USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 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 85:sc= -1.08! USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.384 USER MOD Single : A 49 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.0027) USER MOD Single : A 51 MET CE :methyl 158:sc= -0.103 (180deg=-0.674) USER MOD Single : A 53 ASN : amide:sc= -0.991 K(o=-0.99,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.62! C(o=-1.6!,f=-6.4!) USER MOD Single : A 70 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -138:sc= -0.438 (180deg=-0.751) USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= -0.724! (180deg=-2.02!) USER MOD Single : A 97 ASN : amide:sc= -6.29! K(o=-6.3!,f=-1.9) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-1.1) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 13.714 -0.176 -2.931 1.00 0.00 N ATOM 29 CA LEU A 48 12.407 0.471 -2.855 1.00 0.00 C ATOM 30 C LEU A 48 12.315 1.493 -1.727 1.00 0.00 C ATOM 31 O LEU A 48 11.266 2.107 -1.542 1.00 0.00 O ATOM 32 CB LEU A 48 11.312 -0.591 -2.686 1.00 0.00 C ATOM 33 CG LEU A 48 10.659 -1.091 -3.982 1.00 0.00 C ATOM 34 CD1 LEU A 48 9.744 -0.028 -4.561 1.00 0.00 C ATOM 35 CD2 LEU A 48 11.710 -1.492 -5.006 1.00 0.00 C ATOM 0 HA LEU A 48 12.265 1.015 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.740 -1.447 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.532 -0.182 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 48 10.066 -1.972 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.290 -0.400 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.962 0.211 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.322 0.870 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.219 -1.842 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.336 -0.631 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.330 -2.290 -4.598 1.00 0.00 H new ATOM 47 N GLN A 49 13.394 1.677 -0.973 1.00 0.00 N ATOM 48 CA GLN A 49 13.432 2.713 0.052 1.00 0.00 C ATOM 49 C GLN A 49 13.175 4.078 -0.585 1.00 0.00 C ATOM 50 O GLN A 49 12.527 4.943 0.003 1.00 0.00 O ATOM 51 CB GLN A 49 14.778 2.708 0.779 1.00 0.00 C ATOM 52 CG GLN A 49 14.878 3.761 1.872 1.00 0.00 C ATOM 53 CD GLN A 49 16.218 3.747 2.576 1.00 0.00 C ATOM 54 OE1 GLN A 49 16.701 4.782 3.027 1.00 0.00 O ATOM 55 NE2 GLN A 49 16.821 2.577 2.680 1.00 0.00 N ATOM 0 H GLN A 49 14.249 1.126 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 49 12.652 2.509 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.942 1.724 1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.575 2.871 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.711 4.747 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.086 3.596 2.603 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.384 1.742 2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.724 2.509 3.150 1.00 0.00 H new ATOM 64 N ASP A 50 13.672 4.242 -1.806 1.00 0.00 N ATOM 65 CA ASP A 50 13.425 5.444 -2.596 1.00 0.00 C ATOM 66 C ASP A 50 11.921 5.663 -2.742 1.00 0.00 C ATOM 67 O ASP A 50 11.387 6.739 -2.441 1.00 0.00 O ATOM 68 CB ASP A 50 14.065 5.282 -3.982 1.00 0.00 C ATOM 69 CG ASP A 50 14.137 6.578 -4.766 1.00 0.00 C ATOM 70 OD1 ASP A 50 13.087 7.073 -5.223 1.00 0.00 O ATOM 71 OD2 ASP A 50 15.256 7.101 -4.939 1.00 0.00 O ATOM 0 H ASP A 50 14.255 3.549 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 50 13.863 6.307 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.071 4.880 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.495 4.551 -4.554 1.00 0.00 H new ATOM 76 N MET A 51 11.240 4.609 -3.166 1.00 0.00 N ATOM 77 CA MET A 51 9.799 4.642 -3.349 1.00 0.00 C ATOM 78 C MET A 51 9.091 4.875 -2.018 1.00 0.00 C ATOM 79 O MET A 51 8.036 5.494 -1.973 1.00 0.00 O ATOM 80 CB MET A 51 9.317 3.337 -3.980 1.00 0.00 C ATOM 81 CG MET A 51 7.848 3.349 -4.369 1.00 0.00 C ATOM 82 SD MET A 51 7.490 4.533 -5.681 1.00 0.00 S ATOM 83 CE MET A 51 8.436 3.835 -7.035 1.00 0.00 C ATOM 0 H MET A 51 11.669 3.712 -3.392 1.00 0.00 H new ATOM 0 HA MET A 51 9.557 5.469 -4.017 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.916 3.130 -4.867 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.491 2.520 -3.280 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.554 2.351 -4.694 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.246 3.589 -3.493 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.033 4.193 -7.983 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.479 4.140 -6.946 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.372 2.747 -7.001 1.00 0.00 H new ATOM 93 N ILE A 52 9.693 4.401 -0.932 1.00 0.00 N ATOM 94 CA ILE A 52 9.134 4.617 0.396 1.00 0.00 C ATOM 95 C ILE A 52 9.128 6.107 0.703 1.00 0.00 C ATOM 96 O ILE A 52 8.140 6.651 1.188 1.00 0.00 O ATOM 97 CB ILE A 52 9.935 3.882 1.500 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.868 2.366 1.301 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.419 4.258 2.886 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.675 1.577 2.311 1.00 0.00 C ATOM 0 H ILE A 52 10.563 3.868 -0.945 1.00 0.00 H new ATOM 0 HA ILE A 52 8.121 4.214 0.393 1.00 0.00 H new ATOM 0 HB ILE A 52 10.976 4.195 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.827 2.048 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.223 2.125 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.996 3.730 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.523 5.333 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.368 3.980 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.576 0.512 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.724 1.864 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.306 1.786 3.315 1.00 0.00 H new ATOM 112 N ASN A 53 10.237 6.758 0.366 1.00 0.00 N ATOM 113 CA ASN A 53 10.427 8.177 0.649 1.00 0.00 C ATOM 114 C ASN A 53 9.507 9.044 -0.202 1.00 0.00 C ATOM 115 O ASN A 53 9.239 10.199 0.136 1.00 0.00 O ATOM 116 CB ASN A 53 11.883 8.584 0.406 1.00 0.00 C ATOM 117 CG ASN A 53 12.867 7.869 1.318 1.00 0.00 C ATOM 118 OD1 ASN A 53 14.012 7.626 0.940 1.00 0.00 O ATOM 119 ND2 ASN A 53 12.436 7.528 2.524 1.00 0.00 N ATOM 0 H ASN A 53 11.026 6.319 -0.109 1.00 0.00 H new ATOM 0 HA ASN A 53 10.177 8.335 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.143 8.376 -0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.981 9.660 0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.061 7.048 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.480 7.745 2.804 1.00 0.00 H new ATOM 126 N GLU A 54 9.051 8.504 -1.326 1.00 0.00 N ATOM 127 CA GLU A 54 8.121 9.225 -2.186 1.00 0.00 C ATOM 128 C GLU A 54 6.665 8.956 -1.818 1.00 0.00 C ATOM 129 O GLU A 54 5.795 9.796 -2.055 1.00 0.00 O ATOM 130 CB GLU A 54 8.362 8.856 -3.645 1.00 0.00 C ATOM 131 CG GLU A 54 9.552 9.576 -4.240 1.00 0.00 C ATOM 132 CD GLU A 54 9.322 11.070 -4.321 1.00 0.00 C ATOM 133 OE1 GLU A 54 8.486 11.498 -5.144 1.00 0.00 O ATOM 134 OE2 GLU A 54 9.961 11.825 -3.559 1.00 0.00 O ATOM 0 H GLU A 54 9.308 7.576 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 54 8.305 10.289 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.518 7.780 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.471 9.092 -4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.437 9.377 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.752 9.184 -5.237 1.00 0.00 H new ATOM 141 N VAL A 55 6.405 7.786 -1.251 1.00 0.00 N ATOM 142 CA VAL A 55 5.039 7.384 -0.944 1.00 0.00 C ATOM 143 C VAL A 55 4.627 7.797 0.469 1.00 0.00 C ATOM 144 O VAL A 55 3.459 8.108 0.708 1.00 0.00 O ATOM 145 CB VAL A 55 4.861 5.855 -1.118 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.493 5.396 -0.638 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.060 5.461 -2.572 1.00 0.00 C ATOM 0 H VAL A 55 7.117 7.102 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 55 4.389 7.902 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 55 5.617 5.363 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.402 4.318 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.378 5.639 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.717 5.901 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.932 4.384 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.327 5.976 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.065 5.740 -2.890 1.00 0.00 H new ATOM 157 N ASP A 56 5.579 7.804 1.398 1.00 0.00 N ATOM 158 CA ASP A 56 5.283 8.205 2.777 1.00 0.00 C ATOM 159 C ASP A 56 4.677 9.616 2.838 1.00 0.00 C ATOM 160 O ASP A 56 5.293 10.608 2.451 1.00 0.00 O ATOM 161 CB ASP A 56 6.524 8.077 3.683 1.00 0.00 C ATOM 162 CG ASP A 56 7.451 9.281 3.666 1.00 0.00 C ATOM 163 OD1 ASP A 56 8.186 9.467 2.678 1.00 0.00 O ATOM 164 OD2 ASP A 56 7.470 10.027 4.667 1.00 0.00 O ATOM 0 H ASP A 56 6.550 7.541 1.229 1.00 0.00 H new ATOM 0 HA ASP A 56 4.531 7.516 3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.193 7.905 4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.089 7.196 3.379 1.00 0.00 H new ATOM 169 N ALA A 57 3.433 9.675 3.285 1.00 0.00 N ATOM 170 CA ALA A 57 2.717 10.941 3.413 1.00 0.00 C ATOM 171 C ALA A 57 2.753 11.423 4.856 1.00 0.00 C ATOM 172 O ALA A 57 3.001 12.599 5.130 1.00 0.00 O ATOM 173 CB ALA A 57 1.285 10.804 2.925 1.00 0.00 C ATOM 0 H ALA A 57 2.893 8.857 3.568 1.00 0.00 H new ATOM 0 HA ALA A 57 3.214 11.683 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.772 11.760 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.285 10.506 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.769 10.048 3.517 1.00 0.00 H new ATOM 179 N ASP A 58 2.515 10.491 5.769 1.00 0.00 N ATOM 180 CA ASP A 58 2.507 10.779 7.198 1.00 0.00 C ATOM 181 C ASP A 58 3.898 10.594 7.788 1.00 0.00 C ATOM 182 O ASP A 58 4.195 11.077 8.880 1.00 0.00 O ATOM 183 CB ASP A 58 1.501 9.883 7.933 1.00 0.00 C ATOM 184 CG ASP A 58 1.544 8.430 7.487 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.614 7.949 7.094 1.00 0.00 O ATOM 186 OD2 ASP A 58 0.530 7.709 7.559 1.00 0.00 O ATOM 0 H ASP A 58 2.322 9.516 5.541 1.00 0.00 H new ATOM 0 HA ASP A 58 2.204 11.818 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.698 9.932 9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.496 10.274 7.775 1.00 0.00 H new ATOM 191 N GLY A 59 4.746 9.897 7.051 1.00 0.00 N ATOM 192 CA GLY A 59 6.127 9.741 7.453 1.00 0.00 C ATOM 193 C GLY A 59 6.360 8.568 8.381 1.00 0.00 C ATOM 194 O GLY A 59 7.394 8.498 9.043 1.00 0.00 O ATOM 0 H GLY A 59 4.501 9.434 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.744 9.617 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.458 10.655 7.946 1.00 0.00 H new ATOM 198 N ASN A 60 5.416 7.635 8.434 1.00 0.00 N ATOM 199 CA ASN A 60 5.598 6.434 9.252 1.00 0.00 C ATOM 200 C ASN A 60 6.281 5.323 8.455 1.00 0.00 C ATOM 201 O ASN A 60 6.441 4.200 8.936 1.00 0.00 O ATOM 202 CB ASN A 60 4.271 5.937 9.858 1.00 0.00 C ATOM 203 CG ASN A 60 3.157 5.725 8.848 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.399 5.486 7.670 1.00 0.00 O ATOM 205 ND2 ASN A 60 1.915 5.817 9.305 1.00 0.00 N ATOM 0 H ASN A 60 4.530 7.681 7.931 1.00 0.00 H new ATOM 0 HA ASN A 60 6.248 6.711 10.082 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.454 4.998 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.935 6.657 10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.127 5.688 8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.748 6.017 10.291 1.00 0.00 H new ATOM 212 N GLY A 61 6.674 5.643 7.226 1.00 0.00 N ATOM 213 CA GLY A 61 7.442 4.708 6.419 1.00 0.00 C ATOM 214 C GLY A 61 6.565 3.721 5.678 1.00 0.00 C ATOM 215 O GLY A 61 7.061 2.848 4.966 1.00 0.00 O ATOM 0 H GLY A 61 6.475 6.535 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.044 5.264 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.134 4.163 7.061 1.00 0.00 H new ATOM 219 N THR A 62 5.263 3.857 5.844 1.00 0.00 N ATOM 220 CA THR A 62 4.324 2.967 5.198 1.00 0.00 C ATOM 221 C THR A 62 3.091 3.730 4.754 1.00 0.00 C ATOM 222 O THR A 62 2.786 4.809 5.280 1.00 0.00 O ATOM 223 CB THR A 62 3.910 1.805 6.132 1.00 0.00 C ATOM 224 OG1 THR A 62 3.088 0.869 5.421 1.00 0.00 O ATOM 225 CG2 THR A 62 3.156 2.321 7.350 1.00 0.00 C ATOM 0 H THR A 62 4.833 4.578 6.423 1.00 0.00 H new ATOM 0 HA THR A 62 4.821 2.543 4.325 1.00 0.00 H new ATOM 0 HB THR A 62 4.819 1.309 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.658 0.233 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.878 1.482 7.988 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.793 3.006 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.256 2.844 7.026 1.00 0.00 H new ATOM 233 N ILE A 63 2.396 3.194 3.770 1.00 0.00 N ATOM 234 CA ILE A 63 1.127 3.747 3.386 1.00 0.00 C ATOM 235 C ILE A 63 0.075 3.248 4.365 1.00 0.00 C ATOM 236 O ILE A 63 0.119 2.099 4.818 1.00 0.00 O ATOM 237 CB ILE A 63 0.754 3.392 1.922 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.382 4.662 1.153 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.384 2.381 1.861 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.094 4.423 -0.313 1.00 0.00 C ATOM 0 H ILE A 63 2.692 2.381 3.229 1.00 0.00 H new ATOM 0 HA ILE A 63 1.183 4.835 3.424 1.00 0.00 H new ATOM 0 HB ILE A 63 1.626 2.933 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.495 5.114 1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.196 5.381 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.617 2.157 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.085 1.465 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.266 2.796 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.162 5.368 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.977 4.000 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.740 3.728 -0.411 1.00 0.00 H new ATOM 252 N ASP A 64 -0.839 4.122 4.706 1.00 0.00 N ATOM 253 CA ASP A 64 -1.868 3.829 5.675 1.00 0.00 C ATOM 254 C ASP A 64 -3.184 3.800 4.934 1.00 0.00 C ATOM 255 O ASP A 64 -3.213 4.149 3.752 1.00 0.00 O ATOM 256 CB ASP A 64 -1.902 4.898 6.772 1.00 0.00 C ATOM 257 CG ASP A 64 -0.663 4.907 7.652 1.00 0.00 C ATOM 258 OD1 ASP A 64 0.454 5.194 7.149 1.00 0.00 O ATOM 259 OD2 ASP A 64 -0.799 4.667 8.861 1.00 0.00 O ATOM 0 H ASP A 64 -0.891 5.063 4.317 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.672 2.872 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.016 5.878 6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.780 4.737 7.397 1.00 0.00 H new ATOM 264 N PHE A 65 -4.262 3.395 5.585 1.00 0.00 N ATOM 265 CA PHE A 65 -5.575 3.446 4.949 1.00 0.00 C ATOM 266 C PHE A 65 -5.858 4.847 4.388 1.00 0.00 C ATOM 267 O PHE A 65 -6.204 4.975 3.212 1.00 0.00 O ATOM 268 CB PHE A 65 -6.682 3.012 5.915 1.00 0.00 C ATOM 269 CG PHE A 65 -6.615 1.561 6.293 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.875 1.147 7.391 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.291 0.610 5.547 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.813 -0.188 7.736 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.231 -0.727 5.888 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.490 -1.127 6.984 1.00 0.00 C ATOM 0 H PHE A 65 -4.260 3.032 6.538 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.566 2.741 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.622 3.618 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.651 3.216 5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.342 1.877 7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.871 0.917 4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.235 -0.498 8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.763 -1.459 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.441 -2.172 7.252 1.00 0.00 H new ATOM 284 N PRO A 66 -5.695 5.921 5.205 1.00 0.00 N ATOM 285 CA PRO A 66 -5.816 7.300 4.722 1.00 0.00 C ATOM 286 C PRO A 66 -4.931 7.585 3.509 1.00 0.00 C ATOM 287 O PRO A 66 -5.403 8.125 2.505 1.00 0.00 O ATOM 288 CB PRO A 66 -5.364 8.143 5.917 1.00 0.00 C ATOM 289 CG PRO A 66 -5.659 7.301 7.100 1.00 0.00 C ATOM 290 CD PRO A 66 -5.426 5.884 6.661 1.00 0.00 C ATOM 0 HA PRO A 66 -6.830 7.516 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.302 8.382 5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.902 9.090 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.012 7.562 7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.687 7.443 7.435 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.406 5.562 6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.092 5.191 7.174 1.00 0.00 H new ATOM 298 N GLU A 67 -3.651 7.209 3.584 1.00 0.00 N ATOM 299 CA GLU A 67 -2.719 7.506 2.496 1.00 0.00 C ATOM 300 C GLU A 67 -3.069 6.761 1.213 1.00 0.00 C ATOM 301 O GLU A 67 -3.207 7.378 0.161 1.00 0.00 O ATOM 302 CB GLU A 67 -1.293 7.161 2.892 1.00 0.00 C ATOM 303 CG GLU A 67 -0.729 8.036 3.986 1.00 0.00 C ATOM 304 CD GLU A 67 0.574 7.494 4.514 1.00 0.00 C ATOM 305 OE1 GLU A 67 0.605 6.337 4.924 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.571 8.214 4.576 1.00 0.00 O ATOM 0 H GLU A 67 -3.243 6.707 4.373 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.803 8.576 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.259 6.122 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.654 7.240 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.575 9.045 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.449 8.111 4.801 1.00 0.00 H new ATOM 313 N PHE A 68 -3.217 5.439 1.302 1.00 0.00 N ATOM 314 CA PHE A 68 -3.421 4.607 0.115 1.00 0.00 C ATOM 315 C PHE A 68 -4.685 5.029 -0.617 1.00 0.00 C ATOM 316 O PHE A 68 -4.684 5.175 -1.838 1.00 0.00 O ATOM 317 CB PHE A 68 -3.502 3.126 0.498 1.00 0.00 C ATOM 318 CG PHE A 68 -3.395 2.172 -0.670 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.154 1.738 -1.121 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.533 1.702 -1.306 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.052 0.856 -2.182 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.436 0.821 -2.367 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.195 0.397 -2.805 1.00 0.00 C ATOM 0 H PHE A 68 -3.200 4.922 2.181 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.568 4.745 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.706 2.903 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.446 2.947 1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.257 2.094 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.506 2.027 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.081 0.528 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.331 0.463 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.120 -0.292 -3.633 1.00 0.00 H new ATOM 333 N LEU A 69 -5.752 5.243 0.140 1.00 0.00 N ATOM 334 CA LEU A 69 -7.015 5.682 -0.430 1.00 0.00 C ATOM 335 C LEU A 69 -6.884 7.032 -1.111 1.00 0.00 C ATOM 336 O LEU A 69 -7.429 7.240 -2.194 1.00 0.00 O ATOM 337 CB LEU A 69 -8.100 5.744 0.639 1.00 0.00 C ATOM 338 CG LEU A 69 -8.848 4.434 0.841 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.956 4.594 1.868 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.401 3.966 -0.493 1.00 0.00 C ATOM 0 H LEU A 69 -5.767 5.119 1.152 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.300 4.948 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.647 6.041 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.816 6.521 0.371 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.159 3.682 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.475 3.644 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.527 4.902 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.662 5.351 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.938 3.028 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.082 4.719 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.580 3.815 -1.194 1.00 0.00 H new ATOM 352 N THR A 70 -6.150 7.941 -0.490 1.00 0.00 N ATOM 353 CA THR A 70 -6.003 9.273 -1.037 1.00 0.00 C ATOM 354 C THR A 70 -5.061 9.259 -2.244 1.00 0.00 C ATOM 355 O THR A 70 -5.289 9.955 -3.221 1.00 0.00 O ATOM 356 CB THR A 70 -5.489 10.269 0.023 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.362 10.262 1.161 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.402 11.682 -0.543 1.00 0.00 C ATOM 0 H THR A 70 -5.652 7.780 0.385 1.00 0.00 H new ATOM 0 HA THR A 70 -6.990 9.604 -1.360 1.00 0.00 H new ATOM 0 HB THR A 70 -4.489 9.957 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.046 9.600 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.037 12.361 0.228 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.717 11.693 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.390 12.004 -0.871 1.00 0.00 H new ATOM 366 N MET A 71 -4.003 8.461 -2.156 1.00 0.00 N ATOM 367 CA MET A 71 -3.077 8.258 -3.270 1.00 0.00 C ATOM 368 C MET A 71 -3.797 7.672 -4.477 1.00 0.00 C ATOM 369 O MET A 71 -3.489 8.017 -5.619 1.00 0.00 O ATOM 370 CB MET A 71 -1.925 7.334 -2.859 1.00 0.00 C ATOM 371 CG MET A 71 -0.892 7.991 -1.959 1.00 0.00 C ATOM 372 SD MET A 71 0.043 9.280 -2.807 1.00 0.00 S ATOM 373 CE MET A 71 1.136 9.826 -1.495 1.00 0.00 C ATOM 0 H MET A 71 -3.761 7.937 -1.315 1.00 0.00 H new ATOM 0 HA MET A 71 -2.670 9.232 -3.542 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.336 6.464 -2.347 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.428 6.969 -3.758 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.392 8.421 -1.091 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.204 7.232 -1.587 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.779 10.624 -1.866 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.544 10.197 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.751 8.990 -1.162 1.00 0.00 H new ATOM 383 N MET A 72 -4.742 6.775 -4.219 1.00 0.00 N ATOM 384 CA MET A 72 -5.547 6.199 -5.286 1.00 0.00 C ATOM 385 C MET A 72 -6.518 7.239 -5.829 1.00 0.00 C ATOM 386 O MET A 72 -6.374 7.697 -6.962 1.00 0.00 O ATOM 387 CB MET A 72 -6.314 4.972 -4.778 1.00 0.00 C ATOM 388 CG MET A 72 -7.169 4.305 -5.843 1.00 0.00 C ATOM 389 SD MET A 72 -8.109 2.899 -5.210 1.00 0.00 S ATOM 390 CE MET A 72 -6.784 1.797 -4.724 1.00 0.00 C ATOM 0 H MET A 72 -4.968 6.433 -3.285 1.00 0.00 H new ATOM 0 HA MET A 72 -4.883 5.882 -6.090 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.602 4.245 -4.388 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.952 5.271 -3.947 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.859 5.039 -6.260 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.528 3.970 -6.659 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.031 0.778 -5.020 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.859 2.103 -5.213 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.654 1.839 -3.643 1.00 0.00 H new ATOM 400 N ALA A 73 -7.502 7.615 -5.011 1.00 0.00 N ATOM 401 CA ALA A 73 -8.476 8.650 -5.359 1.00 0.00 C ATOM 402 C ALA A 73 -7.842 9.954 -5.820 1.00 0.00 C ATOM 403 O ALA A 73 -8.536 10.806 -6.376 1.00 0.00 O ATOM 404 CB ALA A 73 -9.393 8.914 -4.175 1.00 0.00 C ATOM 0 H ALA A 73 -7.646 7.209 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.045 8.266 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.116 9.685 -4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.920 7.997 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.801 9.249 -3.324 1.00 0.00 H new ATOM 410 N ARG A 74 -6.546 10.127 -5.555 1.00 0.00 N ATOM 411 CA ARG A 74 -5.828 11.315 -5.988 1.00 0.00 C ATOM 412 C ARG A 74 -6.185 11.666 -7.432 1.00 0.00 C ATOM 413 O ARG A 74 -6.537 12.803 -7.739 1.00 0.00 O ATOM 414 CB ARG A 74 -4.312 11.143 -5.874 1.00 0.00 C ATOM 415 CG ARG A 74 -3.556 12.386 -6.311 1.00 0.00 C ATOM 416 CD ARG A 74 -2.059 12.262 -6.101 1.00 0.00 C ATOM 417 NE ARG A 74 -1.371 13.492 -6.488 1.00 0.00 N ATOM 418 CZ ARG A 74 -0.293 13.974 -5.878 1.00 0.00 C ATOM 419 NH1 ARG A 74 0.280 13.291 -4.897 1.00 0.00 N ATOM 420 NH2 ARG A 74 0.219 15.133 -6.267 1.00 0.00 N ATOM 0 H ARG A 74 -5.976 9.455 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.133 12.125 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.052 10.906 -4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.998 10.296 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.757 12.577 -7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.927 13.247 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.852 12.040 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.674 11.427 -6.686 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.743 14.016 -7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.106 12.392 -4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.107 13.664 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.214 15.651 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.046 15.507 -5.802 1.00 0.00 H new ATOM 544 N GLU A 82 -13.984 -0.149 3.529 1.00 0.00 N ATOM 545 CA GLU A 82 -12.665 -0.107 4.127 1.00 0.00 C ATOM 546 C GLU A 82 -12.156 -1.521 4.367 1.00 0.00 C ATOM 547 O GLU A 82 -10.958 -1.752 4.387 1.00 0.00 O ATOM 548 CB GLU A 82 -12.700 0.670 5.445 1.00 0.00 C ATOM 549 CG GLU A 82 -11.333 0.843 6.080 1.00 0.00 C ATOM 550 CD GLU A 82 -11.406 1.480 7.448 1.00 0.00 C ATOM 551 OE1 GLU A 82 -11.402 2.722 7.536 1.00 0.00 O ATOM 552 OE2 GLU A 82 -11.467 0.741 8.448 1.00 0.00 O ATOM 0 HA GLU A 82 -11.988 0.402 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.137 1.653 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.355 0.152 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.848 -0.130 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.709 1.457 5.430 1.00 0.00 H new ATOM 559 N GLU A 83 -13.082 -2.463 4.529 1.00 0.00 N ATOM 560 CA GLU A 83 -12.735 -3.865 4.735 1.00 0.00 C ATOM 561 C GLU A 83 -12.132 -4.464 3.467 1.00 0.00 C ATOM 562 O GLU A 83 -11.235 -5.307 3.524 1.00 0.00 O ATOM 563 CB GLU A 83 -13.971 -4.662 5.149 1.00 0.00 C ATOM 564 CG GLU A 83 -14.593 -4.183 6.448 1.00 0.00 C ATOM 565 CD GLU A 83 -13.676 -4.379 7.636 1.00 0.00 C ATOM 566 OE1 GLU A 83 -13.714 -5.472 8.236 1.00 0.00 O ATOM 567 OE2 GLU A 83 -12.918 -3.447 7.973 1.00 0.00 O ATOM 0 H GLU A 83 -14.085 -2.278 4.521 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.994 -3.918 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.715 -4.602 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.699 -5.712 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.846 -3.126 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.526 -4.720 6.620 1.00 0.00 H new ATOM 574 N GLU A 84 -12.634 -4.023 2.322 1.00 0.00 N ATOM 575 CA GLU A 84 -12.124 -4.438 1.040 1.00 0.00 C ATOM 576 C GLU A 84 -10.720 -3.880 0.847 1.00 0.00 C ATOM 577 O GLU A 84 -9.779 -4.607 0.528 1.00 0.00 O ATOM 578 CB GLU A 84 -13.075 -3.917 -0.032 1.00 0.00 C ATOM 579 CG GLU A 84 -12.508 -3.947 -1.422 1.00 0.00 C ATOM 580 CD GLU A 84 -12.693 -5.281 -2.108 1.00 0.00 C ATOM 581 OE1 GLU A 84 -11.842 -6.172 -1.906 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.687 -5.454 -2.842 1.00 0.00 O ATOM 0 H GLU A 84 -13.410 -3.364 2.265 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.063 -5.524 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.989 -4.511 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.355 -2.892 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.984 -3.169 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.445 -3.711 -1.380 1.00 0.00 H new ATOM 589 N ILE A 85 -10.596 -2.582 1.075 1.00 0.00 N ATOM 590 CA ILE A 85 -9.306 -1.918 0.996 1.00 0.00 C ATOM 591 C ILE A 85 -8.345 -2.512 2.029 1.00 0.00 C ATOM 592 O ILE A 85 -7.154 -2.668 1.776 1.00 0.00 O ATOM 593 CB ILE A 85 -9.434 -0.397 1.203 1.00 0.00 C ATOM 594 CG1 ILE A 85 -10.523 0.162 0.289 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.104 0.294 0.913 1.00 0.00 C ATOM 596 CD1 ILE A 85 -10.313 -0.182 -1.169 1.00 0.00 C ATOM 0 H ILE A 85 -11.374 -1.968 1.316 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.908 -2.083 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.706 -0.207 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.491 -0.223 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.559 1.246 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.212 1.368 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.339 -0.092 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.811 0.100 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.121 0.245 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.360 0.226 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.307 -1.265 -1.290 1.00 0.00 H new ATOM 608 N ARG A 86 -8.903 -2.887 3.172 1.00 0.00 N ATOM 609 CA ARG A 86 -8.166 -3.537 4.252 1.00 0.00 C ATOM 610 C ARG A 86 -7.572 -4.858 3.776 1.00 0.00 C ATOM 611 O ARG A 86 -6.412 -5.184 4.061 1.00 0.00 O ATOM 612 CB ARG A 86 -9.135 -3.776 5.409 1.00 0.00 C ATOM 613 CG ARG A 86 -8.547 -4.445 6.629 1.00 0.00 C ATOM 614 CD ARG A 86 -9.640 -4.692 7.651 1.00 0.00 C ATOM 615 NE ARG A 86 -9.155 -5.372 8.841 1.00 0.00 N ATOM 616 CZ ARG A 86 -9.862 -5.484 9.961 1.00 0.00 C ATOM 617 NH1 ARG A 86 -11.083 -4.961 10.036 1.00 0.00 N ATOM 618 NH2 ARG A 86 -9.356 -6.123 11.004 1.00 0.00 N ATOM 0 H ARG A 86 -9.892 -2.748 3.380 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.342 -2.902 4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.555 -2.817 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.962 -4.386 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.078 -5.388 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.767 -3.817 7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.085 -3.739 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.430 -5.288 7.194 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.223 -5.785 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.479 -4.473 9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.623 -5.048 10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.422 -6.530 10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.900 -6.208 11.863 1.00 0.00 H new ATOM 632 N GLU A 87 -8.365 -5.606 3.024 1.00 0.00 N ATOM 633 CA GLU A 87 -7.914 -6.873 2.495 1.00 0.00 C ATOM 634 C GLU A 87 -6.852 -6.633 1.437 1.00 0.00 C ATOM 635 O GLU A 87 -5.907 -7.408 1.309 1.00 0.00 O ATOM 636 CB GLU A 87 -9.083 -7.667 1.919 1.00 0.00 C ATOM 637 CG GLU A 87 -8.680 -9.039 1.408 1.00 0.00 C ATOM 638 CD GLU A 87 -9.867 -9.902 1.063 1.00 0.00 C ATOM 639 OE1 GLU A 87 -10.453 -10.501 1.984 1.00 0.00 O ATOM 640 OE2 GLU A 87 -10.211 -9.999 -0.134 1.00 0.00 O ATOM 0 H GLU A 87 -9.320 -5.354 2.770 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.481 -7.461 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.848 -7.783 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.532 -7.100 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.051 -8.923 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.078 -9.542 2.165 1.00 0.00 H new ATOM 647 N ALA A 88 -6.983 -5.523 0.716 1.00 0.00 N ATOM 648 CA ALA A 88 -6.003 -5.151 -0.290 1.00 0.00 C ATOM 649 C ALA A 88 -4.670 -4.841 0.375 1.00 0.00 C ATOM 650 O ALA A 88 -3.619 -5.192 -0.143 1.00 0.00 O ATOM 651 CB ALA A 88 -6.491 -3.960 -1.103 1.00 0.00 C ATOM 0 H ALA A 88 -7.759 -4.868 0.812 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.866 -5.989 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.742 -3.698 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.426 -4.218 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.655 -3.110 -0.441 1.00 0.00 H new ATOM 657 N PHE A 89 -4.729 -4.190 1.534 1.00 0.00 N ATOM 658 CA PHE A 89 -3.537 -3.956 2.348 1.00 0.00 C ATOM 659 C PHE A 89 -2.841 -5.263 2.692 1.00 0.00 C ATOM 660 O PHE A 89 -1.619 -5.326 2.753 1.00 0.00 O ATOM 661 CB PHE A 89 -3.897 -3.210 3.637 1.00 0.00 C ATOM 662 CG PHE A 89 -3.914 -1.717 3.483 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.937 -1.097 2.789 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.918 -0.935 4.036 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.967 0.274 2.653 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.940 0.436 3.902 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.924 1.040 3.189 1.00 0.00 C ATOM 0 H PHE A 89 -5.590 -3.814 1.932 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.855 -3.342 1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.877 -3.543 3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.181 -3.479 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.722 -1.694 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.112 -1.405 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.787 0.753 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.170 1.033 4.367 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.903 2.109 3.035 1.00 0.00 H new ATOM 677 N ARG A 90 -3.627 -6.297 2.929 1.00 0.00 N ATOM 678 CA ARG A 90 -3.079 -7.614 3.233 1.00 0.00 C ATOM 679 C ARG A 90 -2.589 -8.337 1.971 1.00 0.00 C ATOM 680 O ARG A 90 -1.720 -9.204 2.049 1.00 0.00 O ATOM 681 CB ARG A 90 -4.113 -8.457 3.977 1.00 0.00 C ATOM 682 CG ARG A 90 -4.456 -7.891 5.344 1.00 0.00 C ATOM 683 CD ARG A 90 -5.535 -8.699 6.044 1.00 0.00 C ATOM 684 NE ARG A 90 -5.136 -10.088 6.277 1.00 0.00 N ATOM 685 CZ ARG A 90 -4.579 -10.530 7.407 1.00 0.00 C ATOM 686 NH1 ARG A 90 -4.318 -9.688 8.403 1.00 0.00 N ATOM 687 NH2 ARG A 90 -4.291 -11.815 7.543 1.00 0.00 N ATOM 0 H ARG A 90 -4.646 -6.255 2.918 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.211 -7.472 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.021 -8.524 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.733 -9.472 4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.559 -7.872 5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.790 -6.859 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.775 -8.229 6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.444 -8.682 5.443 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.294 -10.762 5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.544 -8.698 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.892 -10.032 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.495 -12.466 6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.865 -12.154 8.406 1.00 0.00 H new ATOM 701 N VAL A 91 -3.160 -7.991 0.819 1.00 0.00 N ATOM 702 CA VAL A 91 -2.757 -8.589 -0.458 1.00 0.00 C ATOM 703 C VAL A 91 -1.521 -7.890 -1.039 1.00 0.00 C ATOM 704 O VAL A 91 -0.634 -8.535 -1.598 1.00 0.00 O ATOM 705 CB VAL A 91 -3.914 -8.544 -1.488 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.479 -9.099 -2.835 1.00 0.00 C ATOM 707 CG2 VAL A 91 -5.117 -9.314 -0.970 1.00 0.00 C ATOM 0 H VAL A 91 -3.905 -7.299 0.741 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.505 -9.630 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.193 -7.500 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.314 -9.053 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.649 -8.507 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.162 -10.135 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.920 -9.272 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.837 -10.353 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.458 -8.870 -0.035 1.00 0.00 H new ATOM 717 N PHE A 92 -1.473 -6.572 -0.897 1.00 0.00 N ATOM 718 CA PHE A 92 -0.337 -5.771 -1.359 1.00 0.00 C ATOM 719 C PHE A 92 0.835 -5.843 -0.379 1.00 0.00 C ATOM 720 O PHE A 92 1.753 -5.025 -0.435 1.00 0.00 O ATOM 721 CB PHE A 92 -0.739 -4.310 -1.581 1.00 0.00 C ATOM 722 CG PHE A 92 -1.533 -4.071 -2.838 1.00 0.00 C ATOM 723 CD1 PHE A 92 -0.901 -3.973 -4.066 1.00 0.00 C ATOM 724 CD2 PHE A 92 -2.913 -3.953 -2.786 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.629 -3.764 -5.221 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.647 -3.741 -3.937 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.991 -3.614 -5.158 1.00 0.00 C ATOM 0 H PHE A 92 -2.215 -6.026 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.018 -6.194 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.324 -3.972 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.162 -3.698 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.174 -4.061 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.420 -4.028 -1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.125 -3.719 -6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.724 -3.674 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.553 -3.398 -6.054 1.00 0.00 H new ATOM 737 N ASP A 93 0.792 -6.815 0.516 1.00 0.00 N ATOM 738 CA ASP A 93 1.765 -6.918 1.593 1.00 0.00 C ATOM 739 C ASP A 93 2.417 -8.302 1.574 1.00 0.00 C ATOM 740 O ASP A 93 1.769 -9.296 1.248 1.00 0.00 O ATOM 741 CB ASP A 93 1.059 -6.684 2.937 1.00 0.00 C ATOM 742 CG ASP A 93 2.011 -6.493 4.099 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.083 -7.096 4.126 1.00 0.00 O ATOM 744 OD2 ASP A 93 1.701 -5.749 5.035 1.00 0.00 O ATOM 0 H ASP A 93 0.087 -7.552 0.518 1.00 0.00 H new ATOM 0 HA ASP A 93 2.541 -6.165 1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.420 -5.805 2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.408 -7.532 3.148 1.00 0.00 H new ATOM 749 N LYS A 94 3.704 -8.356 1.919 1.00 0.00 N ATOM 750 CA LYS A 94 4.420 -9.622 2.042 1.00 0.00 C ATOM 751 C LYS A 94 3.988 -10.362 3.302 1.00 0.00 C ATOM 752 O LYS A 94 3.814 -11.579 3.305 1.00 0.00 O ATOM 753 CB LYS A 94 5.931 -9.396 2.123 1.00 0.00 C ATOM 754 CG LYS A 94 6.588 -9.033 0.808 1.00 0.00 C ATOM 755 CD LYS A 94 7.045 -7.581 0.750 1.00 0.00 C ATOM 756 CE LYS A 94 8.289 -7.314 1.596 1.00 0.00 C ATOM 757 NZ LYS A 94 8.007 -7.365 3.058 1.00 0.00 N ATOM 0 H LYS A 94 4.272 -7.533 2.119 1.00 0.00 H new ATOM 0 HA LYS A 94 4.182 -10.211 1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.128 -8.602 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.400 -10.301 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.446 -9.685 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.887 -9.220 -0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.252 -7.312 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.235 -6.937 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.055 -8.049 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.694 -6.335 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.709 -6.791 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.054 -6.990 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.061 -8.350 3.388 1.00 0.00 H new ATOM 771 N ASP A 95 3.839 -9.599 4.366 1.00 0.00 N ATOM 772 CA ASP A 95 3.610 -10.132 5.701 1.00 0.00 C ATOM 773 C ASP A 95 2.167 -9.922 6.152 1.00 0.00 C ATOM 774 O ASP A 95 1.780 -10.342 7.242 1.00 0.00 O ATOM 775 CB ASP A 95 4.562 -9.446 6.683 1.00 0.00 C ATOM 776 CG ASP A 95 4.553 -7.939 6.507 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.528 -7.297 6.766 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.601 -7.360 6.181 1.00 0.00 O ATOM 0 H ASP A 95 3.873 -8.580 4.332 1.00 0.00 H new ATOM 0 HA ASP A 95 3.797 -11.206 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.274 -9.696 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.573 -9.824 6.535 1.00 0.00 H new ATOM 783 N GLY A 96 1.364 -9.315 5.278 1.00 0.00 N ATOM 784 CA GLY A 96 -0.010 -8.970 5.605 1.00 0.00 C ATOM 785 C GLY A 96 -0.190 -8.200 6.907 1.00 0.00 C ATOM 786 O GLY A 96 -1.183 -8.406 7.601 1.00 0.00 O ATOM 0 H GLY A 96 1.648 -9.053 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.423 -8.376 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.596 -9.888 5.660 1.00 0.00 H new ATOM 790 N ASN A 97 0.734 -7.295 7.239 1.00 0.00 N ATOM 791 CA ASN A 97 0.653 -6.553 8.500 1.00 0.00 C ATOM 792 C ASN A 97 -0.414 -5.461 8.460 1.00 0.00 C ATOM 793 O ASN A 97 -0.607 -4.739 9.438 1.00 0.00 O ATOM 794 CB ASN A 97 2.026 -5.953 8.878 1.00 0.00 C ATOM 795 CG ASN A 97 2.428 -4.717 8.071 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.054 -4.820 7.015 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.114 -3.540 8.581 1.00 0.00 N ATOM 0 H ASN A 97 1.539 -7.060 6.659 1.00 0.00 H new ATOM 0 HA ASN A 97 0.359 -7.268 9.269 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.014 -5.691 9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.790 -6.719 8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.391 -2.685 8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.595 -3.486 9.457 1.00 0.00 H new ATOM 804 N GLY A 98 -1.127 -5.349 7.347 1.00 0.00 N ATOM 805 CA GLY A 98 -2.205 -4.385 7.274 1.00 0.00 C ATOM 806 C GLY A 98 -1.730 -3.019 6.837 1.00 0.00 C ATOM 807 O GLY A 98 -2.382 -2.012 7.110 1.00 0.00 O ATOM 0 H GLY A 98 -0.980 -5.902 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.962 -4.743 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.683 -4.305 8.250 1.00 0.00 H new ATOM 811 N TYR A 99 -0.595 -2.992 6.154 1.00 0.00 N ATOM 812 CA TYR A 99 0.005 -1.747 5.697 1.00 0.00 C ATOM 813 C TYR A 99 0.768 -1.989 4.413 1.00 0.00 C ATOM 814 O TYR A 99 1.404 -3.026 4.242 1.00 0.00 O ATOM 815 CB TYR A 99 0.932 -1.134 6.751 1.00 0.00 C ATOM 816 CG TYR A 99 0.207 -0.516 7.924 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.443 0.705 7.797 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.176 -1.150 9.158 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.101 1.276 8.866 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.480 -0.585 10.233 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.132 0.615 10.080 1.00 0.00 C ATOM 822 OH TYR A 99 -1.778 1.195 11.150 1.00 0.00 O ATOM 0 H TYR A 99 -0.067 -3.827 5.902 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.802 -1.036 5.519 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.606 -1.907 7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.550 -0.372 6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.433 1.216 6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.673 -2.101 9.279 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.589 2.233 8.756 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.481 -1.084 11.191 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.712 0.606 11.930 1.00 0.00 H new ATOM 832 N ILE A 100 0.710 -1.028 3.519 1.00 0.00 N ATOM 833 CA ILE A 100 1.282 -1.188 2.199 1.00 0.00 C ATOM 834 C ILE A 100 2.513 -0.302 2.045 1.00 0.00 C ATOM 835 O ILE A 100 2.412 0.914 1.905 1.00 0.00 O ATOM 836 CB ILE A 100 0.231 -0.864 1.115 1.00 0.00 C ATOM 837 CG1 ILE A 100 -0.955 -1.827 1.235 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.833 -0.937 -0.278 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.095 -1.522 0.284 1.00 0.00 C ATOM 0 H ILE A 100 0.270 -0.122 3.682 1.00 0.00 H new ATOM 0 HA ILE A 100 1.591 -2.226 2.074 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.118 0.157 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.605 -2.843 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.331 -1.799 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.067 -0.704 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.648 -0.218 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.216 -1.942 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.895 -2.248 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.474 -0.519 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.737 -1.580 -0.744 1.00 0.00 H new ATOM 851 N SER A 101 3.681 -0.916 2.116 1.00 0.00 N ATOM 852 CA SER A 101 4.930 -0.196 1.943 1.00 0.00 C ATOM 853 C SER A 101 5.476 -0.435 0.538 1.00 0.00 C ATOM 854 O SER A 101 4.903 -1.208 -0.228 1.00 0.00 O ATOM 855 CB SER A 101 5.953 -0.647 2.987 1.00 0.00 C ATOM 856 OG SER A 101 5.398 -0.633 4.291 1.00 0.00 O ATOM 0 H SER A 101 3.790 -1.915 2.293 1.00 0.00 H new ATOM 0 HA SER A 101 4.743 0.869 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.301 -1.652 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.824 0.008 2.953 1.00 0.00 H new ATOM 0 HG SER A 101 6.074 -0.927 4.937 1.00 0.00 H new ATOM 862 N ALA A 102 6.579 0.213 0.198 1.00 0.00 N ATOM 863 CA ALA A 102 7.161 0.067 -1.129 1.00 0.00 C ATOM 864 C ALA A 102 7.644 -1.363 -1.378 1.00 0.00 C ATOM 865 O ALA A 102 7.279 -1.980 -2.376 1.00 0.00 O ATOM 866 CB ALA A 102 8.291 1.056 -1.320 1.00 0.00 C ATOM 0 H ALA A 102 7.088 0.843 0.818 1.00 0.00 H new ATOM 0 HA ALA A 102 6.382 0.280 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.716 0.935 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.909 2.071 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.063 0.875 -0.572 1.00 0.00 H new ATOM 872 N ALA A 103 8.488 -1.872 -0.482 1.00 0.00 N ATOM 873 CA ALA A 103 8.940 -3.262 -0.548 1.00 0.00 C ATOM 874 C ALA A 103 7.768 -4.238 -0.658 1.00 0.00 C ATOM 875 O ALA A 103 7.823 -5.205 -1.421 1.00 0.00 O ATOM 876 CB ALA A 103 9.797 -3.600 0.661 1.00 0.00 C ATOM 0 H ALA A 103 8.874 -1.342 0.300 1.00 0.00 H new ATOM 0 HA ALA A 103 9.541 -3.367 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.125 -4.638 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.668 -2.945 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.214 -3.460 1.571 1.00 0.00 H new ATOM 882 N GLU A 104 6.710 -3.978 0.105 1.00 0.00 N ATOM 883 CA GLU A 104 5.489 -4.776 0.030 1.00 0.00 C ATOM 884 C GLU A 104 4.961 -4.759 -1.395 1.00 0.00 C ATOM 885 O GLU A 104 4.656 -5.804 -1.980 1.00 0.00 O ATOM 886 CB GLU A 104 4.426 -4.197 0.952 1.00 0.00 C ATOM 887 CG GLU A 104 4.936 -3.848 2.350 1.00 0.00 C ATOM 888 CD GLU A 104 5.071 -5.040 3.282 1.00 0.00 C ATOM 889 OE1 GLU A 104 5.650 -6.064 2.878 1.00 0.00 O ATOM 890 OE2 GLU A 104 4.581 -4.959 4.439 1.00 0.00 O ATOM 0 H GLU A 104 6.673 -3.218 0.785 1.00 0.00 H new ATOM 0 HA GLU A 104 5.718 -5.797 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.012 -3.299 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.610 -4.914 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.907 -3.361 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.258 -3.124 2.801 1.00 0.00 H new ATOM 897 N LEU A 105 4.924 -3.557 -1.964 1.00 0.00 N ATOM 898 CA LEU A 105 4.416 -3.355 -3.305 1.00 0.00 C ATOM 899 C LEU A 105 5.264 -4.119 -4.302 1.00 0.00 C ATOM 900 O LEU A 105 4.748 -4.903 -5.075 1.00 0.00 O ATOM 901 CB LEU A 105 4.413 -1.869 -3.666 1.00 0.00 C ATOM 902 CG LEU A 105 3.260 -1.060 -3.082 1.00 0.00 C ATOM 903 CD1 LEU A 105 3.499 0.429 -3.280 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.949 -1.480 -3.727 1.00 0.00 C ATOM 0 H LEU A 105 5.245 -2.704 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 105 3.391 -3.725 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.352 -1.428 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.388 -1.776 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 105 3.202 -1.257 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.666 0.991 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.423 0.719 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.579 0.646 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.132 -0.897 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.000 -1.306 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.774 -2.539 -3.539 1.00 0.00 H new ATOM 916 N ARG A 106 6.578 -3.929 -4.242 1.00 0.00 N ATOM 917 CA ARG A 106 7.476 -4.539 -5.217 1.00 0.00 C ATOM 918 C ARG A 106 7.349 -6.059 -5.219 1.00 0.00 C ATOM 919 O ARG A 106 7.422 -6.682 -6.264 1.00 0.00 O ATOM 920 CB ARG A 106 8.931 -4.139 -4.970 1.00 0.00 C ATOM 921 CG ARG A 106 9.594 -4.956 -3.888 1.00 0.00 C ATOM 922 CD ARG A 106 11.089 -4.706 -3.792 1.00 0.00 C ATOM 923 NE ARG A 106 11.723 -5.655 -2.883 1.00 0.00 N ATOM 924 CZ ARG A 106 13.018 -5.662 -2.573 1.00 0.00 C ATOM 925 NH1 ARG A 106 13.844 -4.766 -3.095 1.00 0.00 N ATOM 926 NH2 ARG A 106 13.485 -6.582 -1.743 1.00 0.00 N ATOM 0 H ARG A 106 7.043 -3.361 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 106 7.177 -4.165 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.494 -4.249 -5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.970 -3.085 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.130 -4.725 -2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.419 -6.015 -4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.539 -4.789 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.269 -3.689 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 106 11.131 -6.365 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.489 -4.061 -3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.834 -4.781 -2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.854 -7.278 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.476 -6.594 -1.500 1.00 0.00 H new ATOM 940 N HIS A 107 7.104 -6.643 -4.059 1.00 0.00 N ATOM 941 CA HIS A 107 7.074 -8.094 -3.935 1.00 0.00 C ATOM 942 C HIS A 107 5.796 -8.646 -4.545 1.00 0.00 C ATOM 943 O HIS A 107 5.805 -9.662 -5.239 1.00 0.00 O ATOM 944 CB HIS A 107 7.171 -8.494 -2.461 1.00 0.00 C ATOM 945 CG HIS A 107 7.157 -9.975 -2.198 1.00 0.00 C ATOM 946 ND1 HIS A 107 8.258 -10.669 -1.744 1.00 0.00 N ATOM 947 CD2 HIS A 107 6.154 -10.882 -2.273 1.00 0.00 C ATOM 948 CE1 HIS A 107 7.931 -11.931 -1.549 1.00 0.00 C ATOM 949 NE2 HIS A 107 6.660 -12.089 -1.863 1.00 0.00 N ATOM 0 H HIS A 107 6.923 -6.139 -3.191 1.00 0.00 H new ATOM 0 HA HIS A 107 7.926 -8.512 -4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 107 8.089 -8.076 -2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.341 -8.037 -1.922 1.00 0.00 H new ATOM 0 HD2 HIS A 107 5.142 -10.690 -2.596 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.593 -12.706 -1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 107 6.139 -12.964 -1.810 1.00 0.00 H new ATOM 958 N VAL A 108 4.704 -7.957 -4.285 1.00 0.00 N ATOM 959 CA VAL A 108 3.410 -8.426 -4.707 1.00 0.00 C ATOM 960 C VAL A 108 3.103 -7.975 -6.134 1.00 0.00 C ATOM 961 O VAL A 108 2.386 -8.646 -6.878 1.00 0.00 O ATOM 962 CB VAL A 108 2.310 -7.957 -3.748 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.628 -8.381 -2.324 1.00 0.00 C ATOM 964 CG2 VAL A 108 2.093 -6.452 -3.835 1.00 0.00 C ATOM 0 H VAL A 108 4.692 -7.070 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 108 3.433 -9.516 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 108 1.379 -8.436 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.836 -8.039 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.700 -9.468 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.576 -7.941 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.306 -6.157 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.017 -5.936 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.800 -6.185 -4.850 1.00 0.00 H new ATOM 974 N MET A 109 3.644 -6.817 -6.492 1.00 0.00 N ATOM 975 CA MET A 109 3.308 -6.158 -7.740 1.00 0.00 C ATOM 976 C MET A 109 4.074 -6.730 -8.936 1.00 0.00 C ATOM 977 O MET A 109 3.489 -7.453 -9.742 1.00 0.00 O ATOM 978 CB MET A 109 3.556 -4.653 -7.592 1.00 0.00 C ATOM 979 CG MET A 109 2.997 -3.813 -8.727 1.00 0.00 C ATOM 980 SD MET A 109 1.240 -4.106 -9.004 1.00 0.00 S ATOM 981 CE MET A 109 0.919 -2.948 -10.334 1.00 0.00 C ATOM 0 H MET A 109 4.325 -6.313 -5.925 1.00 0.00 H new ATOM 0 HA MET A 109 2.253 -6.340 -7.947 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.116 -4.315 -6.654 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.630 -4.479 -7.521 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.155 -2.758 -8.505 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.547 -4.033 -9.642 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.131 -3.007 -10.622 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.147 -1.936 -9.999 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.545 -3.196 -11.191 1.00 0.00 H new ATOM 991 N THR A 110 5.364 -6.422 -9.078 1.00 0.00 N ATOM 992 CA THR A 110 6.129 -6.945 -10.210 1.00 0.00 C ATOM 993 C THR A 110 7.477 -7.541 -9.784 1.00 0.00 C ATOM 994 O THR A 110 7.905 -8.565 -10.310 1.00 0.00 O ATOM 995 CB THR A 110 6.364 -5.840 -11.259 1.00 0.00 C ATOM 996 OG1 THR A 110 5.109 -5.237 -11.609 1.00 0.00 O ATOM 997 CG2 THR A 110 7.029 -6.397 -12.512 1.00 0.00 C ATOM 0 H THR A 110 5.891 -5.827 -8.439 1.00 0.00 H new ATOM 0 HA THR A 110 5.534 -7.748 -10.645 1.00 0.00 H new ATOM 0 HB THR A 110 7.029 -5.094 -10.825 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.258 -4.534 -12.275 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.181 -5.593 -13.232 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.992 -6.835 -12.249 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.391 -7.163 -12.953 1.00 0.00 H new ATOM 1005 N ASN A 111 8.142 -6.888 -8.837 1.00 0.00 N ATOM 1006 CA ASN A 111 9.481 -7.294 -8.398 1.00 0.00 C ATOM 1007 C ASN A 111 9.452 -8.581 -7.569 1.00 0.00 C ATOM 1008 O ASN A 111 8.438 -9.280 -7.531 1.00 0.00 O ATOM 1009 CB ASN A 111 10.152 -6.168 -7.609 1.00 0.00 C ATOM 1010 CG ASN A 111 10.527 -4.984 -8.481 1.00 0.00 C ATOM 1011 OD1 ASN A 111 10.404 -3.828 -8.067 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.014 -5.259 -9.682 1.00 0.00 N ATOM 0 H ASN A 111 7.776 -6.068 -8.353 1.00 0.00 H new ATOM 0 HA ASN A 111 10.065 -7.498 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.480 -5.833 -6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 111 11.048 -6.554 -7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.303 -4.501 -10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.100 -6.228 -9.988 1.00 0.00 H new