -6.549 0.772 1.00 0.00 N ATOM 738 CA ASP A 93 1.950 -6.638 1.825 1.00 0.00 C ATOM 739 C ASP A 93 2.639 -7.998 1.741 1.00 0.00 C ATOM 740 O ASP A 93 1.992 -9.019 1.499 1.00 0.00 O ATOM 741 CB ASP A 93 1.287 -6.468 3.197 1.00 0.00 C ATOM 742 CG ASP A 93 2.265 -6.264 4.347 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.421 -6.725 4.290 1.00 0.00 O ATOM 744 OD2 ASP A 93 1.878 -5.665 5.350 1.00 0.00 O ATOM 0 H ASP A 93 0.268 -7.310 0.777 1.00 0.00 H new ATOM 0 HA ASP A 93 2.688 -5.846 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.610 -5.615 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.679 -7.348 3.405 1.00 0.00 H new ATOM 749 N LYS A 94 3.952 -7.998 1.945 1.00 0.00 N ATOM 750 CA LYS A 94 4.752 -9.217 1.888 1.00 0.00 C ATOM 751 C LYS A 94 4.485 -10.075 3.116 1.00 0.00 C ATOM 752 O LYS A 94 4.512 -11.303 3.054 1.00 0.00 O ATOM 753 CB LYS A 94 6.241 -8.864 1.836 1.00 0.00 C ATOM 754 CG LYS A 94 6.663 -8.122 0.580 1.00 0.00 C ATOM 755 CD LYS A 94 7.890 -7.235 0.810 1.00 0.00 C ATOM 756 CE LYS A 94 9.177 -8.017 1.068 1.00 0.00 C ATOM 757 NZ LYS A 94 9.193 -8.679 2.401 1.00 0.00 N ATOM 0 H LYS A 94 4.490 -7.157 2.154 1.00 0.00 H new ATOM 0 HA LYS A 94 4.477 -9.772 0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.489 -8.254 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.823 -9.782 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.882 -8.843 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.834 -7.507 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.033 -6.596 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.698 -6.579 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.300 -8.772 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.029 -7.341 0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.158 -8.655 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.548 -8.178 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.885 -9.667 2.302 1.00 0.00 H new ATOM 771 N ASP A 95 4.247 -9.402 4.232 1.00 0.00 N ATOM 772 CA ASP A 95 4.040 -10.066 5.516 1.00 0.00 C ATOM 773 C ASP A 95 2.665 -9.760 6.099 1.00 0.00 C ATOM 774 O ASP A 95 2.391 -10.054 7.263 1.00 0.00 O ATOM 775 CB ASP A 95 5.129 -9.645 6.505 1.00 0.00 C ATOM 776 CG ASP A 95 5.442 -8.166 6.418 1.00 0.00 C ATOM 777 OD1 ASP A 95 4.517 -7.339 6.582 1.00 0.00 O ATOM 778 OD2 ASP A 95 6.611 -7.815 6.161 1.00 0.00 O ATOM 0 H ASP A 95 4.192 -8.384 4.276 1.00 0.00 H new ATOM 0 HA ASP A 95 4.096 -11.141 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.810 -9.888 7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.035 -10.218 6.310 1.00 0.00 H new ATOM 783 N GLY A 96 1.809 -9.185 5.252 1.00 0.00 N ATOM 784 CA GLY A 96 0.432 -8.857 5.608 1.00 0.00 C ATOM 785 C GLY A 96 0.234 -8.249 6.986 1.00 0.00 C ATOM 786 O GLY A 96 -0.688 -8.646 7.695 1.00 0.00 O ATOM 0 H GLY A 96 2.056 -8.933 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.040 -8.162 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.167 -9.765 5.543 1.00 0.00 H new ATOM 790 N ASN A 97 1.060 -7.278 7.374 1.00 0.00 N ATOM 791 CA ASN A 97 0.918 -6.644 8.689 1.00 0.00 C ATOM 792 C ASN A 97 -0.209 -5.615 8.694 1.00 0.00 C ATOM 793 O ASN A 97 -0.419 -4.920 9.687 1.00 0.00 O ATOM 794 CB ASN A 97 2.234 -5.988 9.148 1.00 0.00 C ATOM 795 CG ASN A 97 2.671 -4.815 8.280 1.00 0.00 C ATOM 796 OD1 ASN A 97 2.325 -3.603 8.680 1.00 0.00 O flip ATOM 797 ND2 ASN A 97 3.351 -4.999 7.273 1.00 0.00 N flip ATOM 0 H ASN A 97 1.826 -6.915 6.807 1.00 0.00 H new ATOM 0 HA ASN A 97 0.666 -7.436 9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.119 -5.644 10.176 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.023 -6.740 9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.600 -5.947 6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.666 -4.203 6.718 1.00 0.00 H new ATOM 804 N GLY A 98 -0.938 -5.523 7.590 1.00 0.00 N ATOM 805 CA GLY A 98 -2.090 -4.645 7.546 1.00 0.00 C ATOM 806 C GLY A 98 -1.737 -3.253 7.085 1.00 0.00 C ATOM 807 O GLY A 98 -2.461 -2.298 7.367 1.00 0.00 O ATOM 0 H GLY A 98 -0.754 -6.037 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.839 -5.067 6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.541 -4.593 8.537 1.00 0.00 H new ATOM 811 N TYR A 99 -0.628 -3.143 6.365 1.00 0.00 N ATOM 812 CA TYR A 99 -0.140 -1.863 5.877 1.00 0.00 C ATOM 813 C TYR A 99 0.629 -2.061 4.583 1.00 0.00 C ATOM 814 O TYR A 99 1.328 -3.055 4.409 1.00 0.00 O ATOM 815 CB TYR A 99 0.738 -1.151 6.912 1.00 0.00 C ATOM 816 CG TYR A 99 -0.033 -0.528 8.049 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.610 0.727 7.915 1.00 0.00 C ATOM 818 CD2 TYR A 99 -0.176 -1.193 9.259 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.302 1.307 8.956 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.871 -0.623 10.308 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.479 0.609 10.132 1.00 0.00 C ATOM 822 OH TYR A 99 -2.124 1.210 11.195 1.00 0.00 O ATOM 0 H TYR A 99 -0.044 -3.937 6.104 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.006 -1.227 5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.452 -1.866 7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.316 -0.375 6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.515 1.258 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.263 -2.172 9.382 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.704 2.304 8.851 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.940 -1.134 11.257 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.168 0.584 11.948 1.00 0.00 H new ATOM 832 N ILE A 100 0.505 -1.109 3.685 1.00 0.00 N ATOM 833 CA ILE A 100 1.075 -1.236 2.359 1.00 0.00 C ATOM 834 C ILE A 100 2.260 -0.289 2.198 1.00 0.00 C ATOM 835 O ILE A 100 2.095 0.918 2.065 1.00 0.00 O ATOM 836 CB ILE A 100 0.000 -0.941 1.287 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.191 -1.890 1.472 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.574 -1.068 -0.119 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.358 -1.607 0.550 1.00 0.00 C ATOM 0 H ILE A 100 0.011 -0.232 3.849 1.00 0.00 H new ATOM 0 HA ILE A 100 1.429 -2.258 2.227 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.340 0.087 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.854 -2.914 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.534 -1.827 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.205 -0.855 -0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.392 -0.359 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.946 -2.081 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.157 -2.322 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.724 -0.596 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.034 -1.699 -0.486 1.00 0.00 H new ATOM 851 N SER A 101 3.460 -0.835 2.251 1.00 0.00 N ATOM 852 CA SER A 101 4.662 -0.038 2.076 1.00 0.00 C ATOM 853 C SER A 101 5.266 -0.312 0.699 1.00 0.00 C ATOM 854 O SER A 101 4.713 -1.091 -0.074 1.00 0.00 O ATOM 855 CB SER A 101 5.670 -0.333 3.196 1.00 0.00 C ATOM 856 OG SER A 101 6.811 0.511 3.115 1.00 0.00 O ATOM 0 H SER A 101 3.630 -1.827 2.414 1.00 0.00 H new ATOM 0 HA SER A 101 4.404 1.019 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.187 -0.200 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.984 -1.375 3.137 1.00 0.00 H new ATOM 0 HG SER A 101 6.727 1.238 3.767 1.00 0.00 H new ATOM 862 N ALA A 102 6.385 0.321 0.389 1.00 0.00 N ATOM 863 CA ALA A 102 6.967 0.219 -0.943 1.00 0.00 C ATOM 864 C ALA A 102 7.503 -1.180 -1.230 1.00 0.00 C ATOM 865 O ALA A 102 7.141 -1.787 -2.239 1.00 0.00 O ATOM 866 CB ALA A 102 8.059 1.247 -1.118 1.00 0.00 C ATOM 0 H ALA A 102 6.909 0.909 1.037 1.00 0.00 H new ATOM 0 HA ALA A 102 6.171 0.415 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.485 1.159 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.643 2.246 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.839 1.079 -0.375 1.00 0.00 H new ATOM 872 N ALA A 103 8.384 -1.677 -0.361 1.00 0.00 N ATOM 873 CA ALA A 103 8.888 -3.047 -0.476 1.00 0.00 C ATOM 874 C ALA A 103 7.742 -4.039 -0.623 1.00 0.00 C ATOM 875 O ALA A 103 7.786 -4.943 -1.461 1.00 0.00 O ATOM 876 CB ALA A 103 9.745 -3.400 0.728 1.00 0.00 C ATOM 0 H ALA A 103 8.763 -1.154 0.428 1.00 0.00 H new ATOM 0 HA ALA A 103 9.505 -3.107 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.112 -4.421 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.591 -2.715 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.148 -3.317 1.636 1.00 0.00 H new ATOM 882 N GLU A 104 6.712 -3.836 0.187 1.00 0.00 N ATOM 883 CA GLU A 104 5.503 -4.645 0.134 1.00 0.00 C ATOM 884 C GLU A 104 4.905 -4.581 -1.258 1.00 0.00 C ATOM 885 O GLU A 104 4.684 -5.607 -1.910 1.00 0.00 O ATOM 886 CB GLU A 104 4.471 -4.102 1.109 1.00 0.00 C ATOM 887 CG GLU A 104 5.063 -3.608 2.418 1.00 0.00 C ATOM 888 CD GLU A 104 5.423 -4.714 3.379 1.00 0.00 C ATOM 889 OE1 GLU A 104 6.136 -5.650 2.988 1.00 0.00 O ATOM 890 OE2 GLU A 104 4.972 -4.653 4.544 1.00 0.00 O ATOM 0 H GLU A 104 6.691 -3.106 0.899 1.00 0.00 H new ATOM 0 HA GLU A 104 5.764 -5.671 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.931 -3.283 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.741 -4.883 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.956 -3.021 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.349 -2.939 2.899 1.00 0.00 H new ATOM 897 N LEU A 105 4.705 -3.344 -1.710 1.00 0.00 N ATOM 898 CA LEU A 105 4.026 -3.074 -2.956 1.00 0.00 C ATOM 899 C LEU A 105 4.770 -3.735 -4.097 1.00 0.00 C ATOM 900 O LEU A 105 4.193 -4.489 -4.850 1.00 0.00 O ATOM 901 CB LEU A 105 3.925 -1.561 -3.193 1.00 0.00 C ATOM 902 CG LEU A 105 3.032 -1.140 -4.362 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.625 -1.690 -4.187 1.00 0.00 C ATOM 904 CD2 LEU A 105 2.996 0.374 -4.480 1.00 0.00 C ATOM 0 H LEU A 105 5.013 -2.507 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 105 3.017 -3.482 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.550 -1.092 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.928 -1.169 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 105 3.450 -1.552 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.006 -1.379 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.662 -2.779 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.197 -1.307 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.357 0.659 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.600 0.801 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.005 0.750 -4.650 1.00 0.00 H new ATOM 916 N ARG A 106 6.074 -3.510 -4.171 1.00 0.00 N ATOM 917 CA ARG A 106 6.856 -4.021 -5.288 1.00 0.00 C ATOM 918 C ARG A 106 6.832 -5.541 -5.341 1.00 0.00 C ATOM 919 O ARG A 106 6.420 -6.107 -6.352 1.00 0.00 O ATOM 920 CB ARG A 106 8.298 -3.526 -5.259 1.00 0.00 C ATOM 921 CG ARG A 106 8.458 -2.100 -5.752 1.00 0.00 C ATOM 922 CD ARG A 106 9.893 -1.816 -6.157 1.00 0.00 C ATOM 923 NE ARG A 106 10.081 -0.429 -6.573 1.00 0.00 N ATOM 924 CZ ARG A 106 11.220 0.049 -7.074 1.00 0.00 C ATOM 925 NH1 ARG A 106 12.265 -0.753 -7.240 1.00 0.00 N ATOM 926 NH2 ARG A 106 11.308 1.330 -7.404 1.00 0.00 N ATOM 0 H ARG A 106 6.608 -2.983 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 106 6.384 -3.632 -6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.677 -3.594 -4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.913 -4.185 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.797 -1.930 -6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.154 -1.406 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.556 -2.036 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.178 -2.481 -6.973 1.00 0.00 H new ATOM 0 HE ARG A 106 9.294 0.212 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.198 -1.738 -6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.135 -0.384 -7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.506 1.946 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.178 1.699 -7.788 1.00 0.00 H new ATOM 940 N HIS A 107 7.256 -6.184 -4.249 1.00 0.00 N ATOM 941 CA HIS A 107 7.354 -7.649 -4.184 1.00 0.00 C ATOM 942 C HIS A 107 6.069 -8.317 -4.633 1.00 0.00 C ATOM 943 O HIS A 107 6.087 -9.335 -5.323 1.00 0.00 O ATOM 944 CB HIS A 107 7.674 -8.110 -2.760 1.00 0.00 C ATOM 945 CG HIS A 107 7.968 -9.578 -2.650 1.00 0.00 C ATOM 946 ND1 HIS A 107 7.045 -10.506 -2.210 1.00 0.00 N ATOM 947 CD2 HIS A 107 9.093 -10.280 -2.930 1.00 0.00 C ATOM 948 CE1 HIS A 107 7.590 -11.706 -2.222 1.00 0.00 C ATOM 949 NE2 HIS A 107 8.829 -11.598 -2.656 1.00 0.00 N ATOM 0 H HIS A 107 7.539 -5.711 -3.391 1.00 0.00 H new ATOM 0 HA HIS A 107 8.160 -7.940 -4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.532 -7.548 -2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.832 -7.868 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.024 -9.877 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 107 7.103 -12.623 -1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.486 -12.370 -2.770 1.00 0.00 H new ATOM 958 N VAL A 108 4.963 -7.743 -4.222 1.00 0.00 N ATOM 959 CA VAL A 108 3.678 -8.340 -4.503 1.00 0.00 C ATOM 960 C VAL A 108 3.150 -7.897 -5.871 1.00 0.00 C ATOM 961 O VAL A 108 2.565 -8.686 -6.610 1.00 0.00 O ATOM 962 CB VAL A 108 2.663 -8.043 -3.389 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.179 -6.603 -3.438 1.00 0.00 C ATOM 964 CG2 VAL A 108 1.506 -9.024 -3.470 1.00 0.00 C ATOM 0 H VAL A 108 4.926 -6.870 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 108 3.818 -9.421 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 108 3.160 -8.171 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.463 -6.432 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.028 -5.930 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.699 -6.413 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.790 -8.808 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.015 -8.929 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.882 -10.040 -3.352 1.00 0.00 H new ATOM 974 N MET A 109 3.376 -6.629 -6.195 1.00 0.00 N ATOM 975 CA MET A 109 2.834 -6.020 -7.397 1.00 0.00 C ATOM 976 C MET A 109 3.498 -6.577 -8.658 1.00 0.00 C ATOM 977 O MET A 109 2.884 -7.358 -9.388 1.00 0.00 O ATOM 978 CB MET A 109 3.018 -4.497 -7.315 1.00 0.00 C ATOM 979 CG MET A 109 2.224 -3.699 -8.330 1.00 0.00 C ATOM 980 SD MET A 109 2.641 -1.939 -8.304 1.00 0.00 S ATOM 981 CE MET A 109 4.367 -1.984 -8.787 1.00 0.00 C ATOM 0 H MET A 109 3.941 -5.996 -5.629 1.00 0.00 H new ATOM 0 HA MET A 109 1.772 -6.258 -7.462 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.737 -4.166 -6.315 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.076 -4.267 -7.442 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.409 -4.099 -9.327 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.159 -3.820 -8.131 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.662 -1.009 -9.174 1.00 0.00 H new ATOM 0 HE2 MET A 109 4.981 -2.232 -7.921 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.509 -2.739 -9.560 1.00 0.00 H new ATOM 991 N THR A 110 4.746 -6.186 -8.914 1.00 0.00 N ATOM 992 CA THR A 110 5.441 -6.617 -10.125 1.00 0.00 C ATOM 993 C THR A 110 6.873 -7.086 -9.842 1.00 0.00 C ATOM 994 O THR A 110 7.310 -8.123 -10.339 1.00 0.00 O ATOM 995 CB THR A 110 5.482 -5.471 -11.161 1.00 0.00 C ATOM 996 OG1 THR A 110 4.152 -5.001 -11.424 1.00 0.00 O ATOM 997 CG2 THR A 110 6.127 -5.926 -12.464 1.00 0.00 C ATOM 0 H THR A 110 5.292 -5.577 -8.305 1.00 0.00 H new ATOM 0 HA THR A 110 4.880 -7.463 -10.522 1.00 0.00 H new ATOM 0 HB THR A 110 6.083 -4.663 -10.744 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.186 -4.274 -12.080 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.141 -5.097 -13.172 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.148 -6.254 -12.269 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.554 -6.753 -12.884 1.00 0.00 H new ATOM 1005 N ASN A 111 7.579 -6.333 -9.008 1.00 0.00 N ATOM 1006 CA ASN A 111 9.027 -6.477 -8.869 1.00 0.00 C ATOM 1007 C ASN A 111 9.399 -7.170 -7.574 1.00 0.00 C ATOM 1008 O ASN A 111 8.541 -7.701 -6.873 1.00 0.00 O ATOM 1009 CB ASN A 111 9.698 -5.100 -8.925 1.00 0.00 C ATOM 1010 CG ASN A 111 9.333 -4.313 -10.169 1.00 0.00 C ATOM 1011 OD1 ASN A 111 8.330 -3.598 -10.193 1.00 0.00 O ATOM 1012 ND2 ASN A 111 10.140 -4.433 -11.211 1.00 0.00 N ATOM 0 H ASN A 111 7.171 -5.611 -8.413 1.00 0.00 H new ATOM 0 HA ASN A 111 9.378 -7.094 -9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.413 -4.527 -8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.780 -5.227 -8.887 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.941 -3.924 -12.072 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.961 -5.035 -11.153 1.00 0.00 H new