USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 69 THR OG1 : rot 180:sc= 0.726 USER MOD Set 1.2: A 72 SER OG : rot 77:sc= 0.818 USER MOD Set 2.1: A 9 ASN : amide:sc= 1.1 K(o=2.3,f=-9.9!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.0297) USER MOD Single : A 1 MET CE :methyl -127:sc=-0.00432 (180deg=-2.96!) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.613 (180deg=0.0515!) USER MOD Single : A 2 GLN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.17) USER MOD Single : A 16 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.13) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 23 THR OG1 : rot -37:sc= 0.239 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -28:sc= 0.283 USER MOD Single : A 28 SER OG : rot -110:sc= -0.0981 USER MOD Single : A 33 ASN : amide:sc= 0.646 K(o=0.65,f=-0.68) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 40 MET CE :methyl -169:sc= -0.0115 (180deg=-0.162) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 47 THR OG1 : rot 76:sc= 0.567 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 31:sc= 0.191 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 65 GLN : amide:sc= -0.0385 X(o=-0.038,f=-0.038) USER MOD Single : A 66 THR OG1 : rot -151:sc= 1.02 USER MOD Single : A 79 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0.017) USER MOD Single : A 80 LYS NZ :NH3+ 159:sc= 1.91 (180deg=1.31) USER MOD Single : A 82 SER OG : rot 84:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.348 -8.651 -5.219 1.00 0.00 N ATOM 2 CA MET A 1 -6.913 -8.276 -5.258 1.00 0.00 C ATOM 3 C MET A 1 -6.057 -9.415 -4.724 1.00 0.00 C ATOM 4 O MET A 1 -6.517 -10.213 -3.907 1.00 0.00 O ATOM 5 CB MET A 1 -6.649 -6.965 -4.464 1.00 0.00 C ATOM 6 CG MET A 1 -7.326 -5.745 -5.090 1.00 0.00 C ATOM 7 SD MET A 1 -9.129 -5.946 -5.142 1.00 0.00 S ATOM 8 CE MET A 1 -9.673 -4.816 -6.415 1.00 0.00 C ATOM 0 H1 MET A 1 -8.930 -7.791 -5.168 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.591 -9.184 -6.079 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.530 -9.242 -4.383 1.00 0.00 H new ATOM 0 HA MET A 1 -6.638 -8.091 -6.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.005 -7.087 -3.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.575 -6.790 -4.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.074 -4.853 -4.517 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.945 -5.594 -6.100 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.452 -4.166 -6.016 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.830 -4.210 -6.748 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.069 -5.381 -7.258 1.00 0.00 H new ATOM 18 N GLN A 2 -4.820 -9.497 -5.220 1.00 0.00 N ATOM 19 CA GLN A 2 -3.838 -10.505 -4.791 1.00 0.00 C ATOM 20 C GLN A 2 -2.969 -9.906 -3.701 1.00 0.00 C ATOM 21 O GLN A 2 -2.864 -10.427 -2.586 1.00 0.00 O ATOM 22 CB GLN A 2 -2.927 -10.910 -5.984 1.00 0.00 C ATOM 23 CG GLN A 2 -3.678 -11.228 -7.274 1.00 0.00 C ATOM 24 CD GLN A 2 -4.599 -12.447 -7.162 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.189 -13.577 -7.419 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.841 -12.230 -6.761 1.00 0.00 N ATOM 0 H GLN A 2 -4.466 -8.863 -5.936 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.366 -11.386 -4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.223 -10.101 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.339 -11.782 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.271 -10.360 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.956 -11.401 -8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.152 -11.281 -6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.488 -13.012 -6.658 1.00 0.00 H new ATOM 35 N HIS A 3 -2.402 -8.752 -4.061 1.00 0.00 N ATOM 36 CA HIS A 3 -1.295 -8.137 -3.362 1.00 0.00 C ATOM 37 C HIS A 3 -1.681 -7.566 -1.991 1.00 0.00 C ATOM 38 O HIS A 3 -0.780 -7.332 -1.199 1.00 0.00 O ATOM 39 CB HIS A 3 -0.645 -7.037 -4.230 1.00 0.00 C ATOM 40 CG HIS A 3 0.031 -7.521 -5.497 1.00 0.00 C ATOM 41 ND1 HIS A 3 1.260 -8.142 -5.501 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.337 -7.432 -6.799 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.613 -8.412 -6.740 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.662 -7.992 -7.548 1.00 0.00 N ATOM 0 H HIS A 3 -2.716 -8.214 -4.869 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.574 -8.934 -3.179 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.412 -6.312 -4.502 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.092 -6.509 -3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.251 -6.998 -7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.529 -8.897 -7.043 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.669 -8.071 -8.565 1.00 0.00 H new ATOM 53 N LEU A 4 -3.000 -7.347 -1.720 1.00 0.00 N ATOM 54 CA LEU A 4 -3.480 -6.761 -0.431 1.00 0.00 C ATOM 55 C LEU A 4 -2.890 -7.469 0.815 1.00 0.00 C ATOM 56 O LEU A 4 -2.633 -6.819 1.834 1.00 0.00 O ATOM 57 CB LEU A 4 -5.041 -6.768 -0.321 1.00 0.00 C ATOM 58 CG LEU A 4 -5.733 -8.111 0.112 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.211 -7.890 0.460 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.579 -9.217 -0.957 1.00 0.00 C ATOM 0 H LEU A 4 -3.750 -7.567 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.123 -5.731 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.331 -5.996 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.448 -6.477 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.219 -8.454 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.661 -8.838 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.289 -7.179 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.735 -7.496 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.073 -10.126 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.035 -8.887 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.521 -9.419 -1.122 1.00 0.00 H new ATOM 72 N GLU A 5 -2.674 -8.802 0.712 1.00 0.00 N ATOM 73 CA GLU A 5 -2.195 -9.613 1.838 1.00 0.00 C ATOM 74 C GLU A 5 -0.713 -9.316 2.128 1.00 0.00 C ATOM 75 O GLU A 5 -0.319 -9.181 3.288 1.00 0.00 O ATOM 76 CB GLU A 5 -2.429 -11.123 1.592 1.00 0.00 C ATOM 77 CG GLU A 5 -1.966 -12.020 2.765 1.00 0.00 C ATOM 78 CD GLU A 5 -2.493 -13.461 2.702 1.00 0.00 C ATOM 79 OE1 GLU A 5 -2.020 -14.241 1.860 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.398 -13.815 3.488 1.00 0.00 O ATOM 0 H GLU A 5 -2.827 -9.332 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.775 -9.338 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.491 -11.293 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.901 -11.421 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.876 -12.044 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.289 -11.568 3.703 1.00 0.00 H new ATOM 87 N ALA A 6 0.084 -9.200 1.057 1.00 0.00 N ATOM 88 CA ALA A 6 1.506 -8.824 1.146 1.00 0.00 C ATOM 89 C ALA A 6 1.666 -7.380 1.658 1.00 0.00 C ATOM 90 O ALA A 6 2.604 -7.084 2.402 1.00 0.00 O ATOM 91 CB ALA A 6 2.187 -9.011 -0.218 1.00 0.00 C ATOM 0 H ALA A 6 -0.237 -9.364 0.103 1.00 0.00 H new ATOM 0 HA ALA A 6 1.995 -9.480 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.238 -8.730 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.111 -10.055 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.696 -8.380 -0.959 1.00 0.00 H new ATOM 97 N VAL A 7 0.710 -6.505 1.286 1.00 0.00 N ATOM 98 CA VAL A 7 0.699 -5.100 1.710 1.00 0.00 C ATOM 99 C VAL A 7 0.460 -5.016 3.234 1.00 0.00 C ATOM 100 O VAL A 7 1.248 -4.394 3.941 1.00 0.00 O ATOM 101 CB VAL A 7 -0.382 -4.237 0.942 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.403 -2.780 1.462 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.156 -4.238 -0.589 1.00 0.00 C ATOM 0 H VAL A 7 -0.073 -6.757 0.684 1.00 0.00 H new ATOM 0 HA VAL A 7 1.674 -4.680 1.461 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.346 -4.705 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.155 -2.210 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.645 -2.776 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.576 -2.326 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.924 -3.632 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.827 -3.823 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.212 -5.260 -0.964 1.00 0.00 H new ATOM 113 N ARG A 8 -0.597 -5.709 3.729 1.00 0.00 N ATOM 114 CA ARG A 8 -0.965 -5.694 5.174 1.00 0.00 C ATOM 115 C ARG A 8 0.092 -6.421 6.007 1.00 0.00 C ATOM 116 O ARG A 8 0.278 -6.110 7.180 1.00 0.00 O ATOM 117 CB ARG A 8 -2.370 -6.315 5.428 1.00 0.00 C ATOM 118 CG ARG A 8 -2.492 -7.820 5.125 1.00 0.00 C ATOM 119 CD ARG A 8 -3.916 -8.374 5.290 1.00 0.00 C ATOM 120 NE ARG A 8 -3.978 -9.833 5.045 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.098 -10.574 5.071 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.272 -10.025 5.359 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.038 -11.869 4.803 1.00 0.00 N ATOM 0 H ARG A 8 -1.210 -6.285 3.152 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.007 -4.649 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.639 -6.149 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.100 -5.779 4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.157 -8.004 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.820 -8.369 5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.273 -8.161 6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.586 -7.862 4.599 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.102 -10.313 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.332 -9.028 5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.114 -10.601 5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.143 -12.302 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.887 -12.434 4.822 1.00 0.00 H new ATOM 137 N ASN A 9 0.792 -7.375 5.365 1.00 0.00 N ATOM 138 CA ASN A 9 1.910 -8.114 5.962 1.00 0.00 C ATOM 139 C ASN A 9 3.042 -7.137 6.331 1.00 0.00 C ATOM 140 O ASN A 9 3.538 -7.124 7.478 1.00 0.00 O ATOM 141 CB ASN A 9 2.394 -9.181 4.945 1.00 0.00 C ATOM 142 CG ASN A 9 3.616 -9.992 5.370 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.828 -10.277 6.547 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.429 -10.374 4.399 1.00 0.00 N ATOM 0 H ASN A 9 0.591 -7.655 4.405 1.00 0.00 H new ATOM 0 HA ASN A 9 1.593 -8.615 6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.572 -9.871 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.621 -8.682 4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.261 -10.922 4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.224 -10.120 3.433 1.00 0.00 H new ATOM 151 N ILE A 10 3.399 -6.300 5.341 1.00 0.00 N ATOM 152 CA ILE A 10 4.428 -5.267 5.488 1.00 0.00 C ATOM 153 C ILE A 10 3.998 -4.213 6.527 1.00 0.00 C ATOM 154 O ILE A 10 4.754 -3.915 7.446 1.00 0.00 O ATOM 155 CB ILE A 10 4.732 -4.576 4.109 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.277 -5.615 3.077 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.723 -3.401 4.279 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.463 -5.072 1.674 1.00 0.00 C ATOM 0 H ILE A 10 2.977 -6.325 4.413 1.00 0.00 H new ATOM 0 HA ILE A 10 5.339 -5.751 5.839 1.00 0.00 H new ATOM 0 HB ILE A 10 3.796 -4.171 3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.234 -5.996 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.592 -6.462 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.914 -2.943 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.295 -2.659 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.659 -3.772 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.844 -5.861 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.506 -4.718 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.173 -4.245 1.695 1.00 0.00 H new ATOM 170 N LEU A 11 2.765 -3.688 6.379 1.00 0.00 N ATOM 171 CA LEU A 11 2.217 -2.634 7.260 1.00 0.00 C ATOM 172 C LEU A 11 2.183 -3.089 8.728 1.00 0.00 C ATOM 173 O LEU A 11 2.474 -2.314 9.632 1.00 0.00 O ATOM 174 CB LEU A 11 0.790 -2.243 6.800 1.00 0.00 C ATOM 175 CG LEU A 11 0.671 -1.633 5.364 1.00 0.00 C ATOM 176 CD1 LEU A 11 -0.805 -1.520 4.936 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.389 -0.268 5.262 1.00 0.00 C ATOM 0 H LEU A 11 2.120 -3.982 5.646 1.00 0.00 H new ATOM 0 HA LEU A 11 2.874 -1.767 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.159 -3.130 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.385 -1.524 7.512 1.00 0.00 H new ATOM 0 HG LEU A 11 1.172 -2.313 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.862 -1.093 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.260 -2.510 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.338 -0.876 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.284 0.124 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.944 0.431 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.446 -0.395 5.494 1.00 0.00 H new ATOM 189 N GLY A 12 1.821 -4.355 8.948 1.00 0.00 N ATOM 190 CA GLY A 12 1.783 -4.919 10.282 1.00 0.00 C ATOM 191 C GLY A 12 3.156 -5.158 10.871 1.00 0.00 C ATOM 192 O GLY A 12 3.310 -5.143 12.093 1.00 0.00 O ATOM 0 H GLY A 12 1.550 -5.005 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.226 -4.248 10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.238 -5.863 10.254 1.00 0.00 H new ATOM 196 N ASP A 13 4.155 -5.397 10.010 1.00 0.00 N ATOM 197 CA ASP A 13 5.554 -5.558 10.447 1.00 0.00 C ATOM 198 C ASP A 13 6.174 -4.189 10.809 1.00 0.00 C ATOM 199 O ASP A 13 6.911 -4.082 11.787 1.00 0.00 O ATOM 200 CB ASP A 13 6.372 -6.252 9.335 1.00 0.00 C ATOM 201 CG ASP A 13 7.828 -6.559 9.744 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.057 -7.541 10.484 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.750 -5.838 9.308 1.00 0.00 O ATOM 0 H ASP A 13 4.022 -5.484 9.002 1.00 0.00 H new ATOM 0 HA ASP A 13 5.575 -6.182 11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.877 -7.183 9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.378 -5.617 8.449 1.00 0.00 H new ATOM 208 N VAL A 14 5.853 -3.149 10.017 1.00 0.00 N ATOM 209 CA VAL A 14 6.417 -1.793 10.199 1.00 0.00 C ATOM 210 C VAL A 14 5.764 -1.095 11.407 1.00 0.00 C ATOM 211 O VAL A 14 6.455 -0.661 12.331 1.00 0.00 O ATOM 212 CB VAL A 14 6.259 -0.909 8.897 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.833 0.518 9.096 1.00 0.00 C ATOM 214 CG2 VAL A 14 6.924 -1.590 7.677 1.00 0.00 C ATOM 0 H VAL A 14 5.200 -3.221 9.237 1.00 0.00 H new ATOM 0 HA VAL A 14 7.484 -1.906 10.390 1.00 0.00 H new ATOM 0 HB VAL A 14 5.190 -0.815 8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.705 1.093 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.304 1.012 9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.894 0.453 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.800 -0.960 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.986 -1.733 7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.455 -2.558 7.500 1.00 0.00 H new ATOM 224 N LEU A 15 4.419 -1.026 11.404 1.00 0.00 N ATOM 225 CA LEU A 15 3.639 -0.326 12.456 1.00 0.00 C ATOM 226 C LEU A 15 3.381 -1.228 13.685 1.00 0.00 C ATOM 227 O LEU A 15 2.701 -0.799 14.624 1.00 0.00 O ATOM 228 CB LEU A 15 2.294 0.240 11.902 1.00 0.00 C ATOM 229 CG LEU A 15 2.377 1.361 10.807 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.466 2.400 11.139 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.565 0.785 9.387 1.00 0.00 C ATOM 0 H LEU A 15 3.840 -1.450 10.679 1.00 0.00 H new ATOM 0 HA LEU A 15 4.251 0.515 12.782 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.723 -0.592 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.722 0.633 12.743 1.00 0.00 H new ATOM 0 HG LEU A 15 1.415 1.874 10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.494 3.160 10.358 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.240 2.871 12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.435 1.905 11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.616 1.602 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.489 0.208 9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.723 0.138 9.142 1.00 0.00 H new ATOM 243 N ASN A 16 3.906 -2.475 13.653 1.00 0.00 N ATOM 244 CA ASN A 16 3.936 -3.394 14.820 1.00 0.00 C ATOM 245 C ASN A 16 2.497 -3.818 15.242 1.00 0.00 C ATOM 246 O ASN A 16 2.117 -3.780 16.417 1.00 0.00 O ATOM 247 CB ASN A 16 4.772 -2.759 15.988 1.00 0.00 C ATOM 248 CG ASN A 16 5.085 -3.725 17.145 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.369 -3.788 18.144 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.166 -4.482 17.022 1.00 0.00 N ATOM 0 H ASN A 16 4.324 -2.876 12.813 1.00 0.00 H new ATOM 0 HA ASN A 16 4.442 -4.318 14.538 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.711 -2.381 15.583 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.227 -1.902 16.384 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.419 -5.134 17.764 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.745 -4.413 16.185 1.00 0.00 H new ATOM 257 N LEU A 17 1.690 -4.202 14.234 1.00 0.00 N ATOM 258 CA LEU A 17 0.348 -4.796 14.440 1.00 0.00 C ATOM 259 C LEU A 17 0.487 -6.272 14.853 1.00 0.00 C ATOM 260 O LEU A 17 -0.316 -6.770 15.646 1.00 0.00 O ATOM 261 CB LEU A 17 -0.533 -4.686 13.151 1.00 0.00 C ATOM 262 CG LEU A 17 -1.190 -3.294 12.840 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.156 -2.163 12.742 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.040 -3.360 11.547 1.00 0.00 C ATOM 0 H LEU A 17 1.948 -4.110 13.251 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.147 -4.238 15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.084 -4.965 12.297 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.330 -5.426 13.224 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.842 -3.063 13.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.664 -1.223 12.526 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.380 -2.077 13.687 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.552 -2.385 11.943 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.484 -2.384 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.404 -3.642 10.708 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.830 -4.101 11.669 1.00 0.00 H new ATOM 276 N GLY A 18 1.513 -6.951 14.292 1.00 0.00 N ATOM 277 CA GLY A 18 1.771 -8.363 14.572 1.00 0.00 C ATOM 278 C GLY A 18 0.700 -9.291 14.004 1.00 0.00 C ATOM 279 O GLY A 18 0.794 -9.724 12.854 1.00 0.00 O ATOM 0 H GLY A 18 2.175 -6.531 13.639 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.740 -8.639 14.156 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.834 -8.508 15.650 1.00 0.00 H new ATOM 283 N GLU A 19 -0.324 -9.581 14.820 1.00 0.00 N ATOM 284 CA GLU A 19 -1.442 -10.474 14.456 1.00 0.00 C ATOM 285 C GLU A 19 -2.613 -9.665 13.860 1.00 0.00 C ATOM 286 O GLU A 19 -3.360 -10.163 13.006 1.00 0.00 O ATOM 287 CB GLU A 19 -1.904 -11.247 15.724 1.00 0.00 C ATOM 288 CG GLU A 19 -3.022 -12.281 15.488 1.00 0.00 C ATOM 289 CD GLU A 19 -3.497 -12.973 16.776 1.00 0.00 C ATOM 290 OE1 GLU A 19 -4.321 -12.388 17.508 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.055 -14.104 17.063 1.00 0.00 O ATOM 0 H GLU A 19 -0.403 -9.199 15.763 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.107 -11.183 13.699 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.042 -11.758 16.153 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.248 -10.526 16.465 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.871 -11.786 15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.665 -13.037 14.789 1.00 0.00 H new ATOM 298 N ARG A 20 -2.730 -8.391 14.297 1.00 0.00 N ATOM 299 CA ARG A 20 -3.865 -7.504 13.950 1.00 0.00 C ATOM 300 C ARG A 20 -3.888 -7.181 12.438 1.00 0.00 C ATOM 301 O ARG A 20 -4.948 -6.895 11.873 1.00 0.00 O ATOM 302 CB ARG A 20 -3.804 -6.215 14.829 1.00 0.00 C ATOM 303 CG ARG A 20 -5.068 -5.296 14.813 1.00 0.00 C ATOM 304 CD ARG A 20 -5.056 -4.231 13.702 1.00 0.00 C ATOM 305 NE ARG A 20 -6.247 -3.359 13.754 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.278 -2.110 14.248 1.00 0.00 C ATOM 307 NH1 ARG A 20 -5.209 -1.591 14.834 1.00 0.00 N ATOM 308 NH2 ARG A 20 -7.390 -1.393 14.164 1.00 0.00 N ATOM 0 H ARG A 20 -2.039 -7.947 14.902 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.801 -8.020 14.164 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.614 -6.514 15.860 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.948 -5.623 14.506 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.955 -5.918 14.695 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.154 -4.798 15.779 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.157 -3.622 13.795 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.009 -4.722 12.730 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.119 -3.737 13.384 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.353 -2.141 14.913 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.242 -0.642 15.206 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.221 -1.790 13.725 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.415 -0.445 14.539 1.00 0.00 H new ATOM 322 N LYS A 21 -2.715 -7.268 11.791 1.00 0.00 N ATOM 323 CA LYS A 21 -2.580 -7.023 10.342 1.00 0.00 C ATOM 324 C LYS A 21 -3.338 -8.074 9.511 1.00 0.00 C ATOM 325 O LYS A 21 -3.756 -7.797 8.390 1.00 0.00 O ATOM 326 CB LYS A 21 -1.103 -7.013 9.933 1.00 0.00 C ATOM 327 CG LYS A 21 -0.399 -8.369 10.077 1.00 0.00 C ATOM 328 CD LYS A 21 1.048 -8.346 9.572 1.00 0.00 C ATOM 329 CE LYS A 21 1.645 -9.742 9.494 1.00 0.00 C ATOM 330 NZ LYS A 21 3.075 -9.721 9.090 1.00 0.00 N ATOM 0 H LYS A 21 -1.837 -7.508 12.252 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.020 -6.047 10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.027 -6.686 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.575 -6.277 10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.408 -8.668 11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.959 -9.124 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.081 -7.882 8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.654 -7.729 10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.551 -10.230 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.077 -10.339 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.575 -10.514 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.145 -9.811 8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.507 -8.824 9.389 1.00 0.00 H new ATOM 344 N HIS A 22 -3.505 -9.281 10.072 1.00 0.00 N ATOM 345 CA HIS A 22 -4.130 -10.407 9.365 1.00 0.00 C ATOM 346 C HIS A 22 -5.645 -10.450 9.633 1.00 0.00 C ATOM 347 O HIS A 22 -6.394 -11.010 8.832 1.00 0.00 O ATOM 348 CB HIS A 22 -3.450 -11.732 9.779 1.00 0.00 C ATOM 349 CG HIS A 22 -3.874 -12.930 8.965 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.617 -13.970 9.475 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.655 -13.235 7.660 1.00 0.00 C ATOM 352 CE1 HIS A 22 -4.835 -14.858 8.523 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.259 -14.436 7.419 1.00 0.00 N ATOM 0 H HIS A 22 -3.212 -9.503 11.024 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.992 -10.269 8.293 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.370 -11.614 9.694 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.668 -11.926 10.829 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.106 -12.639 6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.393 -15.776 8.632 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.263 -14.927 6.525 1.00 0.00 H new ATOM 362 N THR A 23 -6.090 -9.844 10.760 1.00 0.00 N ATOM 363 CA THR A 23 -7.530 -9.802 11.125 1.00 0.00 C ATOM 364 C THR A 23 -8.240 -8.601 10.460 1.00 0.00 C ATOM 365 O THR A 23 -9.453 -8.409 10.634 1.00 0.00 O ATOM 366 CB THR A 23 -7.749 -9.790 12.686 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.123 -10.075 13.008 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.371 -8.453 13.338 1.00 0.00 C ATOM 0 H THR A 23 -5.477 -9.379 11.430 1.00 0.00 H new ATOM 0 HA THR A 23 -7.979 -10.719 10.744 1.00 0.00 H new ATOM 0 HB THR A 23 -7.089 -10.562 13.082 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.708 -9.663 12.338 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.545 -8.510 14.413 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.318 -8.242 13.151 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.981 -7.656 12.914 1.00 0.00 H new ATOM 376 N LEU A 24 -7.481 -7.786 9.696 1.00 0.00 N ATOM 377 CA LEU A 24 -8.052 -6.703 8.878 1.00 0.00 C ATOM 378 C LEU A 24 -8.080 -7.116 7.398 1.00 0.00 C ATOM 379 O LEU A 24 -7.298 -7.973 6.960 1.00 0.00 O ATOM 380 CB LEU A 24 -7.313 -5.352 9.123 1.00 0.00 C ATOM 381 CG LEU A 24 -5.765 -5.255 8.874 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.403 -5.146 7.375 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.156 -4.069 9.661 1.00 0.00 C ATOM 0 H LEU A 24 -6.466 -7.862 9.631 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.084 -6.534 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.791 -4.601 8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.495 -5.065 10.159 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.334 -6.188 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.320 -5.082 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.770 -6.026 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.864 -4.252 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.083 -4.021 9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.623 -3.139 9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.332 -4.211 10.727 1.00 0.00 H new ATOM 395 N THR A 25 -8.982 -6.483 6.633 1.00 0.00 N ATOM 396 CA THR A 25 -9.247 -6.811 5.221 1.00 0.00 C ATOM 397 C THR A 25 -9.001 -5.574 4.332 1.00 0.00 C ATOM 398 O THR A 25 -8.475 -4.569 4.811 1.00 0.00 O ATOM 399 CB THR A 25 -10.716 -7.334 5.067 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.637 -6.379 5.621 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.927 -8.701 5.750 1.00 0.00 C ATOM 0 H THR A 25 -9.558 -5.717 6.982 1.00 0.00 H new ATOM 0 HA THR A 25 -8.565 -7.598 4.898 1.00 0.00 H new ATOM 0 HB THR A 25 -10.900 -7.463 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.553 -6.711 5.520 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.961 -9.020 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.259 -9.438 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.711 -8.613 6.815 1.00 0.00 H new ATOM 409 N ALA A 26 -9.351 -5.664 3.034 1.00 0.00 N ATOM 410 CA ALA A 26 -9.136 -4.574 2.056 1.00 0.00 C ATOM 411 C ALA A 26 -9.836 -3.258 2.463 1.00 0.00 C ATOM 412 O ALA A 26 -9.266 -2.172 2.331 1.00 0.00 O ATOM 413 CB ALA A 26 -9.601 -5.013 0.664 1.00 0.00 C ATOM 0 H ALA A 26 -9.790 -6.492 2.632 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.065 -4.371 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.438 -4.203 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.034 -5.890 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.662 -5.259 0.696 1.00 0.00 H new ATOM 419 N SER A 27 -11.061 -3.372 2.992 1.00 0.00 N ATOM 420 CA SER A 27 -11.873 -2.207 3.400 1.00 0.00 C ATOM 421 C SER A 27 -11.369 -1.576 4.731 1.00 0.00 C ATOM 422 O SER A 27 -11.897 -0.545 5.162 1.00 0.00 O ATOM 423 CB SER A 27 -13.358 -2.632 3.498 1.00 0.00 C ATOM 424 OG SER A 27 -14.216 -1.530 3.758 1.00 0.00 O ATOM 0 H SER A 27 -11.520 -4.269 3.151 1.00 0.00 H new ATOM 0 HA SER A 27 -11.771 -1.430 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.659 -3.113 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.471 -3.373 4.290 1.00 0.00 H new ATOM 0 HG SER A 27 -13.724 -0.843 4.254 1.00 0.00 H new ATOM 430 N SER A 28 -10.345 -2.193 5.365 1.00 0.00 N ATOM 431 CA SER A 28 -9.716 -1.656 6.589 1.00 0.00 C ATOM 432 C SER A 28 -8.962 -0.361 6.280 1.00 0.00 C ATOM 433 O SER A 28 -8.240 -0.276 5.285 1.00 0.00 O ATOM 434 CB SER A 28 -8.745 -2.669 7.201 1.00 0.00 C ATOM 435 OG SER A 28 -8.173 -2.186 8.402 1.00 0.00 O ATOM 0 H SER A 28 -9.936 -3.070 5.044 1.00 0.00 H new ATOM 0 HA SER A 28 -10.512 -1.453 7.305 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.270 -3.603 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.954 -2.893 6.485 1.00 0.00 H new ATOM 0 HG SER A 28 -7.223 -1.992 8.257 1.00 0.00 H new ATOM 441 N VAL A 29 -9.118 0.618 7.167 1.00 0.00 N ATOM 442 CA VAL A 29 -8.527 1.953 7.025 1.00 0.00 C ATOM 443 C VAL A 29 -7.097 1.958 7.606 1.00 0.00 C ATOM 444 O VAL A 29 -6.790 1.165 8.494 1.00 0.00 O ATOM 445 CB VAL A 29 -9.439 3.008 7.756 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.950 4.451 7.539 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.919 2.854 7.316 1.00 0.00 C ATOM 0 H VAL A 29 -9.667 0.508 8.020 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.464 2.220 5.970 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.371 2.806 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.611 5.142 8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.937 4.554 7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.955 4.681 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.531 3.593 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.997 3.008 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.270 1.853 7.565 1.00 0.00 H new ATOM 457 N LEU A 30 -6.211 2.816 7.068 1.00 0.00 N ATOM 458 CA LEU A 30 -4.845 3.005 7.618 1.00 0.00 C ATOM 459 C LEU A 30 -4.739 4.382 8.292 1.00 0.00 C ATOM 460 O LEU A 30 -4.577 4.462 9.516 1.00 0.00 O ATOM 461 CB LEU A 30 -3.776 2.846 6.512 1.00 0.00 C ATOM 462 CG LEU A 30 -3.848 1.524 5.681 1.00 0.00 C ATOM 463 CD1 LEU A 30 -2.727 1.484 4.628 1.00 0.00 C ATOM 464 CD2 LEU A 30 -3.811 0.264 6.591 1.00 0.00 C ATOM 0 H LEU A 30 -6.412 3.393 6.251 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.660 2.235 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.862 3.689 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.791 2.909 6.974 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.806 1.513 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.794 0.556 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.833 2.332 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.759 1.535 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.863 -0.633 5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.884 0.256 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.660 0.284 7.274 1.00 0.00 H new ATOM 476 N LEU A 31 -4.824 5.455 7.468 1.00 0.00 N ATOM 477 CA LEU A 31 -4.872 6.854 7.941 1.00 0.00 C ATOM 478 C LEU A 31 -6.015 7.062 8.962 1.00 0.00 C ATOM 479 O LEU A 31 -7.178 6.810 8.662 1.00 0.00 O ATOM 480 CB LEU A 31 -5.063 7.820 6.741 1.00 0.00 C ATOM 481 CG LEU A 31 -3.845 8.057 5.803 1.00 0.00 C ATOM 482 CD1 LEU A 31 -4.251 8.950 4.620 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.648 8.674 6.557 1.00 0.00 C ATOM 0 H LEU A 31 -4.861 5.370 6.452 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.925 7.071 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.885 7.442 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.376 8.787 7.135 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.526 7.085 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.390 9.108 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.047 8.465 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.605 9.911 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.819 8.823 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.942 9.633 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.336 8.002 7.357 1.00 0.00 H new ATOM 495 N GLY A 32 -5.652 7.506 10.166 1.00 0.00 N ATOM 496 CA GLY A 32 -6.599 7.742 11.256 1.00 0.00 C ATOM 497 C GLY A 32 -6.886 6.505 12.101 1.00 0.00 C ATOM 498 O GLY A 32 -7.224 6.639 13.281 1.00 0.00 O ATOM 0 H GLY A 32 -4.685 7.714 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.207 8.528 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.536 8.110 10.838 1.00 0.00 H new ATOM 502 N ASN A 33 -6.780 5.296 11.497 1.00 0.00 N ATOM 503 CA ASN A 33 -7.052 4.023 12.194 1.00 0.00 C ATOM 504 C ASN A 33 -5.866 3.650 13.085 1.00 0.00 C ATOM 505 O ASN A 33 -5.974 3.659 14.316 1.00 0.00 O ATOM 506 CB ASN A 33 -7.341 2.879 11.181 1.00 0.00 C ATOM 507 CG ASN A 33 -7.639 1.519 11.842 1.00 0.00 C ATOM 508 OD1 ASN A 33 -8.237 1.449 12.912 1.00 0.00 O ATOM 509 ND2 ASN A 33 -7.221 0.428 11.221 1.00 0.00 N ATOM 0 H ASN A 33 -6.506 5.180 10.521 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.939 4.157 12.814 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.190 3.163 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.483 2.769 10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.394 -0.490 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.726 0.505 10.333 1.00 0.00 H new ATOM 516 N ILE A 34 -4.725 3.355 12.439 1.00 0.00 N ATOM 517 CA ILE A 34 -3.523 2.875 13.128 1.00 0.00 C ATOM 518 C ILE A 34 -2.822 4.067 13.816 1.00 0.00 C ATOM 519 O ILE A 34 -2.391 4.995 13.126 1.00 0.00 O ATOM 520 CB ILE A 34 -2.517 2.187 12.130 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.236 1.130 11.219 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.324 1.554 12.885 1.00 0.00 C ATOM 523 CD1 ILE A 34 -3.910 -0.024 11.962 1.00 0.00 C ATOM 0 H ILE A 34 -4.614 3.443 11.429 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.829 2.133 13.865 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.124 2.966 11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.988 1.643 10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.505 0.716 10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.647 1.087 12.170 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.791 2.328 13.437 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.692 0.800 13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.377 -0.697 11.242 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.164 -0.570 12.539 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.671 0.372 12.635 1.00 0.00 H new ATOM 535 N PRO A 35 -2.666 4.054 15.175 1.00 0.00 N ATOM 536 CA PRO A 35 -2.080 5.199 15.918 1.00 0.00 C ATOM 537 C PRO A 35 -0.570 5.354 15.639 1.00 0.00 C ATOM 538 O PRO A 35 0.017 6.408 15.905 1.00 0.00 O ATOM 539 CB PRO A 35 -2.369 4.834 17.397 1.00 0.00 C ATOM 540 CG PRO A 35 -2.391 3.333 17.410 1.00 0.00 C ATOM 541 CD PRO A 35 -3.002 2.922 16.087 1.00 0.00 C ATOM 0 HA PRO A 35 -2.502 6.161 15.628 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.599 5.226 18.061 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.320 5.249 17.731 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.385 2.927 17.520 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.979 2.957 18.247 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.584 1.981 15.728 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.080 2.781 16.170 1.00 0.00 H new ATOM 549 N GLU A 36 0.031 4.292 15.068 1.00 0.00 N ATOM 550 CA GLU A 36 1.469 4.223 14.774 1.00 0.00 C ATOM 551 C GLU A 36 1.753 4.808 13.385 1.00 0.00 C ATOM 552 O GLU A 36 2.848 5.315 13.126 1.00 0.00 O ATOM 553 CB GLU A 36 1.931 2.747 14.840 1.00 0.00 C ATOM 554 CG GLU A 36 1.500 1.994 16.118 1.00 0.00 C ATOM 555 CD GLU A 36 1.977 2.655 17.422 1.00 0.00 C ATOM 556 OE1 GLU A 36 3.188 2.597 17.723 1.00 0.00 O ATOM 557 OE2 GLU A 36 1.142 3.220 18.167 1.00 0.00 O ATOM 0 H GLU A 36 -0.477 3.450 14.796 1.00 0.00 H new ATOM 0 HA GLU A 36 2.020 4.807 15.511 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.537 2.218 13.972 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.018 2.717 14.766 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.413 1.921 16.136 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.887 0.976 16.076 1.00 0.00 H new ATOM 564 N LEU A 37 0.751 4.691 12.497 1.00 0.00 N ATOM 565 CA LEU A 37 0.810 5.234 11.138 1.00 0.00 C ATOM 566 C LEU A 37 0.656 6.765 11.231 1.00 0.00 C ATOM 567 O LEU A 37 -0.441 7.269 11.465 1.00 0.00 O ATOM 568 CB LEU A 37 -0.301 4.549 10.261 1.00 0.00 C ATOM 569 CG LEU A 37 -0.245 4.711 8.690 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.644 6.128 8.215 1.00 0.00 C ATOM 571 CD2 LEU A 37 1.141 4.303 8.131 1.00 0.00 C ATOM 0 H LEU A 37 -0.125 4.214 12.708 1.00 0.00 H new ATOM 0 HA LEU A 37 1.763 5.024 10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.284 3.482 10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.266 4.929 10.597 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.992 4.028 8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.586 6.177 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.663 6.345 8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.036 6.862 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.147 4.426 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.912 4.935 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.341 3.261 8.379 1.00 0.00 H new ATOM 583 N ASP A 38 1.784 7.475 11.143 1.00 0.00 N ATOM 584 CA ASP A 38 1.825 8.945 11.040 1.00 0.00 C ATOM 585 C ASP A 38 2.803 9.296 9.884 1.00 0.00 C ATOM 586 O ASP A 38 3.024 8.450 9.007 1.00 0.00 O ATOM 587 CB ASP A 38 2.226 9.542 12.430 1.00 0.00 C ATOM 588 CG ASP A 38 1.973 11.057 12.566 1.00 0.00 C ATOM 589 OD1 ASP A 38 0.813 11.493 12.464 1.00 0.00 O ATOM 590 OD2 ASP A 38 2.938 11.821 12.772 1.00 0.00 O ATOM 0 H ASP A 38 2.709 7.044 11.141 1.00 0.00 H new ATOM 0 HA ASP A 38 0.857 9.385 10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.671 9.021 13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.283 9.345 12.606 1.00 0.00 H new ATOM 595 N SER A 39 3.387 10.509 9.869 1.00 0.00 N ATOM 596 CA SER A 39 4.112 11.034 8.699 1.00 0.00 C ATOM 597 C SER A 39 5.428 10.262 8.384 1.00 0.00 C ATOM 598 O SER A 39 5.618 9.769 7.271 1.00 0.00 O ATOM 599 CB SER A 39 4.374 12.539 8.885 1.00 0.00 C ATOM 600 OG SER A 39 5.415 12.794 9.885 1.00 0.00 O ATOM 0 H SER A 39 3.369 11.149 10.663 1.00 0.00 H new ATOM 0 HA SER A 39 3.474 10.880 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.672 12.976 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.451 13.033 9.188 1.00 0.00 H new ATOM 0 HG SER A 39 5.554 13.760 9.974 1.00 0.00 H new ATOM 605 N MET A 40 6.340 10.129 9.355 1.00 0.00 N ATOM 606 CA MET A 40 7.596 9.356 9.130 1.00 0.00 C ATOM 607 C MET A 40 7.292 7.875 8.800 1.00 0.00 C ATOM 608 O MET A 40 8.048 7.211 8.073 1.00 0.00 O ATOM 609 CB MET A 40 8.545 9.463 10.337 1.00 0.00 C ATOM 610 CG MET A 40 9.088 10.876 10.591 1.00 0.00 C ATOM 611 SD MET A 40 9.993 11.554 9.179 1.00 0.00 S ATOM 612 CE MET A 40 11.392 10.429 9.038 1.00 0.00 C ATOM 0 H MET A 40 6.248 10.531 10.288 1.00 0.00 H new ATOM 0 HA MET A 40 8.099 9.797 8.269 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.019 9.123 11.229 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.385 8.786 10.185 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.258 11.539 10.835 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.746 10.855 11.460 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.122 10.842 8.342 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.855 10.300 10.016 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.046 9.463 8.670 1.00 0.00 H new ATOM 622 N ALA A 41 6.147 7.405 9.310 1.00 0.00 N ATOM 623 CA ALA A 41 5.631 6.068 9.043 1.00 0.00 C ATOM 624 C ALA A 41 5.190 5.909 7.583 1.00 0.00 C ATOM 625 O ALA A 41 5.337 4.820 7.041 1.00 0.00 O ATOM 626 CB ALA A 41 4.483 5.735 9.991 1.00 0.00 C ATOM 0 H ALA A 41 5.549 7.954 9.927 1.00 0.00 H new ATOM 0 HA ALA A 41 6.444 5.363 9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.112 4.733 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.838 5.777 11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.678 6.457 9.855 1.00 0.00 H new ATOM 632 N VAL A 42 4.653 6.989 6.935 1.00 0.00 N ATOM 633 CA VAL A 42 4.302 6.926 5.493 1.00 0.00 C ATOM 634 C VAL A 42 5.582 6.728 4.656 1.00 0.00 C ATOM 635 O VAL A 42 5.584 5.956 3.688 1.00 0.00 O ATOM 636 CB VAL A 42 3.469 8.162 4.929 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.240 8.487 5.804 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.314 9.448 4.689 1.00 0.00 C ATOM 0 H VAL A 42 4.461 7.886 7.380 1.00 0.00 H new ATOM 0 HA VAL A 42 3.630 6.073 5.401 1.00 0.00 H new ATOM 0 HB VAL A 42 3.126 7.829 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.705 9.336 5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.578 7.621 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.567 8.733 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.671 10.240 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.763 9.769 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.100 9.237 3.964 1.00 0.00 H new ATOM 648 N VAL A 43 6.679 7.386 5.088 1.00 0.00 N ATOM 649 CA VAL A 43 7.977 7.292 4.371 1.00 0.00 C ATOM 650 C VAL A 43 8.507 5.846 4.430 1.00 0.00 C ATOM 651 O VAL A 43 8.899 5.256 3.409 1.00 0.00 O ATOM 652 CB VAL A 43 9.069 8.265 4.970 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.233 8.513 3.978 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.439 9.588 5.426 1.00 0.00 C ATOM 0 H VAL A 43 6.697 7.981 5.917 1.00 0.00 H new ATOM 0 HA VAL A 43 7.792 7.589 3.339 1.00 0.00 H new ATOM 0 HB VAL A 43 9.493 7.772 5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.960 9.187 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.716 7.565 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.843 8.961 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.213 10.238 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.965 10.078 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.691 9.389 6.193 1.00 0.00 H new ATOM 664 N ASN A 44 8.477 5.308 5.659 1.00 0.00 N ATOM 665 CA ASN A 44 8.963 3.961 5.981 1.00 0.00 C ATOM 666 C ASN A 44 8.214 2.863 5.212 1.00 0.00 C ATOM 667 O ASN A 44 8.844 1.948 4.672 1.00 0.00 O ATOM 668 CB ASN A 44 8.863 3.719 7.513 1.00 0.00 C ATOM 669 CG ASN A 44 9.894 4.507 8.323 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.010 4.739 7.872 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.528 4.928 9.517 1.00 0.00 N ATOM 0 H ASN A 44 8.108 5.806 6.469 1.00 0.00 H new ATOM 0 HA ASN A 44 10.005 3.906 5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.863 3.990 7.851 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.990 2.655 7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.180 5.462 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.593 4.720 9.867 1.00 0.00 H new ATOM 678 N VAL A 45 6.876 2.951 5.170 1.00 0.00 N ATOM 679 CA VAL A 45 6.046 1.915 4.532 1.00 0.00 C ATOM 680 C VAL A 45 6.190 1.938 3.006 1.00 0.00 C ATOM 681 O VAL A 45 6.098 0.886 2.384 1.00 0.00 O ATOM 682 CB VAL A 45 4.535 2.001 4.946 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.366 1.760 6.461 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.905 3.341 4.520 1.00 0.00 C ATOM 0 H VAL A 45 6.346 3.726 5.569 1.00 0.00 H new ATOM 0 HA VAL A 45 6.423 0.961 4.900 1.00 0.00 H new ATOM 0 HB VAL A 45 4.002 1.211 4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.310 1.825 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.744 0.770 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.925 2.515 7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.858 3.364 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.439 4.162 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.971 3.446 3.437 1.00 0.00 H new ATOM 694 N ILE A 46 6.422 3.131 2.403 1.00 0.00 N ATOM 695 CA ILE A 46 6.709 3.215 0.950 1.00 0.00 C ATOM 696 C ILE A 46 8.022 2.477 0.647 1.00 0.00 C ATOM 697 O ILE A 46 8.042 1.597 -0.217 1.00 0.00 O ATOM 698 CB ILE A 46 6.780 4.694 0.419 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.410 5.396 0.628 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.192 4.750 -1.080 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.380 6.861 0.242 1.00 0.00 C ATOM 0 H ILE A 46 6.417 4.029 2.888 1.00 0.00 H new ATOM 0 HA ILE A 46 5.878 2.741 0.427 1.00 0.00 H new ATOM 0 HB ILE A 46 7.547 5.218 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.654 4.867 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.128 5.305 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.230 5.789 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.174 4.294 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.461 4.206 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.384 7.265 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.108 7.410 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.627 6.964 -0.815 1.00 0.00 H new ATOM 713 N THR A 47 9.080 2.815 1.423 1.00 0.00 N ATOM 714 CA THR A 47 10.411 2.178 1.314 1.00 0.00 C ATOM 715 C THR A 47 10.291 0.639 1.357 1.00 0.00 C ATOM 716 O THR A 47 10.815 -0.060 0.489 1.00 0.00 O ATOM 717 CB THR A 47 11.352 2.658 2.472 1.00 0.00 C ATOM 718 OG1 THR A 47 11.450 4.085 2.455 1.00 0.00 O ATOM 719 CG2 THR A 47 12.771 2.053 2.385 1.00 0.00 C ATOM 0 H THR A 47 9.033 3.537 2.142 1.00 0.00 H new ATOM 0 HA THR A 47 10.840 2.474 0.357 1.00 0.00 H new ATOM 0 HB THR A 47 10.905 2.312 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.631 4.474 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.376 2.423 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.707 0.966 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.233 2.343 1.441 1.00 0.00 H new ATOM 727 N ALA A 48 9.534 0.156 2.356 1.00 0.00 N ATOM 728 CA ALA A 48 9.318 -1.277 2.608 1.00 0.00 C ATOM 729 C ALA A 48 8.580 -1.960 1.437 1.00 0.00 C ATOM 730 O ALA A 48 9.018 -3.012 0.967 1.00 0.00 O ATOM 731 CB ALA A 48 8.566 -1.445 3.935 1.00 0.00 C ATOM 0 H ALA A 48 9.048 0.759 3.020 1.00 0.00 H new ATOM 0 HA ALA A 48 10.285 -1.774 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.402 -2.505 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.156 -1.015 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.605 -0.934 3.876 1.00 0.00 H new ATOM 737 N LEU A 49 7.490 -1.323 0.955 1.00 0.00 N ATOM 738 CA LEU A 49 6.701 -1.808 -0.213 1.00 0.00 C ATOM 739 C LEU A 49 7.622 -1.997 -1.445 1.00 0.00 C ATOM 740 O LEU A 49 7.566 -3.025 -2.121 1.00 0.00 O ATOM 741 CB LEU A 49 5.517 -0.815 -0.538 1.00 0.00 C ATOM 742 CG LEU A 49 4.091 -1.171 0.027 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.506 -2.418 -0.665 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.091 -1.346 1.559 1.00 0.00 C ATOM 0 H LEU A 49 7.128 -0.459 1.360 1.00 0.00 H new ATOM 0 HA LEU A 49 6.267 -2.775 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.792 0.170 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.437 -0.730 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 49 3.448 -0.320 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.521 -2.636 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.417 -2.232 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.166 -3.270 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.084 -1.590 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.772 -2.152 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.417 -0.419 2.031 1.00 0.00 H new ATOM 756 N GLU A 50 8.488 -0.995 -1.681 1.00 0.00 N ATOM 757 CA GLU A 50 9.453 -0.989 -2.798 1.00 0.00 C ATOM 758 C GLU A 50 10.484 -2.131 -2.679 1.00 0.00 C ATOM 759 O GLU A 50 10.815 -2.772 -3.682 1.00 0.00 O ATOM 760 CB GLU A 50 10.146 0.398 -2.884 1.00 0.00 C ATOM 761 CG GLU A 50 9.159 1.554 -3.168 1.00 0.00 C ATOM 762 CD GLU A 50 9.813 2.946 -3.208 1.00 0.00 C ATOM 763 OE1 GLU A 50 10.153 3.482 -2.139 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.975 3.519 -4.308 1.00 0.00 O ATOM 0 H GLU A 50 8.539 -0.160 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 50 8.905 -1.166 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.667 0.595 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.901 0.372 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.665 1.369 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.383 1.551 -2.402 1.00 0.00 H new ATOM 771 N GLU A 51 10.953 -2.390 -1.444 1.00 0.00 N ATOM 772 CA GLU A 51 11.959 -3.436 -1.157 1.00 0.00 C ATOM 773 C GLU A 51 11.419 -4.858 -1.441 1.00 0.00 C ATOM 774 O GLU A 51 12.057 -5.633 -2.169 1.00 0.00 O ATOM 775 CB GLU A 51 12.443 -3.318 0.314 1.00 0.00 C ATOM 776 CG GLU A 51 13.262 -2.045 0.625 1.00 0.00 C ATOM 777 CD GLU A 51 14.628 -2.005 -0.079 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.604 -2.565 0.466 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.741 -1.415 -1.173 1.00 0.00 O ATOM 0 H GLU A 51 10.646 -1.881 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 51 12.803 -3.276 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.574 -3.344 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.050 -4.191 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.684 -1.170 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.415 -1.976 1.702 1.00 0.00 H new ATOM 786 N TYR A 52 10.246 -5.193 -0.862 1.00 0.00 N ATOM 787 CA TYR A 52 9.653 -6.551 -0.985 1.00 0.00 C ATOM 788 C TYR A 52 9.114 -6.816 -2.402 1.00 0.00 C ATOM 789 O TYR A 52 9.424 -7.852 -3.001 1.00 0.00 O ATOM 790 CB TYR A 52 8.533 -6.775 0.061 1.00 0.00 C ATOM 791 CG TYR A 52 9.032 -6.813 1.517 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.617 -7.964 2.056 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.913 -5.705 2.353 1.00 0.00 C ATOM 794 CE1 TYR A 52 10.056 -7.997 3.366 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.350 -5.735 3.655 1.00 0.00 C ATOM 796 CZ TYR A 52 9.921 -6.879 4.160 1.00 0.00 C ATOM 797 OH TYR A 52 10.354 -6.911 5.469 1.00 0.00 O ATOM 0 H TYR A 52 9.688 -4.546 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 52 10.457 -7.262 -0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.794 -5.980 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.024 -7.713 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.727 -8.842 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.466 -4.800 1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.503 -8.895 3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.245 -4.861 4.281 1.00 0.00 H new ATOM 0 HH TYR A 52 10.187 -6.042 5.890 1.00 0.00 H new ATOM 807 N PHE A 53 8.313 -5.872 -2.932 1.00 0.00 N ATOM 808 CA PHE A 53 7.680 -6.011 -4.265 1.00 0.00 C ATOM 809 C PHE A 53 8.694 -5.781 -5.407 1.00 0.00 C ATOM 810 O PHE A 53 8.407 -6.135 -6.557 1.00 0.00 O ATOM 811 CB PHE A 53 6.484 -5.035 -4.411 1.00 0.00 C ATOM 812 CG PHE A 53 5.224 -5.399 -3.609 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.254 -5.523 -2.220 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.007 -5.615 -4.252 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.106 -5.840 -1.513 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.868 -5.927 -3.545 1.00 0.00 C ATOM 817 CZ PHE A 53 2.916 -6.046 -2.176 1.00 0.00 C ATOM 0 H PHE A 53 8.086 -4.999 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 53 7.313 -7.035 -4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.811 -4.041 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.216 -4.974 -5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.183 -5.370 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.956 -5.536 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.144 -5.926 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.935 -6.079 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.024 -6.300 -1.622 1.00 0.00 H new ATOM 827 N ASP A 54 9.852 -5.163 -5.068 1.00 0.00 N ATOM 828 CA ASP A 54 10.978 -4.940 -5.997 1.00 0.00 C ATOM 829 C ASP A 54 10.552 -3.988 -7.135 1.00 0.00 C ATOM 830 O ASP A 54 10.791 -4.228 -8.326 1.00 0.00 O ATOM 831 CB ASP A 54 11.565 -6.298 -6.514 1.00 0.00 C ATOM 832 CG ASP A 54 12.879 -6.153 -7.307 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.826 -5.519 -6.794 1.00 0.00 O ATOM 834 OD2 ASP A 54 12.981 -6.680 -8.437 1.00 0.00 O ATOM 0 H ASP A 54 10.028 -4.803 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 54 11.791 -4.449 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.738 -6.955 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.823 -6.785 -7.147 1.00 0.00 H new ATOM 839 N PHE A 55 9.897 -2.892 -6.736 1.00 0.00 N ATOM 840 CA PHE A 55 9.479 -1.814 -7.657 1.00 0.00 C ATOM 841 C PHE A 55 9.831 -0.439 -7.070 1.00 0.00 C ATOM 842 O PHE A 55 10.548 -0.345 -6.070 1.00 0.00 O ATOM 843 CB PHE A 55 7.947 -1.936 -8.000 1.00 0.00 C ATOM 844 CG PHE A 55 6.902 -1.870 -6.855 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.136 -1.242 -5.630 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.646 -2.435 -7.042 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.169 -1.180 -4.657 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.677 -2.373 -6.062 1.00 0.00 C ATOM 849 CZ PHE A 55 4.941 -1.747 -4.867 1.00 0.00 C ATOM 0 H PHE A 55 9.638 -2.721 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 55 10.027 -1.919 -8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.706 -1.143 -8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.803 -2.883 -8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.101 -0.794 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.424 -2.933 -7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.378 -0.682 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.708 -2.818 -6.234 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.184 -1.703 -4.098 1.00 0.00 H new ATOM 859 N SER A 56 9.338 0.617 -7.712 1.00 0.00 N ATOM 860 CA SER A 56 9.338 1.962 -7.148 1.00 0.00 C ATOM 861 C SER A 56 7.911 2.512 -7.186 1.00 0.00 C ATOM 862 O SER A 56 7.339 2.646 -8.275 1.00 0.00 O ATOM 863 CB SER A 56 10.294 2.878 -7.938 1.00 0.00 C ATOM 864 OG SER A 56 10.387 4.163 -7.343 1.00 0.00 O ATOM 0 H SER A 56 8.925 0.562 -8.643 1.00 0.00 H new ATOM 0 HA SER A 56 9.687 1.927 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.283 2.423 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.942 2.975 -8.965 1.00 0.00 H new ATOM 0 HG SER A 56 10.269 4.084 -6.373 1.00 0.00 H new ATOM 870 N VAL A 57 7.325 2.794 -5.999 1.00 0.00 N ATOM 871 CA VAL A 57 6.025 3.478 -5.908 1.00 0.00 C ATOM 872 C VAL A 57 6.248 4.930 -6.377 1.00 0.00 C ATOM 873 O VAL A 57 6.922 5.707 -5.689 1.00 0.00 O ATOM 874 CB VAL A 57 5.421 3.453 -4.443 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.984 4.028 -4.418 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.443 2.036 -3.836 1.00 0.00 C ATOM 0 H VAL A 57 7.735 2.557 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 57 5.299 2.960 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 57 6.058 4.089 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.597 3.997 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.999 5.060 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.343 3.433 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.020 2.064 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.853 1.364 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.471 1.677 -3.787 1.00 0.00 H new ATOM 886 N ASP A 58 5.727 5.252 -7.565 1.00 0.00 N ATOM 887 CA ASP A 58 6.037 6.515 -8.279 1.00 0.00 C ATOM 888 C ASP A 58 5.356 7.724 -7.601 1.00 0.00 C ATOM 889 O ASP A 58 4.249 7.602 -7.112 1.00 0.00 O ATOM 890 CB ASP A 58 5.612 6.381 -9.761 1.00 0.00 C ATOM 891 CG ASP A 58 5.913 7.632 -10.606 1.00 0.00 C ATOM 892 OD1 ASP A 58 7.067 7.816 -11.016 1.00 0.00 O ATOM 893 OD2 ASP A 58 5.000 8.444 -10.842 1.00 0.00 O ATOM 0 H ASP A 58 5.076 4.649 -8.068 1.00 0.00 H new ATOM 0 HA ASP A 58 7.111 6.695 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.123 5.525 -10.201 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.543 6.171 -9.806 1.00 0.00 H new ATOM 898 N ASP A 59 6.037 8.887 -7.596 1.00 0.00 N ATOM 899 CA ASP A 59 5.563 10.124 -6.914 1.00 0.00 C ATOM 900 C ASP A 59 4.137 10.530 -7.344 1.00 0.00 C ATOM 901 O ASP A 59 3.322 10.938 -6.510 1.00 0.00 O ATOM 902 CB ASP A 59 6.543 11.296 -7.183 1.00 0.00 C ATOM 903 CG ASP A 59 6.109 12.626 -6.522 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.335 12.802 -5.309 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.529 13.501 -7.207 1.00 0.00 O ATOM 0 H ASP A 59 6.936 9.003 -8.065 1.00 0.00 H new ATOM 0 HA ASP A 59 5.532 9.903 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.533 11.023 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.631 11.446 -8.259 1.00 0.00 H new ATOM 910 N ASP A 60 3.842 10.360 -8.639 1.00 0.00 N ATOM 911 CA ASP A 60 2.591 10.841 -9.252 1.00 0.00 C ATOM 912 C ASP A 60 1.366 10.008 -8.800 1.00 0.00 C ATOM 913 O ASP A 60 0.236 10.493 -8.858 1.00 0.00 O ATOM 914 CB ASP A 60 2.738 10.835 -10.796 1.00 0.00 C ATOM 915 CG ASP A 60 1.592 11.539 -11.542 1.00 0.00 C ATOM 916 OD1 ASP A 60 1.391 12.748 -11.314 1.00 0.00 O ATOM 917 OD2 ASP A 60 0.902 10.897 -12.363 1.00 0.00 O ATOM 0 H ASP A 60 4.463 9.885 -9.294 1.00 0.00 H new ATOM 0 HA ASP A 60 2.412 11.862 -8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.679 11.316 -11.062 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.800 9.802 -11.140 1.00 0.00 H new ATOM 922 N GLU A 61 1.599 8.767 -8.319 1.00 0.00 N ATOM 923 CA GLU A 61 0.513 7.897 -7.800 1.00 0.00 C ATOM 924 C GLU A 61 0.394 8.049 -6.278 1.00 0.00 C ATOM 925 O GLU A 61 -0.615 7.656 -5.687 1.00 0.00 O ATOM 926 CB GLU A 61 0.747 6.405 -8.172 1.00 0.00 C ATOM 927 CG GLU A 61 1.867 5.709 -7.376 1.00 0.00 C ATOM 928 CD GLU A 61 2.240 4.323 -7.903 1.00 0.00 C ATOM 929 OE1 GLU A 61 2.968 4.256 -8.918 1.00 0.00 O ATOM 930 OE2 GLU A 61 1.827 3.305 -7.312 1.00 0.00 O ATOM 0 H GLU A 61 2.526 8.343 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.419 8.215 -8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.183 5.857 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.983 6.343 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.754 6.342 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.556 5.618 -6.335 1.00 0.00 H new ATOM 937 N ILE A 62 1.448 8.601 -5.643 1.00 0.00 N ATOM 938 CA ILE A 62 1.497 8.797 -4.194 1.00 0.00 C ATOM 939 C ILE A 62 0.724 10.074 -3.806 1.00 0.00 C ATOM 940 O ILE A 62 1.135 11.193 -4.130 1.00 0.00 O ATOM 941 CB ILE A 62 2.979 8.891 -3.661 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.782 7.592 -3.978 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.007 9.180 -2.138 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.253 7.628 -3.583 1.00 0.00 C ATOM 0 H ILE A 62 2.286 8.921 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 62 1.030 7.928 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 62 3.457 9.722 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.305 6.755 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.714 7.393 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.041 9.240 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.504 10.126 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.496 8.378 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.723 6.680 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.752 8.439 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.337 7.791 -2.509 1.00 0.00 H new ATOM 956 N SER A 63 -0.423 9.867 -3.164 1.00 0.00 N ATOM 957 CA SER A 63 -1.149 10.897 -2.415 1.00 0.00 C ATOM 958 C SER A 63 -1.474 10.320 -1.038 1.00 0.00 C ATOM 959 O SER A 63 -1.252 9.124 -0.798 1.00 0.00 O ATOM 960 CB SER A 63 -2.440 11.296 -3.165 1.00 0.00 C ATOM 961 OG SER A 63 -3.157 12.294 -2.459 1.00 0.00 O ATOM 0 H SER A 63 -0.887 8.959 -3.148 1.00 0.00 H new ATOM 0 HA SER A 63 -0.544 11.797 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.187 11.662 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.071 10.418 -3.299 1.00 0.00 H new ATOM 0 HG SER A 63 -3.968 12.528 -2.957 1.00 0.00 H new ATOM 967 N ALA A 64 -1.964 11.153 -0.111 1.00 0.00 N ATOM 968 CA ALA A 64 -2.447 10.670 1.195 1.00 0.00 C ATOM 969 C ALA A 64 -3.649 9.728 0.983 1.00 0.00 C ATOM 970 O ALA A 64 -3.787 8.717 1.666 1.00 0.00 O ATOM 971 CB ALA A 64 -2.805 11.837 2.124 1.00 0.00 C ATOM 0 H ALA A 64 -2.038 12.162 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.647 10.113 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.158 11.447 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.922 12.455 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.590 12.439 1.666 1.00 0.00 H new ATOM 977 N GLN A 65 -4.455 10.032 -0.055 1.00 0.00 N ATOM 978 CA GLN A 65 -5.626 9.222 -0.441 1.00 0.00 C ATOM 979 C GLN A 65 -5.227 7.798 -0.906 1.00 0.00 C ATOM 980 O GLN A 65 -6.063 6.905 -0.921 1.00 0.00 O ATOM 981 CB GLN A 65 -6.440 9.944 -1.545 1.00 0.00 C ATOM 982 CG GLN A 65 -6.910 11.369 -1.186 1.00 0.00 C ATOM 983 CD GLN A 65 -7.662 11.449 0.148 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.880 11.295 0.203 1.00 0.00 O ATOM 985 NE2 GLN A 65 -6.939 11.706 1.230 1.00 0.00 N ATOM 0 H GLN A 65 -4.311 10.848 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.248 9.108 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.832 9.996 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.315 9.339 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.043 12.029 -1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.557 11.741 -1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.929 11.829 1.151 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.393 11.781 2.141 1.00 0.00 H new ATOM 994 N THR A 66 -3.948 7.604 -1.276 1.00 0.00 N ATOM 995 CA THR A 66 -3.393 6.275 -1.612 1.00 0.00 C ATOM 996 C THR A 66 -3.415 5.361 -0.368 1.00 0.00 C ATOM 997 O THR A 66 -3.730 4.176 -0.459 1.00 0.00 O ATOM 998 CB THR A 66 -1.932 6.423 -2.164 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.955 7.245 -3.337 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.246 5.081 -2.490 1.00 0.00 C ATOM 0 H THR A 66 -3.269 8.361 -1.351 1.00 0.00 H new ATOM 0 HA THR A 66 -4.009 5.819 -2.387 1.00 0.00 H new ATOM 0 HB THR A 66 -1.343 6.881 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.216 6.992 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.240 5.268 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.188 4.473 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.824 4.552 -3.248 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.110 5.963 0.798 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.011 5.263 2.098 1.00 0.00 C ATOM 1010 C PHE A 67 -4.307 5.356 2.920 1.00 0.00 C ATOM 1011 O PHE A 67 -4.280 5.124 4.143 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.807 5.833 2.897 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.460 5.543 2.230 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.003 6.329 1.170 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.320 4.455 2.628 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.202 6.043 0.547 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.516 4.172 1.994 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.953 4.962 0.955 1.00 0.00 C ATOM 0 H PHE A 67 -2.922 6.963 0.867 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.852 4.203 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.928 6.911 3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.809 5.408 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.585 7.171 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.015 3.827 3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.552 6.668 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.109 3.328 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.885 4.735 0.459 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.440 5.666 2.253 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.748 5.742 2.932 1.00 0.00 C ATOM 1030 C GLU A 68 -7.135 4.362 3.516 1.00 0.00 C ATOM 1031 O GLU A 68 -7.490 4.263 4.691 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.873 6.288 1.994 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.209 5.399 0.785 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.389 5.897 -0.059 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.226 6.897 -0.777 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.481 5.290 -0.007 1.00 0.00 O ATOM 0 H GLU A 68 -5.474 5.866 1.253 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.648 6.454 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.779 6.428 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.574 7.271 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.328 5.325 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.431 4.393 1.140 1.00 0.00 H new ATOM 1043 N THR A 69 -7.027 3.301 2.687 1.00 0.00 N ATOM 1044 CA THR A 69 -7.367 1.919 3.074 1.00 0.00 C ATOM 1045 C THR A 69 -6.373 0.928 2.449 1.00 0.00 C ATOM 1046 O THR A 69 -5.669 1.263 1.483 1.00 0.00 O ATOM 1047 CB THR A 69 -8.828 1.528 2.630 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.994 1.730 1.213 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.919 2.315 3.392 1.00 0.00 C ATOM 0 H THR A 69 -6.699 3.383 1.725 1.00 0.00 H new ATOM 0 HA THR A 69 -7.310 1.869 4.161 1.00 0.00 H new ATOM 0 HB THR A 69 -8.953 0.473 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.905 1.482 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.903 2.003 3.043 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.832 2.116 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.792 3.382 3.211 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.349 -0.301 3.008 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.513 -1.414 2.519 1.00 0.00 C ATOM 1059 C LEU A 70 -5.791 -1.715 1.035 1.00 0.00 C ATOM 1060 O LEU A 70 -4.867 -1.983 0.256 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.787 -2.695 3.355 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.972 -3.960 2.928 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.468 -3.736 3.155 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.473 -5.235 3.642 1.00 0.00 C ATOM 0 H LEU A 70 -6.916 -0.549 3.819 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.470 -1.114 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.570 -2.479 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.850 -2.930 3.292 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.133 -4.116 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.918 -4.627 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.134 -2.884 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.285 -3.538 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.881 -6.090 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.372 -5.112 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.521 -5.404 3.393 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.089 -1.655 0.687 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.573 -1.951 -0.651 1.00 0.00 C ATOM 1078 C GLY A 71 -7.040 -0.975 -1.676 1.00 0.00 C ATOM 1079 O GLY A 71 -6.735 -1.367 -2.795 1.00 0.00 O ATOM 0 H GLY A 71 -7.828 -1.396 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.278 -2.963 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.663 -1.923 -0.657 1.00 0.00 H new ATOM 1083 N SER A 72 -6.889 0.298 -1.266 1.00 0.00 N ATOM 1084 CA SER A 72 -6.335 1.350 -2.121 1.00 0.00 C ATOM 1085 C SER A 72 -4.887 1.018 -2.512 1.00 0.00 C ATOM 1086 O SER A 72 -4.579 0.976 -3.707 1.00 0.00 O ATOM 1087 CB SER A 72 -6.437 2.704 -1.409 1.00 0.00 C ATOM 1088 OG SER A 72 -7.778 2.966 -1.037 1.00 0.00 O ATOM 0 H SER A 72 -7.149 0.620 -0.334 1.00 0.00 H new ATOM 0 HA SER A 72 -6.913 1.410 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.800 2.706 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.074 3.495 -2.065 1.00 0.00 H new ATOM 0 HG SER A 72 -8.005 2.442 -0.240 1.00 0.00 H new ATOM 1094 N LEU A 73 -4.030 0.694 -1.500 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.628 0.281 -1.751 1.00 0.00 C ATOM 1096 C LEU A 73 -2.602 -0.929 -2.675 1.00 0.00 C ATOM 1097 O LEU A 73 -1.797 -0.979 -3.596 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.857 -0.085 -0.447 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.392 1.082 0.471 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.539 2.109 -0.303 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.578 1.743 1.176 1.00 0.00 C ATOM 0 H LEU A 73 -4.289 0.712 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.133 1.138 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.493 -0.744 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.976 -0.661 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.753 0.656 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.233 2.909 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.345 1.617 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.126 2.528 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.219 2.554 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.267 2.142 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.094 1.005 1.790 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.521 -1.881 -2.405 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.647 -3.115 -3.171 1.00 0.00 C ATOM 1115 C ALA A 74 -3.897 -2.818 -4.650 1.00 0.00 C ATOM 1116 O ALA A 74 -3.254 -3.416 -5.482 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.738 -4.013 -2.600 1.00 0.00 C ATOM 0 H ALA A 74 -4.195 -1.803 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.702 -3.653 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.807 -4.925 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.496 -4.269 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.693 -3.489 -2.629 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.785 -1.840 -4.943 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.109 -1.422 -6.330 1.00 0.00 C ATOM 1125 C LEU A 75 -3.862 -0.871 -7.039 1.00 0.00 C ATOM 1126 O LEU A 75 -3.529 -1.318 -8.146 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.267 -0.368 -6.370 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.704 -0.924 -6.621 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.765 -1.741 -7.932 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.213 -1.736 -5.425 1.00 0.00 C ATOM 0 H LEU A 75 -5.296 -1.320 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.453 -2.310 -6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.270 0.172 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.041 0.359 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.372 -0.070 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.778 -2.116 -8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.487 -1.103 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.073 -2.581 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.216 -2.106 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.545 -2.579 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.240 -1.101 -4.539 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.177 0.088 -6.383 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.956 0.709 -6.939 1.00 0.00 C ATOM 1144 C PHE A 76 -0.906 -0.363 -7.278 1.00 0.00 C ATOM 1145 O PHE A 76 -0.417 -0.413 -8.413 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.371 1.782 -5.973 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.174 3.092 -5.948 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.913 4.110 -6.864 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.194 3.298 -5.024 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -2.637 5.286 -6.846 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -3.919 4.475 -5.006 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.642 5.468 -5.918 1.00 0.00 C ATOM 0 H PHE A 76 -3.448 0.449 -5.468 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.232 1.218 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.334 1.369 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.344 2.001 -6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.133 3.977 -7.599 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.424 2.524 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.416 6.065 -7.560 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.703 4.615 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.209 6.387 -5.907 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.637 -1.261 -6.314 1.00 0.00 N ATOM 1163 CA VAL A 77 0.374 -2.323 -6.461 1.00 0.00 C ATOM 1164 C VAL A 77 -0.094 -3.442 -7.430 1.00 0.00 C ATOM 1165 O VAL A 77 0.752 -4.132 -8.006 1.00 0.00 O ATOM 1166 CB VAL A 77 0.853 -2.905 -5.081 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.414 -1.788 -4.167 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.262 -3.673 -4.372 1.00 0.00 C ATOM 0 H VAL A 77 -1.114 -1.271 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 77 1.246 -1.850 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 77 1.657 -3.610 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.737 -2.221 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.263 -1.310 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.637 -1.046 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.109 -4.059 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.104 -3.005 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.588 -4.503 -4.999 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.437 -3.632 -7.607 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.977 -4.518 -8.678 1.00 0.00 C ATOM 1180 C GLU A 78 -1.435 -4.013 -10.019 1.00 0.00 C ATOM 1181 O GLU A 78 -0.780 -4.754 -10.750 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.549 -4.548 -8.779 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.335 -5.224 -7.634 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.881 -6.652 -7.292 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.900 -7.534 -8.181 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.525 -6.909 -6.124 1.00 0.00 O ATOM 0 H GLU A 78 -2.152 -3.190 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.661 -5.531 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.898 -3.519 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.815 -5.051 -9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.248 -4.607 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.391 -5.249 -7.903 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.662 -2.702 -10.267 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.285 -2.032 -11.527 1.00 0.00 C ATOM 1195 C HIS A 79 0.226 -2.138 -11.791 1.00 0.00 C ATOM 1196 O HIS A 79 0.635 -2.444 -12.915 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.722 -0.539 -11.502 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.213 -0.296 -11.639 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.741 0.667 -12.474 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.275 -0.858 -11.018 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -5.053 0.683 -12.356 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.404 -0.231 -11.480 1.00 0.00 N ATOM 0 H HIS A 79 -2.113 -2.081 -9.595 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.805 -2.540 -12.339 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.383 -0.094 -10.566 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.210 -0.014 -12.309 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.240 -1.656 -10.291 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.727 1.337 -12.890 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.360 -0.440 -11.191 1.00 0.00 H new ATOM 1211 N LYS A 80 1.029 -1.923 -10.724 1.00 0.00 N ATOM 1212 CA LYS A 80 2.510 -1.924 -10.792 1.00 0.00 C ATOM 1213 C LYS A 80 3.061 -3.212 -11.430 1.00 0.00 C ATOM 1214 O LYS A 80 3.727 -3.166 -12.469 1.00 0.00 O ATOM 1215 CB LYS A 80 3.120 -1.753 -9.374 1.00 0.00 C ATOM 1216 CG LYS A 80 2.698 -0.478 -8.619 1.00 0.00 C ATOM 1217 CD LYS A 80 3.135 0.816 -9.317 1.00 0.00 C ATOM 1218 CE LYS A 80 4.647 1.071 -9.200 1.00 0.00 C ATOM 1219 NZ LYS A 80 5.030 2.360 -9.820 1.00 0.00 N ATOM 0 H LYS A 80 0.667 -1.743 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 80 2.798 -1.083 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.844 -2.619 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.206 -1.759 -9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.614 -0.473 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.122 -0.502 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.859 0.767 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.594 1.658 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.937 1.071 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.192 0.259 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.943 2.674 -9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.114 2.239 -10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.302 3.074 -9.614 1.00 0.00 H new ATOM 1233 N LEU A 81 2.731 -4.353 -10.810 1.00 0.00 N ATOM 1234 CA LEU A 81 3.259 -5.673 -11.217 1.00 0.00 C ATOM 1235 C LEU A 81 2.522 -6.239 -12.451 1.00 0.00 C ATOM 1236 O LEU A 81 3.004 -7.194 -13.066 1.00 0.00 O ATOM 1237 CB LEU A 81 3.234 -6.689 -10.036 1.00 0.00 C ATOM 1238 CG LEU A 81 4.172 -6.383 -8.808 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.604 -5.997 -9.251 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.574 -5.318 -7.875 1.00 0.00 C ATOM 0 H LEU A 81 2.093 -4.393 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 81 4.299 -5.519 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.209 -6.758 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.499 -7.671 -10.428 1.00 0.00 H new ATOM 0 HG LEU A 81 4.246 -7.310 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.215 -5.795 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.044 -6.818 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.563 -5.106 -9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.255 -5.140 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.427 -4.391 -8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.616 -5.667 -7.491 1.00 0.00 H new ATOM 1252 N SER A 82 1.362 -5.650 -12.808 1.00 0.00 N ATOM 1253 CA SER A 82 0.619 -6.023 -14.029 1.00 0.00 C ATOM 1254 C SER A 82 1.225 -5.356 -15.287 1.00 0.00 C ATOM 1255 O SER A 82 0.844 -5.699 -16.412 1.00 0.00 O ATOM 1256 CB SER A 82 -0.868 -5.646 -13.883 1.00 0.00 C ATOM 1257 OG SER A 82 -1.467 -6.357 -12.821 1.00 0.00 O ATOM 0 H SER A 82 0.918 -4.910 -12.264 1.00 0.00 H new ATOM 0 HA SER A 82 0.701 -7.103 -14.155 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.960 -4.574 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.395 -5.861 -14.813 1.00 0.00 H new ATOM 0 HG SER A 82 -1.286 -5.896 -11.975 1.00 0.00 H new