USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 414 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 4 THR OG1 : rot 180:sc= -0.442 USER MOD Set 1.2: A 9 GLN : amide:sc= 0.0248 X(o=-0.42,f=-0.68) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.527 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.14 (180deg=0.827) USER MOD Single : A 6 ASN : amide:sc= -3.84! C(o=-3.8!,f=-1.6!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 14 SER OG : rot 120:sc= 0.0404 USER MOD Single : A 16 SER OG : rot 40:sc= -0.598 USER MOD Single : A 21 MET CE :methyl -177:sc= -0.362 (180deg=-0.366) USER MOD Single : A 22 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 26 CYS SG : rot -100:sc= -3.99! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.246 K(o=0.25,f=-3.9!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0.0336 (180deg=-0.0621) USER MOD Single : A 48 THR OG1 : rot 69:sc= 0.223 USER MOD Single : A 51 THR OG1 : rot 87:sc= 0.761 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.912 11.120 -1.141 1.00 0.00 N ATOM 2 CA MET A 1 7.144 9.863 -1.891 1.00 0.00 C ATOM 3 C MET A 1 6.006 9.640 -2.892 1.00 0.00 C ATOM 4 O MET A 1 4.916 9.198 -2.511 1.00 0.00 O ATOM 5 CB MET A 1 7.252 8.638 -0.940 1.00 0.00 C ATOM 6 CG MET A 1 8.347 8.753 0.122 1.00 0.00 C ATOM 7 SD MET A 1 8.500 7.263 1.132 1.00 0.00 S ATOM 8 CE MET A 1 6.819 7.055 1.691 1.00 0.00 C ATOM 0 H1 MET A 1 7.801 11.429 -0.698 1.00 0.00 H new ATOM 0 H2 MET A 1 6.576 11.857 -1.794 1.00 0.00 H new ATOM 0 H3 MET A 1 6.196 10.958 -0.405 1.00 0.00 H new ATOM 0 HA MET A 1 8.091 9.960 -2.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.293 8.496 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.436 7.745 -1.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.300 8.955 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.132 9.604 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.792 6.324 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.435 8.009 2.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.201 6.704 0.864 1.00 0.00 H new ATOM 20 N LEU A 2 6.263 9.941 -4.171 1.00 0.00 N ATOM 21 CA LEU A 2 5.271 9.790 -5.241 1.00 0.00 C ATOM 22 C LEU A 2 5.200 8.304 -5.645 1.00 0.00 C ATOM 23 O LEU A 2 6.036 7.807 -6.406 1.00 0.00 O ATOM 24 CB LEU A 2 5.646 10.699 -6.448 1.00 0.00 C ATOM 25 CG LEU A 2 4.626 10.733 -7.633 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.275 11.346 -7.200 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.216 11.478 -8.847 1.00 0.00 C ATOM 0 H LEU A 2 7.164 10.296 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 2 4.287 10.103 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.779 11.717 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.611 10.372 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 2 4.433 9.703 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.590 11.354 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.847 10.750 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.433 12.367 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.487 11.488 -9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.457 12.503 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.122 10.971 -9.180 1.00 0.00 H new ATOM 39 N VAL A 3 4.215 7.602 -5.073 1.00 0.00 N ATOM 40 CA VAL A 3 4.018 6.148 -5.244 1.00 0.00 C ATOM 41 C VAL A 3 2.760 5.893 -6.089 1.00 0.00 C ATOM 42 O VAL A 3 1.745 6.578 -5.919 1.00 0.00 O ATOM 43 CB VAL A 3 3.894 5.427 -3.840 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.198 5.563 -3.034 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.700 5.961 -3.007 1.00 0.00 C ATOM 0 H VAL A 3 3.517 8.031 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 3 4.886 5.735 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 3 3.709 4.373 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.086 5.059 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.018 5.108 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.414 6.618 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.658 5.435 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.830 7.028 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.772 5.795 -3.554 1.00 0.00 H new ATOM 55 N THR A 4 2.829 4.922 -7.009 1.00 0.00 N ATOM 56 CA THR A 4 1.720 4.629 -7.918 1.00 0.00 C ATOM 57 C THR A 4 0.723 3.687 -7.227 1.00 0.00 C ATOM 58 O THR A 4 0.945 2.486 -7.158 1.00 0.00 O ATOM 59 CB THR A 4 2.247 4.010 -9.253 1.00 0.00 C ATOM 60 OG1 THR A 4 3.370 4.777 -9.726 1.00 0.00 O ATOM 61 CG2 THR A 4 1.161 3.996 -10.343 1.00 0.00 C ATOM 0 H THR A 4 3.646 4.326 -7.141 1.00 0.00 H new ATOM 0 HA THR A 4 1.208 5.558 -8.167 1.00 0.00 H new ATOM 0 HB THR A 4 2.541 2.981 -9.048 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.702 4.389 -10.562 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.567 3.558 -11.255 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.312 3.404 -10.003 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.834 5.016 -10.544 1.00 0.00 H new ATOM 69 N ILE A 5 -0.370 4.264 -6.705 1.00 0.00 N ATOM 70 CA ILE A 5 -1.405 3.527 -5.964 1.00 0.00 C ATOM 71 C ILE A 5 -2.593 3.215 -6.900 1.00 0.00 C ATOM 72 O ILE A 5 -3.327 4.130 -7.287 1.00 0.00 O ATOM 73 CB ILE A 5 -1.889 4.334 -4.692 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.680 4.684 -3.767 1.00 0.00 C ATOM 75 CG2 ILE A 5 -2.981 3.560 -3.899 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.014 5.568 -2.566 1.00 0.00 C ATOM 0 H ILE A 5 -0.562 5.263 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.975 2.590 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.337 5.263 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.241 3.755 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.082 5.184 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.287 4.147 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.843 3.386 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.579 2.604 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.109 5.753 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.422 6.517 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.750 5.066 -1.938 1.00 0.00 H new ATOM 88 N ASN A 6 -2.744 1.916 -7.280 1.00 0.00 N ATOM 89 CA ASN A 6 -3.865 1.396 -8.115 1.00 0.00 C ATOM 90 C ASN A 6 -3.782 1.948 -9.553 1.00 0.00 C ATOM 91 O ASN A 6 -4.804 2.163 -10.214 1.00 0.00 O ATOM 92 CB ASN A 6 -5.262 1.680 -7.465 1.00 0.00 C ATOM 93 CG ASN A 6 -5.495 0.982 -6.116 1.00 0.00 C ATOM 94 OD1 ASN A 6 -6.611 0.553 -5.821 1.00 0.00 O ATOM 95 ND2 ASN A 6 -4.485 0.904 -5.265 1.00 0.00 N ATOM 0 H ASN A 6 -2.081 1.189 -7.011 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.760 0.312 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.371 2.756 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.041 1.368 -8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.623 0.483 -4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.568 1.265 -5.528 1.00 0.00 H new ATOM 102 N GLY A 7 -2.537 2.138 -10.037 1.00 0.00 N ATOM 103 CA GLY A 7 -2.283 2.749 -11.352 1.00 0.00 C ATOM 104 C GLY A 7 -2.486 4.265 -11.368 1.00 0.00 C ATOM 105 O GLY A 7 -2.494 4.880 -12.438 1.00 0.00 O ATOM 0 H GLY A 7 -1.691 1.875 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.261 2.524 -11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.944 2.294 -12.089 1.00 0.00 H new ATOM 109 N GLU A 8 -2.652 4.856 -10.175 1.00 0.00 N ATOM 110 CA GLU A 8 -2.841 6.298 -9.981 1.00 0.00 C ATOM 111 C GLU A 8 -1.780 6.793 -8.981 1.00 0.00 C ATOM 112 O GLU A 8 -1.825 6.420 -7.812 1.00 0.00 O ATOM 113 CB GLU A 8 -4.284 6.555 -9.451 1.00 0.00 C ATOM 114 CG GLU A 8 -4.612 8.028 -9.108 1.00 0.00 C ATOM 115 CD GLU A 8 -4.645 8.970 -10.328 1.00 0.00 C ATOM 116 OE1 GLU A 8 -5.716 9.111 -10.961 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.600 9.574 -10.670 1.00 0.00 O ATOM 0 H GLU A 8 -2.658 4.331 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.723 6.841 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.995 6.207 -10.200 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.439 5.949 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.580 8.066 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.872 8.397 -8.398 1.00 0.00 H new ATOM 124 N GLN A 9 -0.807 7.594 -9.446 1.00 0.00 N ATOM 125 CA GLN A 9 0.268 8.119 -8.579 1.00 0.00 C ATOM 126 C GLN A 9 -0.285 9.091 -7.533 1.00 0.00 C ATOM 127 O GLN A 9 -1.224 9.846 -7.804 1.00 0.00 O ATOM 128 CB GLN A 9 1.394 8.791 -9.404 1.00 0.00 C ATOM 129 CG GLN A 9 2.202 7.805 -10.268 1.00 0.00 C ATOM 130 CD GLN A 9 3.480 8.395 -10.865 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.555 9.583 -11.178 1.00 0.00 O ATOM 132 NE2 GLN A 9 4.501 7.565 -10.997 1.00 0.00 N ATOM 0 H GLN A 9 -0.740 7.894 -10.419 1.00 0.00 H new ATOM 0 HA GLN A 9 0.701 7.266 -8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.955 9.551 -10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.073 9.305 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.464 6.939 -9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.568 7.446 -11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.401 6.587 -10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.388 7.903 -11.369 1.00 0.00 H new ATOM 141 N ARG A 10 0.310 9.040 -6.341 1.00 0.00 N ATOM 142 CA ARG A 10 -0.064 9.853 -5.187 1.00 0.00 C ATOM 143 C ARG A 10 1.179 10.064 -4.314 1.00 0.00 C ATOM 144 O ARG A 10 1.871 9.100 -3.963 1.00 0.00 O ATOM 145 CB ARG A 10 -1.192 9.173 -4.375 1.00 0.00 C ATOM 146 CG ARG A 10 -1.586 9.932 -3.092 1.00 0.00 C ATOM 147 CD ARG A 10 -2.757 9.290 -2.341 1.00 0.00 C ATOM 148 NE ARG A 10 -4.037 9.436 -3.064 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.178 9.909 -2.527 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.231 10.286 -1.250 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.263 9.998 -3.278 1.00 0.00 N ATOM 0 H ARG A 10 1.090 8.412 -6.148 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.443 10.816 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.072 9.072 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.875 8.165 -4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.722 9.982 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.849 10.958 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.549 8.231 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.846 9.745 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.058 9.157 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.399 10.219 -0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.103 10.642 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.231 9.710 -4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.131 10.355 -2.879 1.00 0.00 H new ATOM 165 N GLU A 11 1.459 11.326 -3.984 1.00 0.00 N ATOM 166 CA GLU A 11 2.597 11.706 -3.137 1.00 0.00 C ATOM 167 C GLU A 11 2.201 11.539 -1.655 1.00 0.00 C ATOM 168 O GLU A 11 1.269 12.169 -1.165 1.00 0.00 O ATOM 169 CB GLU A 11 3.092 13.157 -3.468 1.00 0.00 C ATOM 170 CG GLU A 11 2.157 14.330 -3.077 1.00 0.00 C ATOM 171 CD GLU A 11 0.808 14.366 -3.834 1.00 0.00 C ATOM 172 OE1 GLU A 11 0.750 14.933 -4.940 1.00 0.00 O ATOM 173 OE2 GLU A 11 -0.193 13.798 -3.333 1.00 0.00 O ATOM 0 H GLU A 11 0.901 12.120 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 11 3.441 11.048 -3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.050 13.309 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.276 13.215 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.956 14.274 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.682 15.269 -3.254 1.00 0.00 H new ATOM 180 N VAL A 12 2.880 10.631 -0.958 1.00 0.00 N ATOM 181 CA VAL A 12 2.594 10.276 0.446 1.00 0.00 C ATOM 182 C VAL A 12 3.874 10.404 1.280 1.00 0.00 C ATOM 183 O VAL A 12 4.984 10.296 0.758 1.00 0.00 O ATOM 184 CB VAL A 12 2.009 8.815 0.586 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.708 8.658 -0.233 1.00 0.00 C ATOM 186 CG2 VAL A 12 3.048 7.733 0.202 1.00 0.00 C ATOM 0 H VAL A 12 3.661 10.107 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 12 1.836 10.968 0.813 1.00 0.00 H new ATOM 0 HB VAL A 12 1.767 8.664 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.327 7.643 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.036 9.368 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.915 8.852 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.602 6.745 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.358 7.877 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.917 7.815 0.855 1.00 0.00 H new ATOM 196 N GLN A 13 3.700 10.610 2.581 1.00 0.00 N ATOM 197 CA GLN A 13 4.808 10.700 3.556 1.00 0.00 C ATOM 198 C GLN A 13 4.804 9.447 4.458 1.00 0.00 C ATOM 199 O GLN A 13 5.774 9.198 5.192 1.00 0.00 O ATOM 200 CB GLN A 13 4.675 11.997 4.398 1.00 0.00 C ATOM 201 CG GLN A 13 4.667 13.303 3.564 1.00 0.00 C ATOM 202 CD GLN A 13 4.546 14.574 4.405 1.00 0.00 C ATOM 203 OE1 GLN A 13 3.950 14.569 5.479 1.00 0.00 O ATOM 204 NE2 GLN A 13 5.102 15.674 3.919 1.00 0.00 N ATOM 0 H GLN A 13 2.779 10.722 3.004 1.00 0.00 H new ATOM 0 HA GLN A 13 5.759 10.742 3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.754 11.946 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.499 12.040 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.584 13.353 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.838 13.266 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.590 15.646 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.042 16.549 4.440 1.00 0.00 H new ATOM 213 N SER A 14 3.691 8.682 4.380 1.00 0.00 N ATOM 214 CA SER A 14 3.490 7.422 5.110 1.00 0.00 C ATOM 215 C SER A 14 4.606 6.414 4.773 1.00 0.00 C ATOM 216 O SER A 14 4.580 5.789 3.715 1.00 0.00 O ATOM 217 CB SER A 14 2.112 6.829 4.746 1.00 0.00 C ATOM 218 OG SER A 14 1.071 7.767 4.926 1.00 0.00 O ATOM 0 H SER A 14 2.895 8.934 3.794 1.00 0.00 H new ATOM 0 HA SER A 14 3.526 7.626 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.123 6.494 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.920 5.951 5.363 1.00 0.00 H new ATOM 0 HG SER A 14 0.613 7.915 4.073 1.00 0.00 H new ATOM 224 N ALA A 15 5.592 6.307 5.674 1.00 0.00 N ATOM 225 CA ALA A 15 6.769 5.428 5.500 1.00 0.00 C ATOM 226 C ALA A 15 6.428 3.949 5.765 1.00 0.00 C ATOM 227 O ALA A 15 7.216 3.065 5.435 1.00 0.00 O ATOM 228 CB ALA A 15 7.923 5.899 6.406 1.00 0.00 C ATOM 0 H ALA A 15 5.601 6.828 6.551 1.00 0.00 H new ATOM 0 HA ALA A 15 7.087 5.499 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.784 5.244 6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.199 6.920 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.604 5.866 7.448 1.00 0.00 H new ATOM 234 N SER A 16 5.260 3.706 6.376 1.00 0.00 N ATOM 235 CA SER A 16 4.725 2.360 6.640 1.00 0.00 C ATOM 236 C SER A 16 3.444 2.150 5.823 1.00 0.00 C ATOM 237 O SER A 16 2.653 3.087 5.666 1.00 0.00 O ATOM 238 CB SER A 16 4.427 2.195 8.147 1.00 0.00 C ATOM 239 OG SER A 16 3.900 0.909 8.431 1.00 0.00 O ATOM 0 H SER A 16 4.648 4.452 6.707 1.00 0.00 H new ATOM 0 HA SER A 16 5.464 1.614 6.347 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.341 2.350 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.718 2.959 8.465 1.00 0.00 H new ATOM 0 HG SER A 16 4.371 0.237 7.896 1.00 0.00 H new ATOM 245 N VAL A 17 3.255 0.921 5.298 1.00 0.00 N ATOM 246 CA VAL A 17 2.054 0.542 4.522 1.00 0.00 C ATOM 247 C VAL A 17 0.819 0.474 5.441 1.00 0.00 C ATOM 248 O VAL A 17 -0.309 0.688 4.990 1.00 0.00 O ATOM 249 CB VAL A 17 2.269 -0.818 3.745 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.998 -1.277 2.988 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.461 -0.703 2.768 1.00 0.00 C ATOM 0 H VAL A 17 3.930 0.163 5.400 1.00 0.00 H new ATOM 0 HA VAL A 17 1.880 1.314 3.772 1.00 0.00 H new ATOM 0 HB VAL A 17 2.490 -1.578 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.201 -2.215 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.184 -1.422 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.713 -0.517 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.593 -1.649 2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.264 0.089 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.367 -0.468 3.326 1.00 0.00 H new ATOM 261 N ALA A 18 1.047 0.193 6.743 1.00 0.00 N ATOM 262 CA ALA A 18 -0.013 0.253 7.764 1.00 0.00 C ATOM 263 C ALA A 18 -0.550 1.685 7.870 1.00 0.00 C ATOM 264 O ALA A 18 -1.744 1.917 7.689 1.00 0.00 O ATOM 265 CB ALA A 18 0.504 -0.250 9.121 1.00 0.00 C ATOM 0 H ALA A 18 1.960 -0.078 7.109 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.830 -0.403 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.297 -0.196 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.838 -1.283 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.338 0.372 9.446 1.00 0.00 H new ATOM 271 N ALA A 19 0.366 2.648 8.096 1.00 0.00 N ATOM 272 CA ALA A 19 0.026 4.080 8.187 1.00 0.00 C ATOM 273 C ALA A 19 -0.578 4.602 6.867 1.00 0.00 C ATOM 274 O ALA A 19 -1.427 5.500 6.880 1.00 0.00 O ATOM 275 CB ALA A 19 1.267 4.894 8.570 1.00 0.00 C ATOM 0 H ALA A 19 1.360 2.454 8.220 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.729 4.198 8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.004 5.950 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.641 4.554 9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.039 4.758 7.813 1.00 0.00 H new ATOM 281 N LEU A 20 -0.128 4.013 5.742 1.00 0.00 N ATOM 282 CA LEU A 20 -0.601 4.366 4.398 1.00 0.00 C ATOM 283 C LEU A 20 -2.071 3.969 4.205 1.00 0.00 C ATOM 284 O LEU A 20 -2.877 4.796 3.807 1.00 0.00 O ATOM 285 CB LEU A 20 0.288 3.694 3.320 1.00 0.00 C ATOM 286 CG LEU A 20 -0.074 4.015 1.835 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.001 5.525 1.546 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.807 3.222 0.861 1.00 0.00 C ATOM 0 H LEU A 20 0.577 3.276 5.745 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.529 5.448 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.322 3.992 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.240 2.614 3.459 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.107 3.702 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.259 5.709 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.702 6.053 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.010 5.884 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.529 3.468 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.853 3.479 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.665 2.154 1.029 1.00 0.00 H new ATOM 300 N MET A 21 -2.409 2.702 4.498 1.00 0.00 N ATOM 301 CA MET A 21 -3.776 2.172 4.302 1.00 0.00 C ATOM 302 C MET A 21 -4.743 2.689 5.390 1.00 0.00 C ATOM 303 O MET A 21 -5.957 2.633 5.213 1.00 0.00 O ATOM 304 CB MET A 21 -3.767 0.622 4.217 1.00 0.00 C ATOM 305 CG MET A 21 -2.924 0.069 3.049 1.00 0.00 C ATOM 306 SD MET A 21 -3.174 -1.698 2.761 1.00 0.00 S ATOM 307 CE MET A 21 -4.804 -1.729 2.015 1.00 0.00 C ATOM 0 H MET A 21 -1.752 2.019 4.874 1.00 0.00 H new ATOM 0 HA MET A 21 -4.147 2.545 3.347 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.383 0.218 5.154 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.792 0.267 4.113 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.172 0.617 2.140 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.869 0.251 3.253 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.103 -2.762 1.836 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.520 -1.255 2.686 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.781 -1.189 1.068 1.00 0.00 H new ATOM 317 N THR A 22 -4.189 3.177 6.522 1.00 0.00 N ATOM 318 CA THR A 22 -4.950 3.956 7.518 1.00 0.00 C ATOM 319 C THR A 22 -5.363 5.309 6.902 1.00 0.00 C ATOM 320 O THR A 22 -6.519 5.729 7.012 1.00 0.00 O ATOM 321 CB THR A 22 -4.106 4.203 8.814 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.719 2.948 9.384 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.864 5.028 9.875 1.00 0.00 C ATOM 0 H THR A 22 -3.208 3.042 6.768 1.00 0.00 H new ATOM 0 HA THR A 22 -5.836 3.385 7.796 1.00 0.00 H new ATOM 0 HB THR A 22 -3.230 4.779 8.516 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.014 2.544 8.837 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.229 5.167 10.750 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.127 6.001 9.460 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.772 4.500 10.166 1.00 0.00 H new ATOM 331 N GLU A 23 -4.392 5.952 6.223 1.00 0.00 N ATOM 332 CA GLU A 23 -4.561 7.267 5.578 1.00 0.00 C ATOM 333 C GLU A 23 -5.538 7.195 4.392 1.00 0.00 C ATOM 334 O GLU A 23 -6.383 8.077 4.220 1.00 0.00 O ATOM 335 CB GLU A 23 -3.169 7.783 5.129 1.00 0.00 C ATOM 336 CG GLU A 23 -3.204 9.005 4.200 1.00 0.00 C ATOM 337 CD GLU A 23 -1.821 9.613 3.963 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.072 9.116 3.091 1.00 0.00 O ATOM 339 OE2 GLU A 23 -1.468 10.576 4.665 1.00 0.00 O ATOM 0 H GLU A 23 -3.455 5.566 6.106 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.995 7.964 6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.587 8.035 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.643 6.974 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.636 8.715 3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.860 9.763 4.629 1.00 0.00 H new ATOM 346 N LEU A 24 -5.422 6.120 3.608 1.00 0.00 N ATOM 347 CA LEU A 24 -6.271 5.868 2.430 1.00 0.00 C ATOM 348 C LEU A 24 -7.638 5.280 2.859 1.00 0.00 C ATOM 349 O LEU A 24 -8.568 5.193 2.048 1.00 0.00 O ATOM 350 CB LEU A 24 -5.524 4.917 1.455 1.00 0.00 C ATOM 351 CG LEU A 24 -4.149 5.434 0.921 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.426 4.354 0.099 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.303 6.737 0.114 1.00 0.00 C ATOM 0 H LEU A 24 -4.730 5.389 3.771 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.471 6.808 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.362 3.964 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.173 4.719 0.602 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.531 5.661 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.473 4.745 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.248 3.479 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.044 4.071 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.325 7.064 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.957 6.561 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.736 7.510 0.750 1.00 0.00 H new ATOM 365 N ASP A 25 -7.716 4.880 4.157 1.00 0.00 N ATOM 366 CA ASP A 25 -8.930 4.340 4.811 1.00 0.00 C ATOM 367 C ASP A 25 -9.372 3.019 4.143 1.00 0.00 C ATOM 368 O ASP A 25 -10.549 2.689 4.046 1.00 0.00 O ATOM 369 CB ASP A 25 -10.055 5.420 4.846 1.00 0.00 C ATOM 370 CG ASP A 25 -11.226 5.075 5.784 1.00 0.00 C ATOM 371 OD1 ASP A 25 -10.972 4.728 6.955 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.400 5.154 5.367 1.00 0.00 O ATOM 0 H ASP A 25 -6.916 4.927 4.788 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.702 4.094 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.622 6.371 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.441 5.560 3.836 1.00 0.00 H new ATOM 377 N CYS A 26 -8.364 2.254 3.719 1.00 0.00 N ATOM 378 CA CYS A 26 -8.517 0.967 3.028 1.00 0.00 C ATOM 379 C CYS A 26 -8.402 -0.218 4.012 1.00 0.00 C ATOM 380 O CYS A 26 -7.760 -1.229 3.720 1.00 0.00 O ATOM 381 CB CYS A 26 -7.458 0.899 1.918 1.00 0.00 C ATOM 382 SG CYS A 26 -7.533 2.294 0.775 1.00 0.00 S ATOM 0 H CYS A 26 -7.388 2.519 3.850 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.511 0.893 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.468 0.863 2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.587 -0.028 1.359 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.156 1.935 -0.308 1.00 0.00 H new ATOM 439 N TYR A 31 -9.570 -5.945 3.864 1.00 0.00 N ATOM 440 CA TYR A 31 -8.824 -5.470 2.673 1.00 0.00 C ATOM 441 C TYR A 31 -7.371 -5.984 2.684 1.00 0.00 C ATOM 442 O TYR A 31 -6.903 -6.567 3.665 1.00 0.00 O ATOM 443 CB TYR A 31 -8.826 -3.908 2.627 1.00 0.00 C ATOM 444 CG TYR A 31 -9.881 -3.291 1.704 1.00 0.00 C ATOM 445 CD1 TYR A 31 -11.172 -3.029 2.155 1.00 0.00 C ATOM 446 CD2 TYR A 31 -9.569 -2.967 0.385 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.114 -2.469 1.325 1.00 0.00 C ATOM 448 CE2 TYR A 31 -10.509 -2.401 -0.452 1.00 0.00 C ATOM 449 CZ TYR A 31 -11.778 -2.156 0.022 1.00 0.00 C ATOM 450 OH TYR A 31 -12.715 -1.589 -0.807 1.00 0.00 O ATOM 0 HA TYR A 31 -9.322 -5.863 1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.982 -3.530 3.637 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.841 -3.567 2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.438 -3.270 3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.575 -3.162 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.112 -2.275 1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.251 -2.152 -1.471 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.318 -1.430 -1.689 1.00 0.00 H new ATOM 460 N ALA A 32 -6.668 -5.710 1.577 1.00 0.00 N ATOM 461 CA ALA A 32 -5.263 -6.085 1.383 1.00 0.00 C ATOM 462 C ALA A 32 -4.585 -5.118 0.403 1.00 0.00 C ATOM 463 O ALA A 32 -5.248 -4.310 -0.265 1.00 0.00 O ATOM 464 CB ALA A 32 -5.167 -7.526 0.874 1.00 0.00 C ATOM 0 H ALA A 32 -7.066 -5.214 0.780 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.746 -6.022 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.120 -7.793 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.619 -8.200 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.694 -7.612 -0.076 1.00 0.00 H new ATOM 470 N VAL A 33 -3.260 -5.221 0.328 1.00 0.00 N ATOM 471 CA VAL A 33 -2.421 -4.409 -0.563 1.00 0.00 C ATOM 472 C VAL A 33 -1.506 -5.338 -1.363 1.00 0.00 C ATOM 473 O VAL A 33 -1.011 -6.311 -0.824 1.00 0.00 O ATOM 474 CB VAL A 33 -1.564 -3.372 0.257 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.709 -4.071 1.339 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.685 -2.489 -0.659 1.00 0.00 C ATOM 0 H VAL A 33 -2.726 -5.881 0.893 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.062 -3.846 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.270 -2.713 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.131 -3.325 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.362 -4.602 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.030 -4.780 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.112 -1.790 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.001 -3.121 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.321 -1.933 -1.348 1.00 0.00 H new ATOM 486 N ALA A 34 -1.318 -5.059 -2.656 1.00 0.00 N ATOM 487 CA ALA A 34 -0.335 -5.750 -3.491 1.00 0.00 C ATOM 488 C ALA A 34 0.811 -4.785 -3.774 1.00 0.00 C ATOM 489 O ALA A 34 0.659 -3.847 -4.552 1.00 0.00 O ATOM 490 CB ALA A 34 -0.973 -6.265 -4.789 1.00 0.00 C ATOM 0 H ALA A 34 -1.847 -4.343 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 34 0.047 -6.626 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.218 -6.774 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.776 -6.962 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.379 -5.425 -5.353 1.00 0.00 H new ATOM 496 N LEU A 35 1.938 -4.985 -3.093 1.00 0.00 N ATOM 497 CA LEU A 35 3.156 -4.226 -3.361 1.00 0.00 C ATOM 498 C LEU A 35 3.960 -4.990 -4.422 1.00 0.00 C ATOM 499 O LEU A 35 4.507 -6.060 -4.128 1.00 0.00 O ATOM 500 CB LEU A 35 3.993 -4.033 -2.074 1.00 0.00 C ATOM 501 CG LEU A 35 5.336 -3.244 -2.261 1.00 0.00 C ATOM 502 CD1 LEU A 35 5.088 -1.764 -2.622 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.243 -3.389 -1.028 1.00 0.00 C ATOM 0 H LEU A 35 2.032 -5.673 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 35 2.899 -3.230 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.383 -3.510 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.222 -5.014 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 35 5.861 -3.689 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.044 -1.254 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.526 -1.706 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.519 -1.285 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.166 -2.831 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.729 -2.997 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.478 -4.442 -0.871 1.00 0.00 H new ATOM 515 N ASN A 36 3.968 -4.442 -5.658 1.00 0.00 N ATOM 516 CA ASN A 36 4.660 -5.023 -6.833 1.00 0.00 C ATOM 517 C ASN A 36 4.068 -6.406 -7.177 1.00 0.00 C ATOM 518 O ASN A 36 4.787 -7.340 -7.544 1.00 0.00 O ATOM 519 CB ASN A 36 6.199 -5.066 -6.580 1.00 0.00 C ATOM 520 CG ASN A 36 6.831 -3.675 -6.389 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.156 -2.693 -6.060 1.00 0.00 O ATOM 522 ND2 ASN A 36 8.143 -3.593 -6.528 1.00 0.00 N ATOM 0 H ASN A 36 3.486 -3.569 -5.872 1.00 0.00 H new ATOM 0 HA ASN A 36 4.498 -4.389 -7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.397 -5.670 -5.695 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.683 -5.564 -7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.619 -2.706 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.679 -4.417 -6.800 1.00 0.00 H new ATOM 529 N TYR A 37 2.726 -6.489 -7.015 1.00 0.00 N ATOM 530 CA TYR A 37 1.888 -7.677 -7.285 1.00 0.00 C ATOM 531 C TYR A 37 2.085 -8.796 -6.247 1.00 0.00 C ATOM 532 O TYR A 37 1.595 -9.913 -6.432 1.00 0.00 O ATOM 533 CB TYR A 37 2.052 -8.197 -8.746 1.00 0.00 C ATOM 534 CG TYR A 37 1.522 -7.216 -9.808 1.00 0.00 C ATOM 535 CD1 TYR A 37 0.151 -6.980 -9.938 1.00 0.00 C ATOM 536 CD2 TYR A 37 2.379 -6.522 -10.665 1.00 0.00 C ATOM 537 CE1 TYR A 37 -0.342 -6.100 -10.881 1.00 0.00 C ATOM 538 CE2 TYR A 37 1.889 -5.640 -11.608 1.00 0.00 C ATOM 539 CZ TYR A 37 0.527 -5.429 -11.713 1.00 0.00 C ATOM 540 OH TYR A 37 0.036 -4.550 -12.654 1.00 0.00 O ATOM 0 H TYR A 37 2.178 -5.697 -6.679 1.00 0.00 H new ATOM 0 HA TYR A 37 0.855 -7.345 -7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.107 -8.393 -8.938 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.528 -9.147 -8.846 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.538 -7.497 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.445 -6.678 -10.589 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.406 -5.938 -10.966 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.569 -5.116 -12.263 1.00 0.00 H new ATOM 0 HH TYR A 37 0.781 -4.160 -13.158 1.00 0.00 H new ATOM 550 N ASP A 38 2.766 -8.472 -5.140 1.00 0.00 N ATOM 551 CA ASP A 38 2.879 -9.356 -3.967 1.00 0.00 C ATOM 552 C ASP A 38 1.964 -8.813 -2.867 1.00 0.00 C ATOM 553 O ASP A 38 2.237 -7.747 -2.294 1.00 0.00 O ATOM 554 CB ASP A 38 4.345 -9.434 -3.481 1.00 0.00 C ATOM 555 CG ASP A 38 4.514 -10.270 -2.195 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.473 -11.513 -2.276 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.684 -9.690 -1.100 1.00 0.00 O ATOM 0 H ASP A 38 3.258 -7.585 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 38 2.573 -10.368 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.961 -9.865 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.716 -8.425 -3.302 1.00 0.00 H new ATOM 562 N VAL A 39 0.868 -9.536 -2.599 1.00 0.00 N ATOM 563 CA VAL A 39 -0.111 -9.155 -1.585 1.00 0.00 C ATOM 564 C VAL A 39 0.487 -9.348 -0.179 1.00 0.00 C ATOM 565 O VAL A 39 0.906 -10.452 0.174 1.00 0.00 O ATOM 566 CB VAL A 39 -1.458 -9.953 -1.732 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.471 -9.588 -0.616 1.00 0.00 C ATOM 568 CG2 VAL A 39 -2.086 -9.714 -3.123 1.00 0.00 C ATOM 0 H VAL A 39 0.639 -10.404 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.349 -8.102 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.218 -11.011 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.388 -10.161 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.040 -9.822 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.698 -8.523 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.017 -10.275 -3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.291 -8.651 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.394 -10.047 -3.897 1.00 0.00 H new ATOM 578 N VAL A 40 0.506 -8.267 0.602 1.00 0.00 N ATOM 579 CA VAL A 40 1.083 -8.231 1.945 1.00 0.00 C ATOM 580 C VAL A 40 -0.026 -8.518 2.987 1.00 0.00 C ATOM 581 O VAL A 40 -1.089 -7.869 2.938 1.00 0.00 O ATOM 582 CB VAL A 40 1.749 -6.834 2.238 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.424 -6.805 3.633 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.759 -6.446 1.123 1.00 0.00 C ATOM 0 H VAL A 40 0.112 -7.372 0.311 1.00 0.00 H new ATOM 0 HA VAL A 40 1.858 -8.994 2.012 1.00 0.00 H new ATOM 0 HB VAL A 40 0.952 -6.090 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.873 -5.826 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.677 -6.998 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.198 -7.571 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.202 -5.477 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.545 -7.199 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.240 -6.389 0.166 1.00 0.00 H new ATOM 594 N PRO A 41 0.181 -9.520 3.910 1.00 0.00 N ATOM 595 CA PRO A 41 -0.711 -9.743 5.082 1.00 0.00 C ATOM 596 C PRO A 41 -0.876 -8.463 5.954 1.00 0.00 C ATOM 597 O PRO A 41 0.074 -7.686 6.092 1.00 0.00 O ATOM 598 CB PRO A 41 0.004 -10.877 5.880 1.00 0.00 C ATOM 599 CG PRO A 41 1.375 -11.006 5.276 1.00 0.00 C ATOM 600 CD PRO A 41 1.254 -10.545 3.845 1.00 0.00 C ATOM 0 HA PRO A 41 -1.725 -10.004 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.066 -10.629 6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.546 -11.815 5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.098 -10.398 5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.725 -12.037 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.190 -10.126 3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.988 -11.365 3.178 1.00 0.00 H new ATOM 608 N ARG A 42 -2.083 -8.279 6.539 1.00 0.00 N ATOM 609 CA ARG A 42 -2.459 -7.057 7.290 1.00 0.00 C ATOM 610 C ARG A 42 -1.544 -6.812 8.499 1.00 0.00 C ATOM 611 O ARG A 42 -1.101 -5.682 8.730 1.00 0.00 O ATOM 612 CB ARG A 42 -3.950 -7.087 7.730 1.00 0.00 C ATOM 613 CG ARG A 42 -4.409 -5.796 8.452 1.00 0.00 C ATOM 614 CD ARG A 42 -5.911 -5.747 8.746 1.00 0.00 C ATOM 615 NE ARG A 42 -6.275 -4.497 9.425 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.521 -4.057 9.646 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.581 -4.731 9.233 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.695 -2.935 10.303 1.00 0.00 N ATOM 0 H ARG A 42 -2.826 -8.976 6.503 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.325 -6.222 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.576 -7.245 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.108 -7.939 8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.862 -5.703 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.141 -4.935 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.470 -5.835 7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.191 -6.597 9.368 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.510 -3.911 9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.462 -5.611 8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.518 -4.371 9.416 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.887 -2.410 10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.638 -2.588 10.479 1.00 0.00 H new ATOM 632 N GLY A 43 -1.224 -7.889 9.230 1.00 0.00 N ATOM 633 CA GLY A 43 -0.330 -7.827 10.395 1.00 0.00 C ATOM 634 C GLY A 43 1.146 -7.702 10.014 1.00 0.00 C ATOM 635 O GLY A 43 2.020 -7.887 10.862 1.00 0.00 O ATOM 0 H GLY A 43 -1.576 -8.825 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.612 -6.977 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.468 -8.723 10.999 1.00 0.00 H new ATOM 639 N LYS A 44 1.420 -7.422 8.724 1.00 0.00 N ATOM 640 CA LYS A 44 2.775 -7.227 8.190 1.00 0.00 C ATOM 641 C LYS A 44 2.877 -5.876 7.444 1.00 0.00 C ATOM 642 O LYS A 44 3.969 -5.480 7.056 1.00 0.00 O ATOM 643 CB LYS A 44 3.116 -8.417 7.256 1.00 0.00 C ATOM 644 CG LYS A 44 4.601 -8.560 6.897 1.00 0.00 C ATOM 645 CD LYS A 44 4.925 -9.868 6.151 1.00 0.00 C ATOM 646 CE LYS A 44 6.432 -10.034 5.878 1.00 0.00 C ATOM 647 NZ LYS A 44 7.230 -10.033 7.132 1.00 0.00 N ATOM 0 H LYS A 44 0.692 -7.324 8.016 1.00 0.00 H new ATOM 0 HA LYS A 44 3.496 -7.197 9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.783 -9.339 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.544 -8.310 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.901 -7.714 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.194 -8.514 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.570 -10.715 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.384 -9.887 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.602 -10.967 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.774 -9.227 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.220 -10.265 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.184 -9.092 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.845 -10.742 7.789 1.00 0.00 H new ATOM 661 N TRP A 45 1.727 -5.167 7.264 1.00 0.00 N ATOM 662 CA TRP A 45 1.693 -3.807 6.648 1.00 0.00 C ATOM 663 C TRP A 45 2.652 -2.830 7.381 1.00 0.00 C ATOM 664 O TRP A 45 3.243 -1.938 6.763 1.00 0.00 O ATOM 665 CB TRP A 45 0.252 -3.210 6.657 1.00 0.00 C ATOM 666 CG TRP A 45 -0.778 -3.894 5.792 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.579 -4.868 4.859 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.187 -3.606 5.770 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.775 -5.235 4.292 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.777 -4.466 4.829 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.005 -2.713 6.474 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.147 -4.456 4.568 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.361 -2.700 6.212 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.923 -3.570 5.269 1.00 0.00 C ATOM 0 H TRP A 45 0.808 -5.516 7.538 1.00 0.00 H new ATOM 0 HA TRP A 45 2.022 -3.924 5.615 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.111 -3.216 7.685 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.316 -2.167 6.348 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.381 -5.290 4.603 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.898 -5.961 3.586 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.582 -2.045 7.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.582 -5.123 3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.998 -2.008 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.988 -3.542 5.091 1.00 0.00 H new ATOM 685 N ASP A 46 2.780 -3.026 8.703 1.00 0.00 N ATOM 686 CA ASP A 46 3.690 -2.245 9.571 1.00 0.00 C ATOM 687 C ASP A 46 5.157 -2.622 9.291 1.00 0.00 C ATOM 688 O ASP A 46 6.035 -1.755 9.259 1.00 0.00 O ATOM 689 CB ASP A 46 3.334 -2.455 11.077 1.00 0.00 C ATOM 690 CG ASP A 46 3.480 -3.912 11.569 1.00 0.00 C ATOM 691 OD1 ASP A 46 2.870 -4.813 10.961 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.175 -4.155 12.583 1.00 0.00 O ATOM 0 H ASP A 46 2.252 -3.737 9.209 1.00 0.00 H new ATOM 0 HA ASP A 46 3.562 -1.187 9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.975 -1.814 11.682 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.307 -2.129 11.244 1.00 0.00 H new ATOM 697 N GLU A 47 5.395 -3.926 9.075 1.00 0.00 N ATOM 698 CA GLU A 47 6.720 -4.479 8.720 1.00 0.00 C ATOM 699 C GLU A 47 7.141 -4.083 7.288 1.00 0.00 C ATOM 700 O GLU A 47 8.323 -4.176 6.939 1.00 0.00 O ATOM 701 CB GLU A 47 6.684 -6.021 8.849 1.00 0.00 C ATOM 702 CG GLU A 47 6.326 -6.536 10.255 1.00 0.00 C ATOM 703 CD GLU A 47 6.130 -8.060 10.311 1.00 0.00 C ATOM 704 OE1 GLU A 47 6.992 -8.801 9.785 1.00 0.00 O ATOM 705 OE2 GLU A 47 5.125 -8.527 10.881 1.00 0.00 O ATOM 0 H GLU A 47 4.667 -4.637 9.142 1.00 0.00 H new ATOM 0 HA GLU A 47 7.456 -4.062 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.960 -6.416 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.659 -6.419 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.116 -6.252 10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.413 -6.046 10.592 1.00 0.00 H new ATOM 712 N THR A 48 6.165 -3.655 6.468 1.00 0.00 N ATOM 713 CA THR A 48 6.407 -3.263 5.074 1.00 0.00 C ATOM 714 C THR A 48 6.576 -1.728 4.982 1.00 0.00 C ATOM 715 O THR A 48 5.641 -0.989 5.321 1.00 0.00 O ATOM 716 CB THR A 48 5.230 -3.729 4.151 1.00 0.00 C ATOM 717 OG1 THR A 48 4.902 -5.083 4.462 1.00 0.00 O ATOM 718 CG2 THR A 48 5.593 -3.631 2.657 1.00 0.00 C ATOM 0 H THR A 48 5.190 -3.572 6.755 1.00 0.00 H new ATOM 0 HA THR A 48 7.322 -3.748 4.733 1.00 0.00 H new ATOM 0 HB THR A 48 4.381 -3.070 4.333 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.496 -5.125 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.748 -3.964 2.055 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.831 -2.597 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.457 -4.262 2.450 1.00 0.00 H new ATOM 726 N PRO A 49 7.794 -1.213 4.606 1.00 0.00 N ATOM 727 CA PRO A 49 7.975 0.219 4.261 1.00 0.00 C ATOM 728 C PRO A 49 7.347 0.583 2.886 1.00 0.00 C ATOM 729 O PRO A 49 7.161 -0.284 2.023 1.00 0.00 O ATOM 730 CB PRO A 49 9.521 0.395 4.250 1.00 0.00 C ATOM 731 CG PRO A 49 10.060 -0.969 3.923 1.00 0.00 C ATOM 732 CD PRO A 49 9.095 -1.956 4.561 1.00 0.00 C ATOM 0 HA PRO A 49 7.474 0.881 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.830 1.131 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.886 0.744 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.118 -1.119 2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.068 -1.097 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.012 -2.870 3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.423 -2.247 5.559 1.00 0.00 H new ATOM 740 N VAL A 50 7.012 1.873 2.716 1.00 0.00 N ATOM 741 CA VAL A 50 6.550 2.452 1.441 1.00 0.00 C ATOM 742 C VAL A 50 7.732 3.194 0.800 1.00 0.00 C ATOM 743 O VAL A 50 8.384 4.003 1.471 1.00 0.00 O ATOM 744 CB VAL A 50 5.357 3.456 1.666 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.865 4.091 0.346 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.187 2.783 2.405 1.00 0.00 C ATOM 0 H VAL A 50 7.055 2.555 3.473 1.00 0.00 H new ATOM 0 HA VAL A 50 6.192 1.652 0.793 1.00 0.00 H new ATOM 0 HB VAL A 50 5.746 4.259 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.042 4.775 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.683 4.640 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.522 3.307 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.381 3.504 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.823 1.940 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.527 2.428 3.378 1.00 0.00 H new ATOM 756 N THR A 51 8.018 2.916 -0.481 1.00 0.00 N ATOM 757 CA THR A 51 9.114 3.567 -1.221 1.00 0.00 C ATOM 758 C THR A 51 8.578 4.158 -2.532 1.00 0.00 C ATOM 759 O THR A 51 7.791 3.511 -3.241 1.00 0.00 O ATOM 760 CB THR A 51 10.287 2.568 -1.506 1.00 0.00 C ATOM 761 OG1 THR A 51 9.768 1.377 -2.106 1.00 0.00 O ATOM 762 CG2 THR A 51 11.072 2.207 -0.231 1.00 0.00 C ATOM 0 H THR A 51 7.498 2.235 -1.034 1.00 0.00 H new ATOM 0 HA THR A 51 9.513 4.371 -0.602 1.00 0.00 H new ATOM 0 HB THR A 51 10.980 3.062 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.715 1.496 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.874 1.512 -0.482 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.498 3.112 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.400 1.741 0.490 1.00 0.00 H new ATOM 770 N ALA A 52 9.009 5.400 -2.824 1.00 0.00 N ATOM 771 CA ALA A 52 8.565 6.190 -3.988 1.00 0.00 C ATOM 772 C ALA A 52 8.845 5.479 -5.329 1.00 0.00 C ATOM 773 O ALA A 52 9.952 4.976 -5.547 1.00 0.00 O ATOM 774 CB ALA A 52 9.243 7.562 -3.954 1.00 0.00 C ATOM 0 H ALA A 52 9.690 5.892 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 52 7.483 6.307 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.918 8.150 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.970 8.080 -3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.325 7.434 -3.990 1.00 0.00 H new ATOM 780 N GLY A 53 7.831 5.468 -6.216 1.00 0.00 N ATOM 781 CA GLY A 53 7.953 4.888 -7.557 1.00 0.00 C ATOM 782 C GLY A 53 7.487 3.441 -7.661 1.00 0.00 C ATOM 783 O GLY A 53 7.469 2.890 -8.763 1.00 0.00 O ATOM 0 H GLY A 53 6.910 5.860 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.376 5.494 -8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.995 4.945 -7.871 1.00 0.00 H new ATOM 787 N ASP A 54 7.138 2.806 -6.520 1.00 0.00 N ATOM 788 CA ASP A 54 6.644 1.399 -6.502 1.00 0.00 C ATOM 789 C ASP A 54 5.120 1.320 -6.661 1.00 0.00 C ATOM 790 O ASP A 54 4.405 2.320 -6.498 1.00 0.00 O ATOM 791 CB ASP A 54 7.110 0.663 -5.215 1.00 0.00 C ATOM 792 CG ASP A 54 8.611 0.346 -5.259 1.00 0.00 C ATOM 793 OD1 ASP A 54 9.428 1.237 -4.957 1.00 0.00 O ATOM 794 OD2 ASP A 54 8.984 -0.777 -5.649 1.00 0.00 O ATOM 0 H ASP A 54 7.187 3.239 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 54 7.082 0.893 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.893 1.280 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.545 -0.262 -5.099 1.00 0.00 H new ATOM 799 N GLU A 55 4.653 0.102 -6.984 1.00 0.00 N ATOM 800 CA GLU A 55 3.261 -0.185 -7.363 1.00 0.00 C ATOM 801 C GLU A 55 2.484 -0.700 -6.134 1.00 0.00 C ATOM 802 O GLU A 55 2.728 -1.799 -5.649 1.00 0.00 O ATOM 803 CB GLU A 55 3.214 -1.237 -8.520 1.00 0.00 C ATOM 804 CG GLU A 55 4.055 -0.890 -9.782 1.00 0.00 C ATOM 805 CD GLU A 55 5.581 -1.066 -9.603 1.00 0.00 C ATOM 806 OE1 GLU A 55 6.020 -2.161 -9.208 1.00 0.00 O ATOM 807 OE2 GLU A 55 6.346 -0.111 -9.842 1.00 0.00 O ATOM 0 H GLU A 55 5.246 -0.728 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 55 2.794 0.733 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.557 -2.195 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.176 -1.370 -8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.724 -1.519 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.852 0.143 -10.066 1.00 0.00 H new ATOM 814 N ILE A 56 1.580 0.133 -5.612 1.00 0.00 N ATOM 815 CA ILE A 56 0.755 -0.183 -4.440 1.00 0.00 C ATOM 816 C ILE A 56 -0.713 -0.342 -4.872 1.00 0.00 C ATOM 817 O ILE A 56 -1.450 0.629 -5.010 1.00 0.00 O ATOM 818 CB ILE A 56 0.929 0.958 -3.370 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.438 1.074 -2.974 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.033 0.744 -2.127 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.772 2.203 -2.024 1.00 0.00 C ATOM 0 H ILE A 56 1.397 1.060 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 56 1.072 -1.124 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 56 0.602 1.896 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.751 0.134 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.027 1.200 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.191 1.558 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.013 0.726 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.289 -0.203 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.841 2.196 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.498 3.155 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.218 2.072 -1.095 1.00 0.00 H new ATOM 833 N GLU A 57 -1.125 -1.593 -5.084 1.00 0.00 N ATOM 834 CA GLU A 57 -2.511 -1.941 -5.454 1.00 0.00 C ATOM 835 C GLU A 57 -3.319 -2.217 -4.182 1.00 0.00 C ATOM 836 O GLU A 57 -2.778 -2.685 -3.195 1.00 0.00 O ATOM 837 CB GLU A 57 -2.528 -3.160 -6.437 1.00 0.00 C ATOM 838 CG GLU A 57 -2.526 -2.797 -7.953 1.00 0.00 C ATOM 839 CD GLU A 57 -1.333 -1.934 -8.421 1.00 0.00 C ATOM 840 OE1 GLU A 57 -1.339 -0.708 -8.177 1.00 0.00 O ATOM 841 OE2 GLU A 57 -0.403 -2.473 -9.056 1.00 0.00 O ATOM 0 H GLU A 57 -0.509 -2.402 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.974 -1.105 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.659 -3.785 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.412 -3.763 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.535 -3.721 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.450 -2.267 -8.185 1.00 0.00 H new ATOM 848 N ILE A 58 -4.603 -1.854 -4.197 1.00 0.00 N ATOM 849 CA ILE A 58 -5.519 -2.083 -3.067 1.00 0.00 C ATOM 850 C ILE A 58 -6.678 -2.948 -3.548 1.00 0.00 C ATOM 851 O ILE A 58 -7.461 -2.540 -4.413 1.00 0.00 O ATOM 852 CB ILE A 58 -6.014 -0.724 -2.446 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.790 0.064 -1.867 1.00 0.00 C ATOM 854 CG2 ILE A 58 -7.093 -0.955 -1.363 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.099 1.467 -1.402 1.00 0.00 C ATOM 0 H ILE A 58 -5.042 -1.392 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.994 -2.607 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.478 -0.130 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.378 -0.498 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.014 0.113 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.411 0.005 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.949 -1.464 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.680 -1.569 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.191 1.931 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.480 2.052 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.850 1.432 -0.613 1.00 0.00 H new ATOM 867 N LEU A 59 -6.746 -4.161 -2.994 1.00 0.00 N ATOM 868 CA LEU A 59 -7.700 -5.201 -3.388 1.00 0.00 C ATOM 869 C LEU A 59 -8.275 -5.841 -2.124 1.00 0.00 C ATOM 870 O LEU A 59 -7.644 -5.813 -1.071 1.00 0.00 O ATOM 871 CB LEU A 59 -7.048 -6.255 -4.369 1.00 0.00 C ATOM 872 CG LEU A 59 -5.709 -7.027 -3.981 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.526 -6.093 -3.666 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.907 -8.074 -2.861 1.00 0.00 C ATOM 0 H LEU A 59 -6.124 -4.454 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.518 -4.754 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.805 -7.013 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.856 -5.738 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.445 -7.573 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.650 -6.689 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.305 -5.479 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.785 -5.449 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.956 -8.562 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.272 -7.579 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.633 -8.820 -3.185 1.00 0.00 H new