USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=7 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 62 THR OG1 : rot 94:sc= 0.485 USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.646 USER MOD Single : A 49 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.084) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.911 K(o=-0.91,f=-0.0021) USER MOD Single : A 60 ASN : amide:sc= -1.73! C(o=-1.7!,f=-4.8!) USER MOD Single : A 70 THR OG1 : rot 88:sc= 1.01 USER MOD Single : A 71 MET CE :methyl -167:sc= -0.0329 (180deg=-0.277) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -1.73 (180deg=-2.55) USER MOD Single : A 97 ASN : amide:sc= -0.92 K(o=-0.92,f=-1.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.934 X(o=-0.93,f=-0.89) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -25:sc= 0.259 USER MOD Single : A 111 ASN : amide:sc= -2.53! C(o=-2.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 13.967 0.253 -3.100 1.00 0.00 N ATOM 29 CA LEU A 48 12.697 0.145 -2.393 1.00 0.00 C ATOM 30 C LEU A 48 12.573 1.214 -1.317 1.00 0.00 C ATOM 31 O LEU A 48 11.470 1.551 -0.901 1.00 0.00 O ATOM 32 CB LEU A 48 12.523 -1.262 -1.801 1.00 0.00 C ATOM 33 CG LEU A 48 12.240 -2.346 -2.841 1.00 0.00 C ATOM 34 CD1 LEU A 48 12.222 -3.721 -2.198 1.00 0.00 C ATOM 35 CD2 LEU A 48 10.916 -2.067 -3.539 1.00 0.00 C ATOM 0 HA LEU A 48 11.895 0.310 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.426 -1.528 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.706 -1.243 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 48 13.039 -2.331 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.019 -4.475 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.190 -3.920 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.444 -3.756 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.723 -2.845 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.112 -2.058 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.964 -1.098 -4.036 1.00 0.00 H new ATOM 47 N GLN A 49 13.708 1.757 -0.887 1.00 0.00 N ATOM 48 CA GLN A 49 13.710 2.859 0.066 1.00 0.00 C ATOM 49 C GLN A 49 13.147 4.121 -0.582 1.00 0.00 C ATOM 50 O GLN A 49 12.372 4.853 0.031 1.00 0.00 O ATOM 51 CB GLN A 49 15.125 3.133 0.579 1.00 0.00 C ATOM 52 CG GLN A 49 15.173 4.198 1.663 1.00 0.00 C ATOM 53 CD GLN A 49 14.471 3.762 2.934 1.00 0.00 C ATOM 54 OE1 GLN A 49 13.882 4.578 3.641 1.00 0.00 O ATOM 55 NE2 GLN A 49 14.560 2.480 3.251 1.00 0.00 N ATOM 0 H GLN A 49 14.635 1.452 -1.183 1.00 0.00 H new ATOM 0 HA GLN A 49 13.081 2.576 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.549 2.208 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.753 3.445 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.212 4.436 1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.710 5.112 1.291 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.058 1.836 2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.131 2.136 4.110 1.00 0.00 H new ATOM 64 N ASP A 50 13.526 4.360 -1.833 1.00 0.00 N ATOM 65 CA ASP A 50 13.064 5.543 -2.555 1.00 0.00 C ATOM 66 C ASP A 50 11.560 5.488 -2.750 1.00 0.00 C ATOM 67 O ASP A 50 10.871 6.506 -2.658 1.00 0.00 O ATOM 68 CB ASP A 50 13.748 5.675 -3.916 1.00 0.00 C ATOM 69 CG ASP A 50 15.204 6.074 -3.812 1.00 0.00 C ATOM 70 OD1 ASP A 50 15.496 7.163 -3.272 1.00 0.00 O ATOM 71 OD2 ASP A 50 16.066 5.309 -4.287 1.00 0.00 O ATOM 0 H ASP A 50 14.149 3.754 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 50 13.325 6.414 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.675 4.726 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.216 6.416 -4.513 1.00 0.00 H new ATOM 76 N MET A 51 11.048 4.288 -3.000 1.00 0.00 N ATOM 77 CA MET A 51 9.619 4.099 -3.182 1.00 0.00 C ATOM 78 C MET A 51 8.892 4.368 -1.865 1.00 0.00 C ATOM 79 O MET A 51 7.758 4.845 -1.855 1.00 0.00 O ATOM 80 CB MET A 51 9.330 2.681 -3.684 1.00 0.00 C ATOM 81 CG MET A 51 7.888 2.465 -4.122 1.00 0.00 C ATOM 82 SD MET A 51 7.448 3.429 -5.583 1.00 0.00 S ATOM 83 CE MET A 51 5.747 2.920 -5.822 1.00 0.00 C ATOM 0 H MET A 51 11.602 3.435 -3.081 1.00 0.00 H new ATOM 0 HA MET A 51 9.256 4.803 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.991 2.461 -4.522 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.570 1.970 -2.893 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.731 1.407 -4.330 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.221 2.731 -3.302 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.333 3.431 -6.691 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.709 1.843 -5.982 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.163 3.176 -4.938 1.00 0.00 H new ATOM 93 N ILE A 52 9.562 4.072 -0.749 1.00 0.00 N ATOM 94 CA ILE A 52 9.029 4.389 0.572 1.00 0.00 C ATOM 95 C ILE A 52 8.897 5.899 0.711 1.00 0.00 C ATOM 96 O ILE A 52 7.858 6.410 1.115 1.00 0.00 O ATOM 97 CB ILE A 52 9.942 3.875 1.716 1.00 0.00 C ATOM 98 CG1 ILE A 52 10.017 2.349 1.717 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.447 4.379 3.067 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.935 1.786 2.778 1.00 0.00 C ATOM 0 H ILE A 52 10.473 3.614 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 52 8.062 3.894 0.657 1.00 0.00 H new ATOM 0 HB ILE A 52 10.945 4.266 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.015 1.945 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.357 2.010 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.101 4.007 3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.454 5.469 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.432 4.022 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.937 0.698 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.947 2.160 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.584 2.094 3.763 1.00 0.00 H new ATOM 112 N ASN A 53 9.952 6.599 0.320 1.00 0.00 N ATOM 113 CA ASN A 53 10.021 8.049 0.468 1.00 0.00 C ATOM 114 C ASN A 53 8.992 8.733 -0.423 1.00 0.00 C ATOM 115 O ASN A 53 8.566 9.854 -0.152 1.00 0.00 O ATOM 116 CB ASN A 53 11.419 8.562 0.125 1.00 0.00 C ATOM 117 CG ASN A 53 12.505 8.018 1.040 1.00 0.00 C ATOM 118 OD1 ASN A 53 13.645 7.830 0.614 1.00 0.00 O ATOM 119 ND2 ASN A 53 12.172 7.782 2.301 1.00 0.00 N ATOM 0 H ASN A 53 10.780 6.183 -0.106 1.00 0.00 H new ATOM 0 HA ASN A 53 9.802 8.288 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.654 8.293 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.421 9.651 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.871 7.432 2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.217 7.950 2.616 1.00 0.00 H new ATOM 126 N GLU A 54 8.600 8.054 -1.490 1.00 0.00 N ATOM 127 CA GLU A 54 7.603 8.575 -2.414 1.00 0.00 C ATOM 128 C GLU A 54 6.201 8.444 -1.820 1.00 0.00 C ATOM 129 O GLU A 54 5.352 9.321 -1.991 1.00 0.00 O ATOM 130 CB GLU A 54 7.682 7.793 -3.733 1.00 0.00 C ATOM 131 CG GLU A 54 6.781 8.330 -4.835 1.00 0.00 C ATOM 132 CD GLU A 54 7.261 9.651 -5.398 1.00 0.00 C ATOM 133 OE1 GLU A 54 7.205 10.667 -4.679 1.00 0.00 O ATOM 134 OE2 GLU A 54 7.696 9.681 -6.568 1.00 0.00 O ATOM 0 H GLU A 54 8.960 7.133 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 54 7.804 9.631 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.713 7.803 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.421 6.752 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.724 7.597 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.771 8.453 -4.444 1.00 0.00 H new ATOM 141 N VAL A 55 5.983 7.360 -1.090 1.00 0.00 N ATOM 142 CA VAL A 55 4.643 7.004 -0.642 1.00 0.00 C ATOM 143 C VAL A 55 4.370 7.462 0.788 1.00 0.00 C ATOM 144 O VAL A 55 3.231 7.767 1.149 1.00 0.00 O ATOM 145 CB VAL A 55 4.436 5.477 -0.742 1.00 0.00 C ATOM 146 CG1 VAL A 55 4.896 4.738 0.511 1.00 0.00 C ATOM 147 CG2 VAL A 55 2.990 5.161 -1.066 1.00 0.00 C ATOM 0 H VAL A 55 6.714 6.713 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 55 3.940 7.519 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 55 5.065 5.118 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.727 3.669 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.958 4.921 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.332 5.096 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.860 4.081 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.346 5.556 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.722 5.619 -2.018 1.00 0.00 H new ATOM 157 N ASP A 56 5.420 7.492 1.585 1.00 0.00 N ATOM 158 CA ASP A 56 5.316 7.835 2.993 1.00 0.00 C ATOM 159 C ASP A 56 5.011 9.316 3.200 1.00 0.00 C ATOM 160 O ASP A 56 5.897 10.137 3.440 1.00 0.00 O ATOM 161 CB ASP A 56 6.592 7.428 3.697 1.00 0.00 C ATOM 162 CG ASP A 56 6.524 7.674 5.185 1.00 0.00 C ATOM 163 OD1 ASP A 56 5.464 7.397 5.790 1.00 0.00 O ATOM 164 OD2 ASP A 56 7.524 8.152 5.757 1.00 0.00 O ATOM 0 H ASP A 56 6.369 7.280 1.277 1.00 0.00 H new ATOM 0 HA ASP A 56 4.477 7.289 3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.785 6.371 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.430 7.983 3.276 1.00 0.00 H new ATOM 169 N ALA A 57 3.736 9.628 3.075 1.00 0.00 N ATOM 170 CA ALA A 57 3.234 10.988 3.201 1.00 0.00 C ATOM 171 C ALA A 57 3.168 11.454 4.658 1.00 0.00 C ATOM 172 O ALA A 57 3.483 12.606 4.964 1.00 0.00 O ATOM 173 CB ALA A 57 1.863 11.085 2.548 1.00 0.00 C ATOM 0 H ALA A 57 3.009 8.939 2.881 1.00 0.00 H new ATOM 0 HA ALA A 57 3.934 11.650 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.486 12.104 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.943 10.824 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.176 10.397 3.041 1.00 0.00 H new ATOM 179 N ASP A 58 2.767 10.562 5.555 1.00 0.00 N ATOM 180 CA ASP A 58 2.571 10.943 6.951 1.00 0.00 C ATOM 181 C ASP A 58 3.853 10.754 7.758 1.00 0.00 C ATOM 182 O ASP A 58 4.016 11.344 8.827 1.00 0.00 O ATOM 183 CB ASP A 58 1.438 10.128 7.577 1.00 0.00 C ATOM 184 CG ASP A 58 1.881 8.748 8.005 1.00 0.00 C ATOM 185 OD1 ASP A 58 1.929 7.832 7.149 1.00 0.00 O ATOM 186 OD2 ASP A 58 2.188 8.568 9.199 1.00 0.00 O ATOM 0 H ASP A 58 2.573 9.582 5.347 1.00 0.00 H new ATOM 0 HA ASP A 58 2.302 11.999 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.045 10.664 8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.622 10.037 6.860 1.00 0.00 H new ATOM 191 N GLY A 59 4.764 9.944 7.240 1.00 0.00 N ATOM 192 CA GLY A 59 6.085 9.845 7.828 1.00 0.00 C ATOM 193 C GLY A 59 6.290 8.634 8.721 1.00 0.00 C ATOM 194 O GLY A 59 7.332 8.520 9.365 1.00 0.00 O ATOM 0 H GLY A 59 4.613 9.353 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.824 9.819 7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.278 10.746 8.410 1.00 0.00 H new ATOM 198 N ASN A 60 5.326 7.719 8.772 1.00 0.00 N ATOM 199 CA ASN A 60 5.496 6.505 9.572 1.00 0.00 C ATOM 200 C ASN A 60 6.329 5.456 8.833 1.00 0.00 C ATOM 201 O ASN A 60 6.721 4.444 9.416 1.00 0.00 O ATOM 202 CB ASN A 60 4.153 5.898 10.018 1.00 0.00 C ATOM 203 CG ASN A 60 3.132 5.731 8.905 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.468 5.658 7.720 1.00 0.00 O ATOM 205 ND2 ASN A 60 1.866 5.650 9.288 1.00 0.00 N ATOM 0 H ASN A 60 4.435 7.789 8.280 1.00 0.00 H new ATOM 0 HA ASN A 60 6.034 6.809 10.470 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.342 4.924 10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.724 6.531 10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.130 5.523 8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.627 5.715 10.278 1.00 0.00 H new ATOM 212 N GLY A 61 6.606 5.705 7.561 1.00 0.00 N ATOM 213 CA GLY A 61 7.439 4.801 6.786 1.00 0.00 C ATOM 214 C GLY A 61 6.622 3.794 6.004 1.00 0.00 C ATOM 215 O GLY A 61 7.147 2.789 5.527 1.00 0.00 O ATOM 0 H GLY A 61 6.268 6.519 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.055 5.379 6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.118 4.273 7.455 1.00 0.00 H new ATOM 219 N THR A 62 5.334 4.067 5.871 1.00 0.00 N ATOM 220 CA THR A 62 4.427 3.146 5.210 1.00 0.00 C ATOM 221 C THR A 62 3.181 3.879 4.743 1.00 0.00 C ATOM 222 O THR A 62 2.872 4.977 5.234 1.00 0.00 O ATOM 223 CB THR A 62 4.024 1.988 6.159 1.00 0.00 C ATOM 224 OG1 THR A 62 3.218 1.030 5.460 1.00 0.00 O ATOM 225 CG2 THR A 62 3.261 2.508 7.369 1.00 0.00 C ATOM 0 H THR A 62 4.894 4.921 6.213 1.00 0.00 H new ATOM 0 HA THR A 62 4.944 2.726 4.347 1.00 0.00 H new ATOM 0 HB THR A 62 4.940 1.509 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.789 0.312 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.992 1.673 8.016 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.888 3.208 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.356 3.016 7.037 1.00 0.00 H new ATOM 233 N ILE A 63 2.470 3.286 3.797 1.00 0.00 N ATOM 234 CA ILE A 63 1.203 3.836 3.379 1.00 0.00 C ATOM 235 C ILE A 63 0.136 3.421 4.378 1.00 0.00 C ATOM 236 O ILE A 63 0.178 2.320 4.938 1.00 0.00 O ATOM 237 CB ILE A 63 0.803 3.418 1.939 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.308 4.644 1.173 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.269 2.334 1.946 1.00 0.00 C ATOM 240 CD1 ILE A 63 -0.121 4.345 -0.248 1.00 0.00 C ATOM 0 H ILE A 63 2.750 2.433 3.312 1.00 0.00 H new ATOM 0 HA ILE A 63 1.299 4.921 3.356 1.00 0.00 H new ATOM 0 HB ILE A 63 1.683 3.005 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.532 5.082 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.100 5.393 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.523 2.067 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.107 1.454 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.158 2.705 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.459 5.264 -0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.722 3.935 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.935 3.620 -0.237 1.00 0.00 H new ATOM 252 N ASP A 64 -0.795 4.316 4.614 1.00 0.00 N ATOM 253 CA ASP A 64 -1.836 4.121 5.596 1.00 0.00 C ATOM 254 C ASP A 64 -3.154 4.065 4.863 1.00 0.00 C ATOM 255 O ASP A 64 -3.172 4.234 3.646 1.00 0.00 O ATOM 256 CB ASP A 64 -1.842 5.274 6.600 1.00 0.00 C ATOM 257 CG ASP A 64 -0.628 5.282 7.506 1.00 0.00 C ATOM 258 OD1 ASP A 64 0.508 5.511 7.011 1.00 0.00 O ATOM 259 OD2 ASP A 64 -0.800 5.083 8.721 1.00 0.00 O ATOM 0 H ASP A 64 -0.851 5.209 4.125 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.666 3.197 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.889 6.219 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.743 5.211 7.211 1.00 0.00 H new ATOM 264 N PHE A 65 -4.252 3.850 5.564 1.00 0.00 N ATOM 265 CA PHE A 65 -5.554 3.961 4.927 1.00 0.00 C ATOM 266 C PHE A 65 -5.748 5.368 4.348 1.00 0.00 C ATOM 267 O PHE A 65 -6.063 5.501 3.166 1.00 0.00 O ATOM 268 CB PHE A 65 -6.686 3.585 5.889 1.00 0.00 C ATOM 269 CG PHE A 65 -6.782 2.107 6.121 1.00 0.00 C ATOM 270 CD1 PHE A 65 -7.522 1.311 5.263 1.00 0.00 C ATOM 271 CD2 PHE A 65 -6.118 1.510 7.178 1.00 0.00 C ATOM 272 CE1 PHE A 65 -7.599 -0.054 5.454 1.00 0.00 C ATOM 273 CE2 PHE A 65 -6.193 0.146 7.378 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.932 -0.637 6.514 1.00 0.00 C ATOM 0 H PHE A 65 -4.272 3.603 6.553 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.590 3.248 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.529 4.089 6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.633 3.948 5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.046 1.764 4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.535 2.118 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.179 -0.664 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.674 -0.308 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.989 -1.705 6.667 1.00 0.00 H new ATOM 284 N PRO A 66 -5.533 6.440 5.147 1.00 0.00 N ATOM 285 CA PRO A 66 -5.565 7.813 4.634 1.00 0.00 C ATOM 286 C PRO A 66 -4.698 7.997 3.389 1.00 0.00 C ATOM 287 O PRO A 66 -5.174 8.495 2.363 1.00 0.00 O ATOM 288 CB PRO A 66 -5.008 8.639 5.787 1.00 0.00 C ATOM 289 CG PRO A 66 -5.361 7.863 7.004 1.00 0.00 C ATOM 290 CD PRO A 66 -5.287 6.414 6.606 1.00 0.00 C ATOM 0 HA PRO A 66 -6.570 8.102 4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.929 8.769 5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.448 9.636 5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.671 8.080 7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.360 8.121 7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.314 5.983 6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.034 5.816 7.128 1.00 0.00 H new ATOM 298 N GLU A 67 -3.430 7.584 3.473 1.00 0.00 N ATOM 299 CA GLU A 67 -2.511 7.744 2.348 1.00 0.00 C ATOM 300 C GLU A 67 -2.957 6.924 1.140 1.00 0.00 C ATOM 301 O GLU A 67 -3.140 7.472 0.061 1.00 0.00 O ATOM 302 CB GLU A 67 -1.090 7.344 2.741 1.00 0.00 C ATOM 303 CG GLU A 67 -0.468 8.245 3.791 1.00 0.00 C ATOM 304 CD GLU A 67 0.789 7.643 4.370 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.825 6.455 4.681 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.774 8.366 4.504 1.00 0.00 O ATOM 0 H GLU A 67 -3.023 7.142 4.297 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.522 8.799 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.101 6.320 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.461 7.351 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.237 9.214 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.188 8.423 4.590 1.00 0.00 H new ATOM 313 N PHE A 68 -3.158 5.619 1.329 1.00 0.00 N ATOM 314 CA PHE A 68 -3.444 4.720 0.212 1.00 0.00 C ATOM 315 C PHE A 68 -4.724 5.121 -0.498 1.00 0.00 C ATOM 316 O PHE A 68 -4.746 5.236 -1.717 1.00 0.00 O ATOM 317 CB PHE A 68 -3.544 3.264 0.683 1.00 0.00 C ATOM 318 CG PHE A 68 -3.653 2.261 -0.440 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.516 1.745 -1.043 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.896 1.839 -0.891 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.616 0.829 -2.073 1.00 0.00 C ATOM 322 CE2 PHE A 68 -5.002 0.923 -1.922 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.848 0.409 -2.507 1.00 0.00 C ATOM 0 H PHE A 68 -3.128 5.163 2.241 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.614 4.802 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.667 3.027 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.413 3.162 1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.541 2.063 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.791 2.231 -0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.721 0.442 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.974 0.608 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.922 -0.319 -3.301 1.00 0.00 H new ATOM 333 N LEU A 69 -5.786 5.340 0.267 1.00 0.00 N ATOM 334 CA LEU A 69 -7.061 5.722 -0.307 1.00 0.00 C ATOM 335 C LEU A 69 -6.964 7.012 -1.098 1.00 0.00 C ATOM 336 O LEU A 69 -7.520 7.113 -2.193 1.00 0.00 O ATOM 337 CB LEU A 69 -8.112 5.857 0.786 1.00 0.00 C ATOM 338 CG LEU A 69 -8.851 4.567 1.102 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.442 4.002 -0.178 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.937 3.548 1.766 1.00 0.00 C ATOM 0 H LEU A 69 -5.786 5.259 1.284 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.357 4.933 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.631 6.219 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.837 6.614 0.486 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.652 4.789 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.973 3.076 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.136 4.724 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.642 3.799 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.499 2.638 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.107 3.315 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.549 3.960 2.698 1.00 0.00 H new ATOM 352 N THR A 70 -6.255 7.987 -0.558 1.00 0.00 N ATOM 353 CA THR A 70 -6.141 9.270 -1.215 1.00 0.00 C ATOM 354 C THR A 70 -5.188 9.196 -2.407 1.00 0.00 C ATOM 355 O THR A 70 -5.477 9.734 -3.467 1.00 0.00 O ATOM 356 CB THR A 70 -5.679 10.364 -0.234 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.565 10.397 0.893 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.660 11.732 -0.905 1.00 0.00 C ATOM 0 H THR A 70 -5.754 7.913 0.327 1.00 0.00 H new ATOM 0 HA THR A 70 -7.133 9.535 -1.580 1.00 0.00 H new ATOM 0 HB THR A 70 -4.666 10.128 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.251 9.766 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.330 12.484 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.974 11.712 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.662 11.979 -1.255 1.00 0.00 H new ATOM 366 N MET A 71 -4.055 8.524 -2.225 1.00 0.00 N ATOM 367 CA MET A 71 -3.077 8.339 -3.292 1.00 0.00 C ATOM 368 C MET A 71 -3.637 7.457 -4.399 1.00 0.00 C ATOM 369 O MET A 71 -3.233 7.571 -5.554 1.00 0.00 O ATOM 370 CB MET A 71 -1.770 7.750 -2.755 1.00 0.00 C ATOM 371 CG MET A 71 -1.016 8.693 -1.831 1.00 0.00 C ATOM 372 SD MET A 71 -0.645 10.282 -2.603 1.00 0.00 S ATOM 373 CE MET A 71 0.449 9.775 -3.928 1.00 0.00 C ATOM 0 H MET A 71 -3.790 8.094 -1.339 1.00 0.00 H new ATOM 0 HA MET A 71 -2.860 9.323 -3.709 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.990 6.827 -2.219 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.127 7.486 -3.595 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.607 8.861 -0.930 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.085 8.220 -1.518 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.943 10.651 -4.348 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.200 9.088 -3.537 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.129 9.277 -4.706 1.00 0.00 H new ATOM 383 N MET A 72 -4.556 6.572 -4.050 1.00 0.00 N ATOM 384 CA MET A 72 -5.286 5.826 -5.055 1.00 0.00 C ATOM 385 C MET A 72 -6.194 6.791 -5.798 1.00 0.00 C ATOM 386 O MET A 72 -5.994 7.061 -6.982 1.00 0.00 O ATOM 387 CB MET A 72 -6.116 4.707 -4.415 1.00 0.00 C ATOM 388 CG MET A 72 -6.774 3.778 -5.422 1.00 0.00 C ATOM 389 SD MET A 72 -7.956 2.652 -4.657 1.00 0.00 S ATOM 390 CE MET A 72 -8.368 1.607 -6.052 1.00 0.00 C ATOM 0 H MET A 72 -4.811 6.355 -3.086 1.00 0.00 H new ATOM 0 HA MET A 72 -4.582 5.360 -5.744 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.473 4.120 -3.759 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.888 5.153 -3.788 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.283 4.372 -6.181 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.005 3.199 -5.933 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.093 0.854 -5.741 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.796 2.216 -6.849 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.467 1.114 -6.416 1.00 0.00 H new ATOM 400 N ALA A 73 -7.185 7.318 -5.072 1.00 0.00 N ATOM 401 CA ALA A 73 -8.113 8.329 -5.572 1.00 0.00 C ATOM 402 C ALA A 73 -7.428 9.511 -6.243 1.00 0.00 C ATOM 403 O ALA A 73 -8.098 10.303 -6.906 1.00 0.00 O ATOM 404 CB ALA A 73 -8.992 8.826 -4.436 1.00 0.00 C ATOM 0 H ALA A 73 -7.365 7.048 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.713 7.842 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.683 9.580 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.557 7.991 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.367 9.264 -3.657 1.00 0.00 H new ATOM 410 N ARG A 74 -6.117 9.660 -6.041 1.00 0.00 N ATOM 411 CA ARG A 74 -5.368 10.697 -6.727 1.00 0.00 C ATOM 412 C ARG A 74 -5.734 10.701 -8.209 1.00 0.00 C ATOM 413 O ARG A 74 -6.026 11.744 -8.793 1.00 0.00 O ATOM 414 CB ARG A 74 -3.854 10.512 -6.582 1.00 0.00 C ATOM 415 CG ARG A 74 -3.312 10.871 -5.211 1.00 0.00 C ATOM 416 CD ARG A 74 -3.522 12.336 -4.874 1.00 0.00 C ATOM 417 NE ARG A 74 -3.007 12.661 -3.541 1.00 0.00 N ATOM 418 CZ ARG A 74 -2.628 13.882 -3.162 1.00 0.00 C ATOM 419 NH1 ARG A 74 -2.723 14.898 -4.008 1.00 0.00 N ATOM 420 NH2 ARG A 74 -2.166 14.088 -1.933 1.00 0.00 N ATOM 0 H ARG A 74 -5.563 9.078 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.634 11.648 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.604 9.473 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.351 11.124 -7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.800 10.253 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.247 10.640 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.024 12.957 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.585 12.572 -4.922 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.934 11.905 -2.860 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.086 14.746 -4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.433 15.832 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.100 13.311 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.877 15.023 -1.647 1.00 0.00 H new ATOM 544 N GLU A 82 -14.057 0.100 2.155 1.00 0.00 N ATOM 545 CA GLU A 82 -12.878 -0.003 3.003 1.00 0.00 C ATOM 546 C GLU A 82 -12.472 -1.449 3.219 1.00 0.00 C ATOM 547 O GLU A 82 -11.290 -1.742 3.338 1.00 0.00 O ATOM 548 CB GLU A 82 -13.125 0.681 4.349 1.00 0.00 C ATOM 549 CG GLU A 82 -11.901 0.710 5.253 1.00 0.00 C ATOM 550 CD GLU A 82 -12.164 1.426 6.558 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.667 0.783 7.505 1.00 0.00 O ATOM 552 OE2 GLU A 82 -11.869 2.637 6.650 1.00 0.00 O ATOM 0 HA GLU A 82 -12.059 0.503 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.459 1.703 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.935 0.166 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.582 -0.311 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.079 1.201 4.732 1.00 0.00 H new ATOM 559 N GLU A 83 -13.447 -2.350 3.275 1.00 0.00 N ATOM 560 CA GLU A 83 -13.172 -3.774 3.454 1.00 0.00 C ATOM 561 C GLU A 83 -12.298 -4.312 2.324 1.00 0.00 C ATOM 562 O GLU A 83 -11.284 -4.962 2.570 1.00 0.00 O ATOM 563 CB GLU A 83 -14.480 -4.576 3.505 1.00 0.00 C ATOM 564 CG GLU A 83 -15.485 -4.104 4.555 1.00 0.00 C ATOM 565 CD GLU A 83 -16.096 -2.757 4.226 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.740 -2.634 3.167 1.00 0.00 O ATOM 567 OE2 GLU A 83 -15.899 -1.803 5.004 1.00 0.00 O ATOM 0 H GLU A 83 -14.438 -2.120 3.199 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.640 -3.887 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.954 -4.533 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.240 -5.622 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.280 -4.844 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.989 -4.045 5.524 1.00 0.00 H new ATOM 574 N GLU A 84 -12.689 -4.020 1.089 1.00 0.00 N ATOM 575 CA GLU A 84 -11.951 -4.487 -0.083 1.00 0.00 C ATOM 576 C GLU A 84 -10.555 -3.894 -0.096 1.00 0.00 C ATOM 577 O GLU A 84 -9.574 -4.576 -0.390 1.00 0.00 O ATOM 578 CB GLU A 84 -12.682 -4.079 -1.364 1.00 0.00 C ATOM 579 CG GLU A 84 -14.061 -4.696 -1.519 1.00 0.00 C ATOM 580 CD GLU A 84 -14.011 -6.169 -1.853 1.00 0.00 C ATOM 581 OE1 GLU A 84 -13.692 -6.509 -3.012 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.304 -6.994 -0.970 1.00 0.00 O ATOM 0 H GLU A 84 -13.514 -3.461 0.871 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.882 -5.574 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.778 -2.993 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.072 -4.361 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.622 -4.557 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.604 -4.169 -2.304 1.00 0.00 H new ATOM 589 N ILE A 85 -10.485 -2.615 0.237 1.00 0.00 N ATOM 590 CA ILE A 85 -9.222 -1.914 0.266 1.00 0.00 C ATOM 591 C ILE A 85 -8.354 -2.458 1.398 1.00 0.00 C ATOM 592 O ILE A 85 -7.143 -2.585 1.263 1.00 0.00 O ATOM 593 CB ILE A 85 -9.397 -0.389 0.421 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.333 0.152 -0.662 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.043 0.312 0.339 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.823 -0.068 -2.070 1.00 0.00 C ATOM 0 H ILE A 85 -11.292 -2.045 0.490 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.733 -2.085 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.837 -0.190 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.308 -0.325 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.482 1.220 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.183 1.387 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.395 -0.054 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.583 0.104 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.538 0.341 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.862 0.432 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.701 -1.136 -2.250 1.00 0.00 H new ATOM 608 N ARG A 86 -8.998 -2.821 2.504 1.00 0.00 N ATOM 609 CA ARG A 86 -8.302 -3.368 3.658 1.00 0.00 C ATOM 610 C ARG A 86 -7.789 -4.774 3.364 1.00 0.00 C ATOM 611 O ARG A 86 -6.692 -5.147 3.790 1.00 0.00 O ATOM 612 CB ARG A 86 -9.229 -3.377 4.874 1.00 0.00 C ATOM 613 CG ARG A 86 -8.590 -3.949 6.125 1.00 0.00 C ATOM 614 CD ARG A 86 -9.465 -3.738 7.348 1.00 0.00 C ATOM 615 NE ARG A 86 -10.840 -4.188 7.134 1.00 0.00 N ATOM 616 CZ ARG A 86 -11.908 -3.425 7.366 1.00 0.00 C ATOM 617 NH1 ARG A 86 -11.755 -2.199 7.850 1.00 0.00 N ATOM 618 NH2 ARG A 86 -13.127 -3.891 7.135 1.00 0.00 N ATOM 0 H ARG A 86 -10.008 -2.744 2.622 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.442 -2.735 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.556 -2.357 5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.121 -3.956 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.409 -5.015 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.620 -3.479 6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.037 -4.275 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.468 -2.680 7.611 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.990 -5.136 6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.820 -1.840 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.572 -1.615 8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.252 -4.838 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.940 -3.302 7.314 1.00 0.00 H new ATOM 632 N GLU A 87 -8.570 -5.558 2.625 1.00 0.00 N ATOM 633 CA GLU A 87 -8.101 -6.860 2.195 1.00 0.00 C ATOM 634 C GLU A 87 -6.975 -6.685 1.187 1.00 0.00 C ATOM 635 O GLU A 87 -6.076 -7.513 1.100 1.00 0.00 O ATOM 636 CB GLU A 87 -9.234 -7.712 1.617 1.00 0.00 C ATOM 637 CG GLU A 87 -10.284 -8.088 2.650 1.00 0.00 C ATOM 638 CD GLU A 87 -11.131 -9.269 2.224 1.00 0.00 C ATOM 639 OE1 GLU A 87 -12.126 -9.060 1.499 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.811 -10.411 2.603 1.00 0.00 O ATOM 0 H GLU A 87 -9.512 -5.315 2.319 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.722 -7.395 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.712 -7.166 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.814 -8.621 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.791 -8.322 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.931 -7.230 2.833 1.00 0.00 H new ATOM 647 N ALA A 88 -7.013 -5.586 0.446 1.00 0.00 N ATOM 648 CA ALA A 88 -5.915 -5.237 -0.437 1.00 0.00 C ATOM 649 C ALA A 88 -4.666 -4.931 0.383 1.00 0.00 C ATOM 650 O ALA A 88 -3.573 -5.351 0.031 1.00 0.00 O ATOM 651 CB ALA A 88 -6.285 -4.054 -1.319 1.00 0.00 C ATOM 0 H ALA A 88 -7.790 -4.925 0.440 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.707 -6.086 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.447 -3.811 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.155 -4.310 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.519 -3.193 -0.693 1.00 0.00 H new ATOM 657 N PHE A 89 -4.846 -4.217 1.493 1.00 0.00 N ATOM 658 CA PHE A 89 -3.745 -3.912 2.409 1.00 0.00 C ATOM 659 C PHE A 89 -3.014 -5.180 2.847 1.00 0.00 C ATOM 660 O PHE A 89 -1.784 -5.233 2.819 1.00 0.00 O ATOM 661 CB PHE A 89 -4.254 -3.156 3.643 1.00 0.00 C ATOM 662 CG PHE A 89 -4.238 -1.659 3.500 1.00 0.00 C ATOM 663 CD1 PHE A 89 -5.209 -1.003 2.765 1.00 0.00 C ATOM 664 CD2 PHE A 89 -3.244 -0.907 4.108 1.00 0.00 C ATOM 665 CE1 PHE A 89 -5.193 0.372 2.639 1.00 0.00 C ATOM 666 CE2 PHE A 89 -3.223 0.467 3.985 1.00 0.00 C ATOM 667 CZ PHE A 89 -4.198 1.108 3.249 1.00 0.00 C ATOM 0 H PHE A 89 -5.747 -3.837 1.782 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.042 -3.278 1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.273 -3.478 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.644 -3.434 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.990 -1.573 2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.477 -1.403 4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.959 0.871 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.444 1.041 4.465 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.183 2.183 3.151 1.00 0.00 H new ATOM 677 N ARG A 90 -3.768 -6.203 3.235 1.00 0.00 N ATOM 678 CA ARG A 90 -3.158 -7.443 3.705 1.00 0.00 C ATOM 679 C ARG A 90 -2.566 -8.244 2.540 1.00 0.00 C ATOM 680 O ARG A 90 -1.639 -9.028 2.733 1.00 0.00 O ATOM 681 CB ARG A 90 -4.163 -8.300 4.488 1.00 0.00 C ATOM 682 CG ARG A 90 -5.258 -8.918 3.633 1.00 0.00 C ATOM 683 CD ARG A 90 -6.100 -9.905 4.427 1.00 0.00 C ATOM 684 NE ARG A 90 -5.294 -11.002 4.962 1.00 0.00 N ATOM 685 CZ ARG A 90 -5.600 -12.294 4.826 1.00 0.00 C ATOM 686 NH1 ARG A 90 -6.709 -12.663 4.197 1.00 0.00 N ATOM 687 NH2 ARG A 90 -4.803 -13.216 5.346 1.00 0.00 N ATOM 0 H ARG A 90 -4.788 -6.200 3.234 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.348 -7.170 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.623 -9.098 4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.625 -7.684 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.898 -8.130 3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.810 -9.426 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.594 -9.384 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.885 -10.309 3.788 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.443 -10.764 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.336 -11.957 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.934 -13.653 4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.960 -12.937 5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.033 -14.205 5.245 1.00 0.00 H new ATOM 701 N VAL A 91 -3.109 -8.050 1.339 1.00 0.00 N ATOM 702 CA VAL A 91 -2.613 -8.742 0.149 1.00 0.00 C ATOM 703 C VAL A 91 -1.358 -8.071 -0.407 1.00 0.00 C ATOM 704 O VAL A 91 -0.361 -8.743 -0.679 1.00 0.00 O ATOM 705 CB VAL A 91 -3.691 -8.821 -0.959 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.095 -9.299 -2.276 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.823 -9.742 -0.533 1.00 0.00 C ATOM 0 H VAL A 91 -3.892 -7.420 1.164 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.361 -9.755 0.462 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.088 -7.817 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.877 -9.344 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.318 -8.605 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.663 -10.291 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.573 -9.787 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.429 -10.742 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.280 -9.359 0.379 1.00 0.00 H new ATOM 717 N PHE A 92 -1.413 -6.751 -0.564 1.00 0.00 N ATOM 718 CA PHE A 92 -0.299 -5.993 -1.120 1.00 0.00 C ATOM 719 C PHE A 92 0.945 -6.149 -0.260 1.00 0.00 C ATOM 720 O PHE A 92 2.054 -6.284 -0.773 1.00 0.00 O ATOM 721 CB PHE A 92 -0.659 -4.504 -1.266 1.00 0.00 C ATOM 722 CG PHE A 92 -1.412 -4.176 -2.529 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.762 -4.456 -2.646 1.00 0.00 C ATOM 724 CD2 PHE A 92 -0.761 -3.593 -3.603 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.451 -4.155 -3.809 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.442 -3.290 -4.767 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.789 -3.574 -4.871 1.00 0.00 C ATOM 0 H PHE A 92 -2.222 -6.183 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.090 -6.394 -2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.259 -4.200 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.258 -3.915 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.285 -4.915 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.294 -3.372 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.506 -4.375 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.921 -2.831 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.323 -3.342 -5.781 1.00 0.00 H new ATOM 737 N ASP A 93 0.759 -6.128 1.047 1.00 0.00 N ATOM 738 CA ASP A 93 1.862 -6.302 1.975 1.00 0.00 C ATOM 739 C ASP A 93 2.494 -7.686 1.833 1.00 0.00 C ATOM 740 O ASP A 93 1.798 -8.689 1.673 1.00 0.00 O ATOM 741 CB ASP A 93 1.379 -6.094 3.404 1.00 0.00 C ATOM 742 CG ASP A 93 2.533 -5.954 4.355 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.101 -4.865 4.463 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.927 -6.928 4.986 1.00 0.00 O ATOM 0 H ASP A 93 -0.149 -5.992 1.491 1.00 0.00 H new ATOM 0 HA ASP A 93 2.622 -5.558 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.754 -5.202 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.756 -6.936 3.706 1.00 0.00 H new ATOM 749 N LYS A 94 3.826 -7.725 1.904 1.00 0.00 N ATOM 750 CA LYS A 94 4.591 -8.947 1.707 1.00 0.00 C ATOM 751 C LYS A 94 4.538 -9.797 2.975 1.00 0.00 C ATOM 752 O LYS A 94 4.520 -11.025 2.917 1.00 0.00 O ATOM 753 CB LYS A 94 6.050 -8.591 1.334 1.00 0.00 C ATOM 754 CG LYS A 94 7.085 -8.967 2.392 1.00 0.00 C ATOM 755 CD LYS A 94 8.282 -8.010 2.453 1.00 0.00 C ATOM 756 CE LYS A 94 9.069 -7.911 1.145 1.00 0.00 C ATOM 757 NZ LYS A 94 8.439 -6.979 0.184 1.00 0.00 N ATOM 0 H LYS A 94 4.401 -6.906 2.100 1.00 0.00 H new ATOM 0 HA LYS A 94 4.160 -9.526 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.305 -9.092 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.113 -7.519 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.601 -8.991 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.447 -9.975 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.926 -7.017 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.955 -8.337 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.085 -7.579 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.145 -8.900 0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.128 -6.719 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.618 -7.439 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.127 -6.122 0.685 1.00 0.00 H new ATOM 771 N ASP A 95 4.513 -9.121 4.117 1.00 0.00 N ATOM 772 CA ASP A 95 4.442 -9.784 5.412 1.00 0.00 C ATOM 773 C ASP A 95 2.996 -9.897 5.877 1.00 0.00 C ATOM 774 O ASP A 95 2.729 -10.382 6.978 1.00 0.00 O ATOM 775 CB ASP A 95 5.234 -9.012 6.483 1.00 0.00 C ATOM 776 CG ASP A 95 6.101 -7.894 5.931 1.00 0.00 C ATOM 777 OD1 ASP A 95 5.549 -6.855 5.499 1.00 0.00 O ATOM 778 OD2 ASP A 95 7.340 -8.024 5.959 1.00 0.00 O ATOM 0 H ASP A 95 4.541 -8.103 4.171 1.00 0.00 H new ATOM 0 HA ASP A 95 4.876 -10.776 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.533 -8.591 7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.867 -9.713 7.026 1.00 0.00 H new ATOM 783 N GLY A 96 2.067 -9.462 5.025 1.00 0.00 N ATOM 784 CA GLY A 96 0.667 -9.366 5.402 1.00 0.00 C ATOM 785 C GLY A 96 0.425 -8.599 6.694 1.00 0.00 C ATOM 786 O GLY A 96 -0.550 -8.872 7.388 1.00 0.00 O ATOM 0 H GLY A 96 2.265 -9.171 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.117 -8.882 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.260 -10.372 5.507 1.00 0.00 H new ATOM 790 N ASN A 97 1.284 -7.631 7.025 1.00 0.00 N ATOM 791 CA ASN A 97 1.177 -6.939 8.313 1.00 0.00 C ATOM 792 C ASN A 97 0.061 -5.884 8.334 1.00 0.00 C ATOM 793 O ASN A 97 -0.146 -5.223 9.350 1.00 0.00 O ATOM 794 CB ASN A 97 2.526 -6.319 8.738 1.00 0.00 C ATOM 795 CG ASN A 97 2.979 -5.130 7.899 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.750 -5.280 6.945 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.535 -3.937 8.264 1.00 0.00 N ATOM 0 H ASN A 97 2.049 -7.312 6.431 1.00 0.00 H new ATOM 0 HA ASN A 97 0.905 -7.702 9.043 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.452 -6.004 9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.294 -7.091 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.829 -3.105 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.899 -3.850 9.057 1.00 0.00 H new ATOM 804 N GLY A 98 -0.662 -5.733 7.230 1.00 0.00 N ATOM 805 CA GLY A 98 -1.863 -4.904 7.230 1.00 0.00 C ATOM 806 C GLY A 98 -1.648 -3.488 6.723 1.00 0.00 C ATOM 807 O GLY A 98 -2.601 -2.819 6.335 1.00 0.00 O ATOM 0 H GLY A 98 -0.442 -6.167 6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.622 -5.386 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.258 -4.858 8.245 1.00 0.00 H new ATOM 811 N TYR A 99 -0.420 -3.013 6.770 1.00 0.00 N ATOM 812 CA TYR A 99 -0.082 -1.758 6.101 1.00 0.00 C ATOM 813 C TYR A 99 0.680 -2.026 4.819 1.00 0.00 C ATOM 814 O TYR A 99 1.236 -3.096 4.647 1.00 0.00 O ATOM 815 CB TYR A 99 0.736 -0.843 7.008 1.00 0.00 C ATOM 816 CG TYR A 99 -0.101 0.016 7.916 1.00 0.00 C ATOM 817 CD1 TYR A 99 -1.146 0.769 7.412 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.156 0.073 9.279 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.919 1.555 8.237 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.612 0.856 10.114 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.639 1.602 9.592 1.00 0.00 C ATOM 822 OH TYR A 99 -2.420 2.380 10.416 1.00 0.00 O ATOM 0 H TYR A 99 0.356 -3.464 7.255 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.018 -1.253 5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.406 -1.452 7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.363 -0.200 6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.359 0.740 6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.970 -0.505 9.691 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.737 2.130 7.830 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.407 0.882 11.174 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.097 2.306 11.338 1.00 0.00 H new ATOM 832 N ILE A 100 0.689 -1.057 3.915 1.00 0.00 N ATOM 833 CA ILE A 100 1.342 -1.231 2.627 1.00 0.00 C ATOM 834 C ILE A 100 2.570 -0.325 2.521 1.00 0.00 C ATOM 835 O ILE A 100 2.454 0.881 2.314 1.00 0.00 O ATOM 836 CB ILE A 100 0.364 -0.916 1.466 1.00 0.00 C ATOM 837 CG1 ILE A 100 -0.939 -1.705 1.626 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.996 -1.228 0.120 1.00 0.00 C ATOM 839 CD1 ILE A 100 -1.999 -1.346 0.601 1.00 0.00 C ATOM 0 H ILE A 100 0.253 -0.145 4.050 1.00 0.00 H new ATOM 0 HA ILE A 100 1.657 -2.272 2.550 1.00 0.00 H new ATOM 0 HB ILE A 100 0.138 0.150 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.720 -2.770 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.339 -1.531 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.288 -0.998 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.895 -0.625 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.259 -2.285 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.893 -1.945 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.247 -0.288 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.619 -1.547 -0.401 1.00 0.00 H new ATOM 851 N SER A 101 3.745 -0.904 2.696 1.00 0.00 N ATOM 852 CA SER A 101 4.994 -0.185 2.496 1.00 0.00 C ATOM 853 C SER A 101 5.516 -0.425 1.074 1.00 0.00 C ATOM 854 O SER A 101 4.899 -1.159 0.308 1.00 0.00 O ATOM 855 CB SER A 101 6.023 -0.637 3.532 1.00 0.00 C ATOM 856 OG SER A 101 5.481 -0.578 4.843 1.00 0.00 O ATOM 0 H SER A 101 3.862 -1.877 2.978 1.00 0.00 H new ATOM 0 HA SER A 101 4.819 0.883 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.343 -1.655 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.908 -0.004 3.471 1.00 0.00 H new ATOM 0 HG SER A 101 6.156 -0.873 5.490 1.00 0.00 H new ATOM 862 N ALA A 102 6.656 0.165 0.734 1.00 0.00 N ATOM 863 CA ALA A 102 7.137 0.153 -0.648 1.00 0.00 C ATOM 864 C ALA A 102 7.501 -1.247 -1.141 1.00 0.00 C ATOM 865 O ALA A 102 6.986 -1.693 -2.167 1.00 0.00 O ATOM 866 CB ALA A 102 8.329 1.068 -0.791 1.00 0.00 C ATOM 0 H ALA A 102 7.264 0.656 1.390 1.00 0.00 H new ATOM 0 HA ALA A 102 6.314 0.508 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.679 1.051 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.042 2.084 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.128 0.730 -0.132 1.00 0.00 H new ATOM 872 N ALA A 103 8.405 -1.921 -0.433 1.00 0.00 N ATOM 873 CA ALA A 103 8.804 -3.290 -0.777 1.00 0.00 C ATOM 874 C ALA A 103 7.598 -4.207 -0.945 1.00 0.00 C ATOM 875 O ALA A 103 7.620 -5.150 -1.738 1.00 0.00 O ATOM 876 CB ALA A 103 9.736 -3.851 0.287 1.00 0.00 C ATOM 0 H ALA A 103 8.879 -1.542 0.387 1.00 0.00 H new ATOM 0 HA ALA A 103 9.327 -3.247 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.024 -4.867 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.627 -3.227 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.225 -3.861 1.250 1.00 0.00 H new ATOM 882 N GLU A 104 6.550 -3.929 -0.191 1.00 0.00 N ATOM 883 CA GLU A 104 5.337 -4.725 -0.249 1.00 0.00 C ATOM 884 C GLU A 104 4.729 -4.627 -1.638 1.00 0.00 C ATOM 885 O GLU A 104 4.327 -5.638 -2.225 1.00 0.00 O ATOM 886 CB GLU A 104 4.326 -4.220 0.763 1.00 0.00 C ATOM 887 CG GLU A 104 4.949 -3.677 2.051 1.00 0.00 C ATOM 888 CD GLU A 104 5.430 -4.733 3.032 1.00 0.00 C ATOM 889 OE1 GLU A 104 5.551 -5.913 2.636 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.753 -4.408 4.169 1.00 0.00 O ATOM 0 H GLU A 104 6.515 -3.154 0.472 1.00 0.00 H new ATOM 0 HA GLU A 104 5.590 -5.761 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.728 -3.434 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.644 -5.032 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.792 -3.039 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.216 -3.045 2.552 1.00 0.00 H new ATOM 897 N LEU A 105 4.713 -3.400 -2.171 1.00 0.00 N ATOM 898 CA LEU A 105 4.144 -3.138 -3.486 1.00 0.00 C ATOM 899 C LEU A 105 4.741 -4.082 -4.508 1.00 0.00 C ATOM 900 O LEU A 105 4.026 -4.733 -5.246 1.00 0.00 O ATOM 901 CB LEU A 105 4.402 -1.696 -3.950 1.00 0.00 C ATOM 902 CG LEU A 105 3.359 -0.645 -3.549 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.951 -1.201 -3.703 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.599 -0.143 -2.135 1.00 0.00 C ATOM 0 H LEU A 105 5.090 -2.574 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 105 3.068 -3.290 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.370 -1.381 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.482 -1.698 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 105 3.462 0.207 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.226 -0.440 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.784 -1.485 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.833 -2.076 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.844 0.601 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.537 -0.978 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.589 0.309 -2.072 1.00 0.00 H new ATOM 916 N ARG A 106 6.060 -4.194 -4.503 1.00 0.00 N ATOM 917 CA ARG A 106 6.744 -4.959 -5.527 1.00 0.00 C ATOM 918 C ARG A 106 6.476 -6.452 -5.379 1.00 0.00 C ATOM 919 O ARG A 106 6.208 -7.119 -6.372 1.00 0.00 O ATOM 920 CB ARG A 106 8.239 -4.653 -5.550 1.00 0.00 C ATOM 921 CG ARG A 106 8.538 -3.274 -6.114 1.00 0.00 C ATOM 922 CD ARG A 106 9.953 -3.170 -6.648 1.00 0.00 C ATOM 923 NE ARG A 106 10.182 -1.887 -7.310 1.00 0.00 N ATOM 924 CZ ARG A 106 10.780 -1.753 -8.493 1.00 0.00 C ATOM 925 NH1 ARG A 106 11.201 -2.826 -9.156 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.936 -0.544 -9.018 1.00 0.00 N ATOM 0 H ARG A 106 6.672 -3.768 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 106 6.338 -4.652 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.637 -4.723 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.752 -5.406 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.832 -3.049 -6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.389 -2.525 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.662 -3.290 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.138 -3.982 -7.351 1.00 0.00 H new ATOM 0 HE ARG A 106 9.864 -1.041 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.067 -3.756 -8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.658 -2.719 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.599 0.277 -8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.393 -0.436 -9.923 1.00 0.00 H new ATOM 940 N HIS A 107 6.517 -6.960 -4.143 1.00 0.00 N ATOM 941 CA HIS A 107 6.207 -8.374 -3.868 1.00 0.00 C ATOM 942 C HIS A 107 4.907 -8.791 -4.522 1.00 0.00 C ATOM 943 O HIS A 107 4.818 -9.838 -5.157 1.00 0.00 O ATOM 944 CB HIS A 107 6.082 -8.630 -2.354 1.00 0.00 C ATOM 945 CG HIS A 107 5.787 -10.066 -1.988 1.00 0.00 C ATOM 946 ND1 HIS A 107 6.734 -10.924 -1.468 1.00 0.00 N ATOM 947 CD2 HIS A 107 4.637 -10.784 -2.048 1.00 0.00 C ATOM 948 CE1 HIS A 107 6.179 -12.100 -1.233 1.00 0.00 C ATOM 949 NE2 HIS A 107 4.908 -12.041 -1.572 1.00 0.00 N ATOM 0 H HIS A 107 6.761 -6.417 -3.315 1.00 0.00 H new ATOM 0 HA HIS A 107 7.030 -8.959 -4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.010 -8.327 -1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.291 -7.996 -1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.682 -10.430 -2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.684 -12.965 -0.830 1.00 0.00 H new ATOM 0 HE2 HIS A 107 4.236 -12.804 -1.493 1.00 0.00 H new ATOM 958 N VAL A 108 3.903 -7.983 -4.322 1.00 0.00 N ATOM 959 CA VAL A 108 2.573 -8.333 -4.750 1.00 0.00 C ATOM 960 C VAL A 108 2.349 -7.947 -6.211 1.00 0.00 C ATOM 961 O VAL A 108 1.674 -8.653 -6.961 1.00 0.00 O ATOM 962 CB VAL A 108 1.530 -7.679 -3.827 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.454 -6.176 -4.051 1.00 0.00 C ATOM 964 CG2 VAL A 108 0.168 -8.329 -4.005 1.00 0.00 C ATOM 0 H VAL A 108 3.979 -7.075 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 108 2.457 -9.415 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 108 1.850 -7.840 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.708 -5.746 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.426 -5.728 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.174 -5.976 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.553 -7.850 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.158 -8.214 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.236 -9.389 -3.762 1.00 0.00 H new ATOM 974 N MET A 109 2.945 -6.831 -6.603 1.00 0.00 N ATOM 975 CA MET A 109 2.669 -6.228 -7.891 1.00 0.00 C ATOM 976 C MET A 109 3.389 -6.941 -9.045 1.00 0.00 C ATOM 977 O MET A 109 2.748 -7.653 -9.819 1.00 0.00 O ATOM 978 CB MET A 109 3.041 -4.741 -7.832 1.00 0.00 C ATOM 979 CG MET A 109 2.239 -3.858 -8.773 1.00 0.00 C ATOM 980 SD MET A 109 2.558 -4.205 -10.516 1.00 0.00 S ATOM 981 CE MET A 109 1.414 -3.074 -11.305 1.00 0.00 C ATOM 0 H MET A 109 3.628 -6.324 -6.040 1.00 0.00 H new ATOM 0 HA MET A 109 1.604 -6.333 -8.099 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.903 -4.384 -6.811 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.100 -4.634 -8.066 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.176 -3.993 -8.571 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.472 -2.813 -8.568 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.494 -3.172 -12.388 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.396 -3.310 -10.994 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.655 -2.051 -11.014 1.00 0.00 H new ATOM 991 N THR A 110 4.703 -6.766 -9.185 1.00 0.00 N ATOM 992 CA THR A 110 5.402 -7.349 -10.330 1.00 0.00 C ATOM 993 C THR A 110 6.683 -8.104 -9.944 1.00 0.00 C ATOM 994 O THR A 110 7.229 -8.853 -10.752 1.00 0.00 O ATOM 995 CB THR A 110 5.737 -6.254 -11.372 1.00 0.00 C ATOM 996 OG1 THR A 110 6.307 -6.835 -12.553 1.00 0.00 O ATOM 997 CG2 THR A 110 6.697 -5.223 -10.798 1.00 0.00 C ATOM 0 H THR A 110 5.292 -6.240 -8.539 1.00 0.00 H new ATOM 0 HA THR A 110 4.719 -8.082 -10.761 1.00 0.00 H new ATOM 0 HB THR A 110 4.804 -5.755 -11.633 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.722 -7.694 -12.328 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.913 -4.467 -11.553 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.243 -4.748 -9.928 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.623 -5.714 -10.501 1.00 0.00 H new ATOM 1005 N ASN A 111 7.168 -7.905 -8.730 1.00 0.00 N ATOM 1006 CA ASN A 111 8.447 -8.474 -8.313 1.00 0.00 C ATOM 1007 C ASN A 111 8.258 -9.459 -7.173 1.00 0.00 C ATOM 1008 O ASN A 111 7.133 -9.771 -6.790 1.00 0.00 O ATOM 1009 CB ASN A 111 9.406 -7.364 -7.873 1.00 0.00 C ATOM 1010 CG ASN A 111 9.938 -6.542 -9.031 1.00 0.00 C ATOM 1011 OD1 ASN A 111 10.189 -5.347 -8.890 1.00 0.00 O ATOM 1012 ND2 ASN A 111 10.130 -7.174 -10.176 1.00 0.00 N ATOM 0 H ASN A 111 6.698 -7.354 -8.012 1.00 0.00 H new ATOM 0 HA ASN A 111 8.871 -9.002 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.892 -6.705 -7.173 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.244 -7.808 -7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.499 -6.669 -10.982 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.910 -8.167 -10.254 1.00 0.00 H new