USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 960 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 5 GLN : amide:sc=-0.00178 X(o=-1.7,f=-1.7) USER MOD Set 1.2: A 81 THR OG1 : rot -140:sc= -1.7! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : A 15 ASN : amide:sc= -2.16 X(o=-2.2,f=-2.4!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -19:sc= 1.7 USER MOD Single : A 31 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -142:sc= -0.15 (180deg=-1.03) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00634 USER MOD Single : A 48 GLN : amide:sc=-0.00276 X(o=-0.0028,f=-0.14) USER MOD Single : A 55 GLN : amide:sc=-0.00646 X(o=-0.0065,f=-0.11) USER MOD Single : A 61 THR OG1 : rot 54:sc= 0.0202 USER MOD Single : A 63 GLN : amide:sc= -2 K(o=-2,f=-2.5!) USER MOD Single : A 64 HIS : no HD1:sc= -19.8! C(o=-20!,f=-19!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-5.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 105 MET CE :methyl -135:sc= -4.14 (180deg=-8.75!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.8!) USER MOD Single : A 119 ASN : amide:sc= -4.15! C(o=-4.2!,f=-12!) USER MOD Single : A 125 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0238) USER MOD Single : A 127 LYS NZ :NH3+ 153:sc= 0.0776 (180deg=0.00192) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.755 -18.541 -0.794 1.00 0.00 N ATOM 43 CA LYS A 3 -5.608 -17.688 -0.494 1.00 0.00 C ATOM 44 C LYS A 3 -5.529 -16.520 -1.472 1.00 0.00 C ATOM 45 O LYS A 3 -5.665 -16.703 -2.682 1.00 0.00 O ATOM 46 CB LYS A 3 -4.314 -18.502 -0.538 1.00 0.00 C ATOM 47 CG LYS A 3 -4.060 -19.176 -1.877 1.00 0.00 C ATOM 48 CD LYS A 3 -2.576 -19.230 -2.201 1.00 0.00 C ATOM 49 CE LYS A 3 -1.819 -20.085 -1.198 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.361 -19.777 -1.193 1.00 0.00 N ATOM 0 HA LYS A 3 -5.737 -17.286 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.475 -17.846 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.348 -19.263 0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.467 -20.187 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.586 -18.635 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.436 -19.633 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.166 -18.220 -2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.228 -19.922 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.967 -21.139 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.119 -20.381 -0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.035 -19.957 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.218 -18.778 -0.942 1.00 0.00 H new ATOM 64 N LEU A 4 -5.297 -15.320 -0.946 1.00 0.00 N ATOM 65 CA LEU A 4 -5.185 -14.125 -1.775 1.00 0.00 C ATOM 66 C LEU A 4 -4.196 -13.139 -1.155 1.00 0.00 C ATOM 67 O LEU A 4 -4.306 -12.811 0.026 1.00 0.00 O ATOM 68 CB LEU A 4 -6.558 -13.467 -1.937 1.00 0.00 C ATOM 69 CG LEU A 4 -7.127 -12.828 -0.666 1.00 0.00 C ATOM 70 CD1 LEU A 4 -7.065 -11.311 -0.755 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.556 -13.292 -0.427 1.00 0.00 C ATOM 0 H LEU A 4 -5.183 -15.150 0.053 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.815 -14.415 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.488 -12.701 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.263 -14.217 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.517 -13.147 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.474 -10.876 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.029 -10.996 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.648 -10.973 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.943 -12.827 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.178 -13.006 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.573 -14.376 -0.315 1.00 0.00 H new ATOM 83 N GLN A 5 -3.220 -12.675 -1.937 1.00 0.00 N ATOM 84 CA GLN A 5 -2.216 -11.744 -1.435 1.00 0.00 C ATOM 85 C GLN A 5 -2.495 -10.312 -1.874 1.00 0.00 C ATOM 86 O GLN A 5 -3.158 -10.073 -2.880 1.00 0.00 O ATOM 87 CB GLN A 5 -0.842 -12.143 -1.959 1.00 0.00 C ATOM 88 CG GLN A 5 -0.499 -13.594 -1.699 1.00 0.00 C ATOM 89 CD GLN A 5 0.972 -13.897 -1.906 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.504 -13.731 -3.004 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.639 -14.344 -0.847 1.00 0.00 N ATOM 0 H GLN A 5 -3.106 -12.930 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.250 -11.788 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.801 -11.954 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.086 -11.510 -1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.778 -13.851 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.092 -14.227 -2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.158 -14.467 0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.632 -14.564 -0.925 1.00 0.00 H new ATOM 100 N ILE A 6 -1.966 -9.366 -1.113 1.00 0.00 N ATOM 101 CA ILE A 6 -2.110 -7.951 -1.394 1.00 0.00 C ATOM 102 C ILE A 6 -0.832 -7.248 -0.947 1.00 0.00 C ATOM 103 O ILE A 6 -0.300 -7.566 0.115 1.00 0.00 O ATOM 104 CB ILE A 6 -3.314 -7.349 -0.646 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.593 -8.103 -1.003 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.450 -5.873 -0.970 1.00 0.00 C ATOM 107 CD1 ILE A 6 -4.890 -9.256 -0.068 1.00 0.00 C ATOM 0 H ILE A 6 -1.419 -9.564 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.280 -7.815 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.147 -7.450 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.432 -7.408 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.510 -8.482 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.305 -5.460 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.544 -5.349 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.599 -5.748 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.812 -9.748 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.068 -9.971 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.004 -8.880 0.949 1.00 0.00 H new ATOM 119 N ALA A 7 -0.342 -6.280 -1.713 1.00 0.00 N ATOM 120 CA ALA A 7 0.856 -5.552 -1.308 1.00 0.00 C ATOM 121 C ALA A 7 0.571 -4.068 -1.337 1.00 0.00 C ATOM 122 O ALA A 7 0.155 -3.561 -2.364 1.00 0.00 O ATOM 123 CB ALA A 7 2.026 -5.891 -2.218 1.00 0.00 C ATOM 0 H ALA A 7 -0.746 -5.984 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 7 1.128 -5.846 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.908 -5.337 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.230 -6.960 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.779 -5.619 -3.244 1.00 0.00 H new ATOM 129 N VAL A 8 0.783 -3.364 -0.235 1.00 0.00 N ATOM 130 CA VAL A 8 0.512 -1.932 -0.213 1.00 0.00 C ATOM 131 C VAL A 8 1.731 -1.129 0.207 1.00 0.00 C ATOM 132 O VAL A 8 2.574 -1.600 0.965 1.00 0.00 O ATOM 133 CB VAL A 8 -0.683 -1.582 0.707 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.250 -2.827 1.376 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.288 -0.546 1.752 1.00 0.00 C ATOM 0 H VAL A 8 1.135 -3.750 0.641 1.00 0.00 H new ATOM 0 HA VAL A 8 0.253 -1.660 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.463 -1.152 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.087 -2.547 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.593 -3.526 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.476 -3.301 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.147 -0.320 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.521 -0.940 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.046 0.364 1.254 1.00 0.00 H new ATOM 145 N GLY A 9 1.818 0.087 -0.307 1.00 0.00 N ATOM 146 CA GLY A 9 2.937 0.938 0.016 1.00 0.00 C ATOM 147 C GLY A 9 2.561 2.398 0.151 1.00 0.00 C ATOM 148 O GLY A 9 1.788 2.931 -0.645 1.00 0.00 O ATOM 0 H GLY A 9 1.133 0.498 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.385 0.598 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.697 0.836 -0.758 1.00 0.00 H new ATOM 152 N ILE A 10 3.142 3.046 1.150 1.00 0.00 N ATOM 153 CA ILE A 10 2.912 4.466 1.394 1.00 0.00 C ATOM 154 C ILE A 10 4.049 5.245 0.739 1.00 0.00 C ATOM 155 O ILE A 10 5.205 5.033 1.084 1.00 0.00 O ATOM 156 CB ILE A 10 2.852 4.788 2.914 1.00 0.00 C ATOM 157 CG1 ILE A 10 2.863 3.508 3.761 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.613 5.614 3.239 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.254 3.014 4.092 1.00 0.00 C ATOM 0 H ILE A 10 3.783 2.607 1.812 1.00 0.00 H new ATOM 0 HA ILE A 10 1.949 4.751 0.969 1.00 0.00 H new ATOM 0 HB ILE A 10 3.742 5.367 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.321 3.691 4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.325 2.724 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.589 5.829 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.643 6.550 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.720 5.055 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.185 2.107 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.793 2.798 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.788 3.780 4.653 1.00 0.00 H new ATOM 171 N ILE A 11 3.736 6.119 -0.223 1.00 0.00 N ATOM 172 CA ILE A 11 4.783 6.868 -0.926 1.00 0.00 C ATOM 173 C ILE A 11 5.187 8.154 -0.208 1.00 0.00 C ATOM 174 O ILE A 11 4.421 9.110 -0.126 1.00 0.00 O ATOM 175 CB ILE A 11 4.381 7.226 -2.373 1.00 0.00 C ATOM 176 CG1 ILE A 11 3.387 6.211 -2.942 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.618 7.307 -3.255 1.00 0.00 C ATOM 178 CD1 ILE A 11 1.983 6.754 -3.031 1.00 0.00 C ATOM 0 H ILE A 11 2.785 6.323 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 11 5.637 6.190 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 11 3.891 8.199 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.716 5.904 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.387 5.319 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.323 7.560 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.289 8.075 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.129 6.344 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.323 5.990 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.638 7.035 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.972 7.630 -3.680 1.00 0.00 H new ATOM 190 N ARG A 12 6.409 8.135 0.309 1.00 0.00 N ATOM 191 CA ARG A 12 6.981 9.274 1.037 1.00 0.00 C ATOM 192 C ARG A 12 7.552 10.299 0.055 1.00 0.00 C ATOM 193 O ARG A 12 7.913 9.946 -1.066 1.00 0.00 O ATOM 194 CB ARG A 12 8.077 8.803 1.993 1.00 0.00 C ATOM 195 CG ARG A 12 7.582 8.551 3.407 1.00 0.00 C ATOM 196 CD ARG A 12 7.849 9.743 4.311 1.00 0.00 C ATOM 197 NE ARG A 12 8.003 9.346 5.708 1.00 0.00 N ATOM 198 CZ ARG A 12 9.117 8.819 6.210 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.176 8.624 5.434 1.00 0.00 N ATOM 200 NH2 ARG A 12 9.173 8.486 7.493 1.00 0.00 N ATOM 0 H ARG A 12 7.036 7.333 0.239 1.00 0.00 H new ATOM 0 HA ARG A 12 6.187 9.743 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.519 7.886 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.869 9.551 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.513 8.340 3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.074 7.667 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.752 10.256 3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.028 10.455 4.225 1.00 0.00 H new ATOM 0 HE ARG A 12 7.210 9.481 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.139 8.879 4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.027 8.220 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.362 8.634 8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.027 8.082 7.878 1.00 0.00 H new ATOM 214 N ASN A 13 7.646 11.564 0.476 1.00 0.00 N ATOM 215 CA ASN A 13 8.191 12.610 -0.390 1.00 0.00 C ATOM 216 C ASN A 13 9.233 13.482 0.316 1.00 0.00 C ATOM 217 O ASN A 13 9.638 13.220 1.448 1.00 0.00 O ATOM 218 CB ASN A 13 7.075 13.493 -0.962 1.00 0.00 C ATOM 219 CG ASN A 13 6.128 14.017 0.096 1.00 0.00 C ATOM 220 OD1 ASN A 13 4.934 13.728 0.071 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.655 14.801 1.026 1.00 0.00 N ATOM 0 H ASN A 13 7.355 11.884 1.400 1.00 0.00 H new ATOM 0 HA ASN A 13 8.695 12.093 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.522 14.335 -1.490 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.508 12.921 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.063 15.191 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.652 15.014 1.008 1.00 0.00 H new ATOM 228 N GLU A 14 9.638 14.532 -0.394 1.00 0.00 N ATOM 229 CA GLU A 14 10.614 15.506 0.075 1.00 0.00 C ATOM 230 C GLU A 14 10.301 16.003 1.476 1.00 0.00 C ATOM 231 O GLU A 14 11.125 15.934 2.388 1.00 0.00 O ATOM 232 CB GLU A 14 10.598 16.695 -0.887 1.00 0.00 C ATOM 233 CG GLU A 14 11.477 17.858 -0.451 1.00 0.00 C ATOM 234 CD GLU A 14 12.425 18.315 -1.543 1.00 0.00 C ATOM 235 OE1 GLU A 14 11.943 18.855 -2.560 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.650 18.133 -1.380 1.00 0.00 O ATOM 0 H GLU A 14 9.288 14.732 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 14 11.592 15.025 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.923 16.357 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.572 17.049 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.845 18.694 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.054 17.564 0.426 1.00 0.00 H new ATOM 243 N ASN A 15 9.106 16.527 1.605 1.00 0.00 N ATOM 244 CA ASN A 15 8.620 17.095 2.863 1.00 0.00 C ATOM 245 C ASN A 15 8.534 16.061 3.990 1.00 0.00 C ATOM 246 O ASN A 15 8.258 16.420 5.136 1.00 0.00 O ATOM 247 CB ASN A 15 7.249 17.735 2.650 1.00 0.00 C ATOM 248 CG ASN A 15 6.863 18.668 3.782 1.00 0.00 C ATOM 249 OD1 ASN A 15 7.596 18.813 4.759 1.00 0.00 O ATOM 250 ND2 ASN A 15 5.704 19.306 3.654 1.00 0.00 N ATOM 0 H ASN A 15 8.431 16.577 0.842 1.00 0.00 H new ATOM 0 HA ASN A 15 9.346 17.848 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.252 18.289 1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.496 16.952 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.391 19.946 4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.128 19.155 2.826 1.00 0.00 H new ATOM 257 N ASN A 16 8.753 14.787 3.671 1.00 0.00 N ATOM 258 CA ASN A 16 8.682 13.715 4.670 1.00 0.00 C ATOM 259 C ASN A 16 7.231 13.318 4.944 1.00 0.00 C ATOM 260 O ASN A 16 6.952 12.512 5.834 1.00 0.00 O ATOM 261 CB ASN A 16 9.376 14.124 5.972 1.00 0.00 C ATOM 262 CG ASN A 16 10.447 13.136 6.389 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.156 11.985 6.711 1.00 0.00 O ATOM 264 ND2 ASN A 16 11.698 13.584 6.385 1.00 0.00 N ATOM 0 H ASN A 16 8.981 14.469 2.729 1.00 0.00 H new ATOM 0 HA ASN A 16 9.206 12.851 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.823 15.110 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.634 14.208 6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.462 12.965 6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.894 14.547 6.111 1.00 0.00 H new ATOM 271 N GLU A 17 6.314 13.870 4.158 1.00 0.00 N ATOM 272 CA GLU A 17 4.902 13.553 4.293 1.00 0.00 C ATOM 273 C GLU A 17 4.522 12.549 3.211 1.00 0.00 C ATOM 274 O GLU A 17 5.059 12.592 2.109 1.00 0.00 O ATOM 275 CB GLU A 17 4.056 14.827 4.197 1.00 0.00 C ATOM 276 CG GLU A 17 3.813 15.306 2.776 1.00 0.00 C ATOM 277 CD GLU A 17 4.066 16.792 2.606 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.793 17.552 3.558 1.00 0.00 O ATOM 279 OE2 GLU A 17 4.535 17.194 1.521 1.00 0.00 O ATOM 0 H GLU A 17 6.526 14.541 3.419 1.00 0.00 H new ATOM 0 HA GLU A 17 4.710 13.111 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.094 14.648 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.550 15.621 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.459 14.752 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.784 15.082 2.493 1.00 0.00 H new ATOM 286 N ILE A 18 3.690 11.579 3.556 1.00 0.00 N ATOM 287 CA ILE A 18 3.378 10.515 2.608 1.00 0.00 C ATOM 288 C ILE A 18 2.005 10.637 1.944 1.00 0.00 C ATOM 289 O ILE A 18 0.960 10.558 2.590 1.00 0.00 O ATOM 290 CB ILE A 18 3.470 9.156 3.336 1.00 0.00 C ATOM 291 CG1 ILE A 18 3.510 7.996 2.348 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.316 8.986 4.309 1.00 0.00 C ATOM 293 CD1 ILE A 18 2.278 7.886 1.471 1.00 0.00 C ATOM 0 H ILE A 18 3.227 11.503 4.462 1.00 0.00 H new ATOM 0 HA ILE A 18 4.109 10.598 1.803 1.00 0.00 H new ATOM 0 HB ILE A 18 4.403 9.148 3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.388 8.106 1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.633 7.065 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.402 8.022 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.345 9.784 5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.372 9.030 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.386 7.036 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.397 7.743 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.164 8.800 0.888 1.00 0.00 H new ATOM 305 N PHE A 19 2.052 10.842 0.626 1.00 0.00 N ATOM 306 CA PHE A 19 0.859 10.994 -0.202 1.00 0.00 C ATOM 307 C PHE A 19 0.007 9.723 -0.221 1.00 0.00 C ATOM 308 O PHE A 19 0.362 8.727 -0.851 1.00 0.00 O ATOM 309 CB PHE A 19 1.267 11.383 -1.634 1.00 0.00 C ATOM 310 CG PHE A 19 0.485 10.686 -2.716 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.849 10.989 -2.934 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.086 9.723 -3.509 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.566 10.344 -3.924 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.372 9.074 -4.499 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.955 9.386 -4.706 1.00 0.00 C ATOM 0 H PHE A 19 2.925 10.907 0.102 1.00 0.00 H new ATOM 0 HA PHE A 19 0.249 11.785 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.147 12.460 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.326 11.163 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.334 11.737 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.126 9.476 -3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.605 10.590 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.853 8.324 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.515 8.881 -5.479 1.00 0.00 H new ATOM 325 N ILE A 20 -1.125 9.785 0.463 1.00 0.00 N ATOM 326 CA ILE A 20 -2.049 8.657 0.519 1.00 0.00 C ATOM 327 C ILE A 20 -3.376 9.014 -0.138 1.00 0.00 C ATOM 328 O ILE A 20 -3.856 10.141 -0.015 1.00 0.00 O ATOM 329 CB ILE A 20 -2.316 8.175 1.965 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.475 8.961 2.975 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.029 6.687 2.083 1.00 0.00 C ATOM 332 CD1 ILE A 20 -1.964 8.830 4.399 1.00 0.00 C ATOM 0 H ILE A 20 -1.428 10.605 0.989 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.569 7.843 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.367 8.353 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.442 8.617 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.476 10.014 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.220 6.359 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.674 6.137 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.986 6.496 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.321 9.412 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.987 9.201 4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.937 7.782 4.698 1.00 0.00 H new ATOM 344 N THR A 21 -3.969 8.046 -0.829 1.00 0.00 N ATOM 345 CA THR A 21 -5.247 8.269 -1.493 1.00 0.00 C ATOM 346 C THR A 21 -6.348 8.397 -0.453 1.00 0.00 C ATOM 347 O THR A 21 -6.676 7.430 0.231 1.00 0.00 O ATOM 348 CB THR A 21 -5.567 7.120 -2.460 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.197 6.049 -1.779 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.348 6.560 -3.164 1.00 0.00 C ATOM 0 H THR A 21 -3.588 7.107 -0.943 1.00 0.00 H new ATOM 0 HA THR A 21 -5.184 9.192 -2.069 1.00 0.00 H new ATOM 0 HB THR A 21 -6.227 7.558 -3.209 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.030 6.130 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.652 5.752 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.869 7.348 -3.744 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.645 6.176 -2.425 1.00 0.00 H new ATOM 358 N ARG A 22 -6.906 9.595 -0.325 1.00 0.00 N ATOM 359 CA ARG A 22 -7.959 9.838 0.650 1.00 0.00 C ATOM 360 C ARG A 22 -9.158 10.510 0.003 1.00 0.00 C ATOM 361 O ARG A 22 -9.007 11.294 -0.935 1.00 0.00 O ATOM 362 CB ARG A 22 -7.426 10.693 1.803 1.00 0.00 C ATOM 363 CG ARG A 22 -7.119 12.132 1.420 1.00 0.00 C ATOM 364 CD ARG A 22 -7.271 13.069 2.609 1.00 0.00 C ATOM 365 NE ARG A 22 -5.979 13.508 3.130 1.00 0.00 N ATOM 366 CZ ARG A 22 -5.798 14.631 3.823 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.824 15.432 4.086 1.00 0.00 N ATOM 368 NH2 ARG A 22 -4.586 14.954 4.255 1.00 0.00 N ATOM 0 H ARG A 22 -6.647 10.409 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.285 8.876 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.158 10.692 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.519 10.231 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.103 12.197 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.788 12.447 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.856 13.939 2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.828 12.565 3.399 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.166 12.919 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.758 15.189 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.678 16.290 4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.794 14.343 4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.446 15.814 4.786 1.00 0.00 H new ATOM 493 N ASN A 31 -13.512 7.765 4.228 1.00 0.00 N ATOM 494 CA ASN A 31 -13.043 6.457 4.675 1.00 0.00 C ATOM 495 C ASN A 31 -12.269 5.724 3.575 1.00 0.00 C ATOM 496 O ASN A 31 -12.155 4.498 3.604 1.00 0.00 O ATOM 497 CB ASN A 31 -14.228 5.604 5.137 1.00 0.00 C ATOM 498 CG ASN A 31 -14.226 5.376 6.636 1.00 0.00 C ATOM 499 OD1 ASN A 31 -13.831 4.312 7.113 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.669 6.376 7.387 1.00 0.00 N ATOM 0 HA ASN A 31 -12.361 6.618 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.158 6.092 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.201 4.642 4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.692 6.280 8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.987 7.241 6.949 1.00 0.00 H new ATOM 507 N LYS A 32 -11.738 6.471 2.610 1.00 0.00 N ATOM 508 CA LYS A 32 -10.980 5.873 1.514 1.00 0.00 C ATOM 509 C LYS A 32 -9.516 6.289 1.555 1.00 0.00 C ATOM 510 O LYS A 32 -8.832 6.304 0.532 1.00 0.00 O ATOM 511 CB LYS A 32 -11.596 6.244 0.165 1.00 0.00 C ATOM 512 CG LYS A 32 -11.682 5.077 -0.804 1.00 0.00 C ATOM 513 CD LYS A 32 -13.019 4.361 -0.698 1.00 0.00 C ATOM 514 CE LYS A 32 -12.968 2.985 -1.341 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.786 1.906 -0.330 1.00 0.00 N ATOM 0 H LYS A 32 -11.818 7.487 2.564 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.026 4.791 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.597 6.644 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.005 7.040 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.541 5.438 -1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.874 4.374 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.298 4.263 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.792 4.960 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.889 2.810 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.150 2.950 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.756 0.983 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.895 2.058 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.580 1.922 0.342 1.00 0.00 H new ATOM 529 N LEU A 33 -9.048 6.620 2.746 1.00 0.00 N ATOM 530 CA LEU A 33 -7.663 7.037 2.947 1.00 0.00 C ATOM 531 C LEU A 33 -6.715 5.847 2.799 1.00 0.00 C ATOM 532 O LEU A 33 -6.029 5.467 3.746 1.00 0.00 O ATOM 533 CB LEU A 33 -7.510 7.660 4.336 1.00 0.00 C ATOM 534 CG LEU A 33 -6.413 8.714 4.466 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.229 9.116 5.920 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.105 8.204 3.882 1.00 0.00 C ATOM 0 H LEU A 33 -9.609 6.609 3.598 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.406 7.777 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.460 8.113 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.311 6.863 5.053 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.717 9.595 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.443 9.868 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.162 9.528 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.950 8.241 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.337 8.971 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.794 7.305 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.245 7.970 2.827 1.00 0.00 H new ATOM 548 N GLU A 34 -6.691 5.258 1.607 1.00 0.00 N ATOM 549 CA GLU A 34 -5.844 4.096 1.346 1.00 0.00 C ATOM 550 C GLU A 34 -4.639 4.449 0.478 1.00 0.00 C ATOM 551 O GLU A 34 -4.548 5.546 -0.070 1.00 0.00 O ATOM 552 CB GLU A 34 -6.673 2.993 0.678 1.00 0.00 C ATOM 553 CG GLU A 34 -6.021 1.617 0.702 1.00 0.00 C ATOM 554 CD GLU A 34 -5.481 1.243 2.069 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.012 1.749 3.079 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.526 0.440 2.130 1.00 0.00 O ATOM 0 H GLU A 34 -7.246 5.564 0.808 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.461 3.741 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.642 2.932 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.863 3.274 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.750 0.870 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.208 1.593 -0.023 1.00 0.00 H new ATOM 563 N PHE A 35 -3.706 3.504 0.377 1.00 0.00 N ATOM 564 CA PHE A 35 -2.489 3.696 -0.407 1.00 0.00 C ATOM 565 C PHE A 35 -2.371 2.669 -1.539 1.00 0.00 C ATOM 566 O PHE A 35 -3.018 1.622 -1.518 1.00 0.00 O ATOM 567 CB PHE A 35 -1.242 3.620 0.494 1.00 0.00 C ATOM 568 CG PHE A 35 -1.507 3.143 1.901 1.00 0.00 C ATOM 569 CD1 PHE A 35 -2.110 1.917 2.134 1.00 0.00 C ATOM 570 CD2 PHE A 35 -1.151 3.924 2.988 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.354 1.483 3.423 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.392 3.494 4.279 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.995 2.273 4.497 1.00 0.00 C ATOM 0 H PHE A 35 -3.771 2.593 0.831 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.551 4.688 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.516 2.953 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.784 4.608 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.392 1.294 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.679 4.882 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.826 0.526 3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.108 4.114 5.117 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.186 1.936 5.505 1.00 0.00 H new ATOM 583 N PRO A 36 -1.508 2.960 -2.532 1.00 0.00 N ATOM 584 CA PRO A 36 -1.246 2.080 -3.684 1.00 0.00 C ATOM 585 C PRO A 36 -0.925 0.649 -3.262 1.00 0.00 C ATOM 586 O PRO A 36 -0.694 0.383 -2.083 1.00 0.00 O ATOM 587 CB PRO A 36 -0.026 2.717 -4.369 1.00 0.00 C ATOM 588 CG PRO A 36 0.496 3.728 -3.406 1.00 0.00 C ATOM 589 CD PRO A 36 -0.686 4.177 -2.602 1.00 0.00 C ATOM 0 HA PRO A 36 -2.119 2.002 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.731 1.967 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.307 3.184 -5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.264 3.296 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.954 4.567 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.394 4.526 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.217 4.997 -3.085 1.00 0.00 H new ATOM 597 N GLY A 37 -0.904 -0.277 -4.227 1.00 0.00 N ATOM 598 CA GLY A 37 -0.599 -1.658 -3.896 1.00 0.00 C ATOM 599 C GLY A 37 -1.799 -2.583 -3.845 1.00 0.00 C ATOM 600 O GLY A 37 -2.104 -3.186 -2.816 1.00 0.00 O ATOM 0 H GLY A 37 -1.090 -0.096 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.108 -2.044 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.099 -1.682 -2.928 1.00 0.00 H new ATOM 604 N GLY A 38 -2.462 -2.691 -4.971 1.00 0.00 N ATOM 605 CA GLY A 38 -3.625 -3.548 -5.098 1.00 0.00 C ATOM 606 C GLY A 38 -3.583 -4.396 -6.364 1.00 0.00 C ATOM 607 O GLY A 38 -3.639 -3.849 -7.465 1.00 0.00 O ATOM 0 H GLY A 38 -2.215 -2.191 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.689 -4.201 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.526 -2.935 -5.104 1.00 0.00 H new ATOM 611 N LYS A 39 -3.487 -5.734 -6.207 1.00 0.00 N ATOM 612 CA LYS A 39 -3.443 -6.675 -7.338 1.00 0.00 C ATOM 613 C LYS A 39 -2.037 -7.220 -7.574 1.00 0.00 C ATOM 614 O LYS A 39 -1.712 -7.659 -8.678 1.00 0.00 O ATOM 615 CB LYS A 39 -3.970 -6.049 -8.634 1.00 0.00 C ATOM 616 CG LYS A 39 -4.078 -7.044 -9.776 1.00 0.00 C ATOM 617 CD LYS A 39 -5.333 -6.816 -10.603 1.00 0.00 C ATOM 618 CE LYS A 39 -6.456 -7.750 -10.182 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.974 -7.420 -8.825 1.00 0.00 N ATOM 0 H LYS A 39 -3.438 -6.187 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.098 -7.501 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.951 -5.612 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.310 -5.234 -8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.200 -6.960 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.085 -8.058 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.659 -5.782 -10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.107 -6.969 -11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.269 -7.689 -10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.096 -8.779 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.738 -8.080 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.205 -7.502 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.341 -6.447 -8.821 1.00 0.00 H new ATOM 633 N ILE A 40 -1.207 -7.219 -6.538 1.00 0.00 N ATOM 634 CA ILE A 40 0.151 -7.746 -6.663 1.00 0.00 C ATOM 635 C ILE A 40 0.111 -9.261 -6.711 1.00 0.00 C ATOM 636 O ILE A 40 0.916 -9.910 -7.378 1.00 0.00 O ATOM 637 CB ILE A 40 1.081 -7.276 -5.517 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.167 -8.311 -4.376 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.608 -5.932 -4.989 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.568 -8.489 -3.826 1.00 0.00 C ATOM 0 H ILE A 40 -1.444 -6.864 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 40 0.566 -7.354 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 40 2.086 -7.171 -5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.504 -8.004 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.803 -9.272 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.265 -5.606 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.628 -5.197 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.410 -6.027 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.554 -9.231 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.232 -8.826 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.928 -7.539 -3.432 1.00 0.00 H new ATOM 652 N GLU A 41 -0.850 -9.798 -5.977 1.00 0.00 N ATOM 653 CA GLU A 41 -1.066 -11.234 -5.876 1.00 0.00 C ATOM 654 C GLU A 41 -0.865 -11.925 -7.222 1.00 0.00 C ATOM 655 O GLU A 41 0.208 -12.461 -7.495 1.00 0.00 O ATOM 656 CB GLU A 41 -2.476 -11.502 -5.340 1.00 0.00 C ATOM 657 CG GLU A 41 -3.515 -10.476 -5.793 1.00 0.00 C ATOM 658 CD GLU A 41 -4.728 -11.115 -6.444 1.00 0.00 C ATOM 659 OE1 GLU A 41 -4.590 -12.231 -6.987 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.814 -10.500 -6.409 1.00 0.00 O ATOM 0 H GLU A 41 -1.509 -9.245 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.331 -11.646 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.794 -12.494 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.444 -11.516 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.837 -9.888 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.053 -9.784 -6.497 1.00 0.00 H new ATOM 667 N MET A 42 -1.901 -11.902 -8.057 1.00 0.00 N ATOM 668 CA MET A 42 -1.842 -12.523 -9.381 1.00 0.00 C ATOM 669 C MET A 42 -1.164 -13.897 -9.331 1.00 0.00 C ATOM 670 O MET A 42 -1.825 -14.914 -9.123 1.00 0.00 O ATOM 671 CB MET A 42 -1.111 -11.603 -10.364 1.00 0.00 C ATOM 672 CG MET A 42 -1.905 -10.364 -10.742 1.00 0.00 C ATOM 673 SD MET A 42 -2.735 -10.528 -12.334 1.00 0.00 S ATOM 674 CE MET A 42 -4.451 -10.429 -11.831 1.00 0.00 C ATOM 0 H MET A 42 -2.794 -11.459 -7.841 1.00 0.00 H new ATOM 0 HA MET A 42 -2.865 -12.673 -9.725 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.162 -11.296 -9.924 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.877 -12.164 -11.269 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.647 -10.163 -9.969 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.236 -9.504 -10.773 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.046 -11.121 -12.428 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.537 -10.693 -10.777 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.816 -9.413 -11.982 1.00 0.00 H new ATOM 684 N GLY A 43 0.157 -13.923 -9.522 1.00 0.00 N ATOM 685 CA GLY A 43 0.885 -15.180 -9.492 1.00 0.00 C ATOM 686 C GLY A 43 2.389 -14.998 -9.457 1.00 0.00 C ATOM 687 O GLY A 43 3.139 -15.888 -9.857 1.00 0.00 O ATOM 0 H GLY A 43 0.731 -13.098 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.574 -15.752 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.617 -15.769 -10.369 1.00 0.00 H new ATOM 691 N GLU A 44 2.827 -13.845 -8.983 1.00 0.00 N ATOM 692 CA GLU A 44 4.251 -13.537 -8.897 1.00 0.00 C ATOM 693 C GLU A 44 4.827 -13.991 -7.555 1.00 0.00 C ATOM 694 O GLU A 44 4.209 -14.786 -6.848 1.00 0.00 O ATOM 695 CB GLU A 44 4.460 -12.035 -9.094 1.00 0.00 C ATOM 696 CG GLU A 44 4.934 -11.667 -10.489 1.00 0.00 C ATOM 697 CD GLU A 44 4.038 -12.227 -11.577 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.836 -12.431 -11.308 1.00 0.00 O ATOM 699 OE2 GLU A 44 4.540 -12.461 -12.696 1.00 0.00 O ATOM 0 H GLU A 44 2.216 -13.100 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 44 4.778 -14.078 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.524 -11.516 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.189 -11.679 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.975 -10.582 -10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.949 -12.037 -10.633 1.00 0.00 H new ATOM 706 N THR A 45 6.004 -13.477 -7.199 1.00 0.00 N ATOM 707 CA THR A 45 6.636 -13.829 -5.937 1.00 0.00 C ATOM 708 C THR A 45 6.357 -12.730 -4.916 1.00 0.00 C ATOM 709 O THR A 45 6.025 -11.608 -5.295 1.00 0.00 O ATOM 710 CB THR A 45 8.147 -14.022 -6.133 1.00 0.00 C ATOM 711 OG1 THR A 45 8.478 -14.040 -7.511 1.00 0.00 O ATOM 712 CG2 THR A 45 8.678 -15.307 -5.534 1.00 0.00 C ATOM 0 H THR A 45 6.535 -12.817 -7.768 1.00 0.00 H new ATOM 0 HA THR A 45 6.224 -14.769 -5.571 1.00 0.00 H new ATOM 0 HB THR A 45 8.605 -13.178 -5.618 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.445 -14.162 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.751 -15.375 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.486 -15.315 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.179 -16.158 -5.998 1.00 0.00 H new ATOM 720 N PRO A 46 6.470 -13.024 -3.609 1.00 0.00 N ATOM 721 CA PRO A 46 6.209 -12.041 -2.561 1.00 0.00 C ATOM 722 C PRO A 46 6.815 -10.678 -2.882 1.00 0.00 C ATOM 723 O PRO A 46 6.305 -9.646 -2.444 1.00 0.00 O ATOM 724 CB PRO A 46 6.872 -12.649 -1.310 1.00 0.00 C ATOM 725 CG PRO A 46 7.521 -13.923 -1.760 1.00 0.00 C ATOM 726 CD PRO A 46 6.837 -14.320 -3.036 1.00 0.00 C ATOM 0 HA PRO A 46 5.142 -11.856 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.608 -11.965 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.133 -12.842 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.589 -13.779 -1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.415 -14.701 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.499 -14.883 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.963 -14.945 -2.852 1.00 0.00 H new ATOM 734 N GLU A 47 7.904 -10.675 -3.645 1.00 0.00 N ATOM 735 CA GLU A 47 8.569 -9.431 -4.012 1.00 0.00 C ATOM 736 C GLU A 47 8.253 -9.023 -5.453 1.00 0.00 C ATOM 737 O GLU A 47 7.893 -7.877 -5.710 1.00 0.00 O ATOM 738 CB GLU A 47 10.081 -9.569 -3.833 1.00 0.00 C ATOM 739 CG GLU A 47 10.551 -9.320 -2.409 1.00 0.00 C ATOM 740 CD GLU A 47 11.887 -8.606 -2.351 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.119 -7.711 -3.191 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.702 -8.941 -1.465 1.00 0.00 O ATOM 0 H GLU A 47 8.342 -11.516 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 47 8.193 -8.650 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.384 -10.571 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.583 -8.868 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.803 -8.727 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.629 -10.272 -1.885 1.00 0.00 H new ATOM 749 N GLN A 48 8.405 -9.956 -6.395 1.00 0.00 N ATOM 750 CA GLN A 48 8.154 -9.666 -7.803 1.00 0.00 C ATOM 751 C GLN A 48 6.669 -9.458 -8.096 1.00 0.00 C ATOM 752 O GLN A 48 6.299 -9.110 -9.217 1.00 0.00 O ATOM 753 CB GLN A 48 8.715 -10.787 -8.677 1.00 0.00 C ATOM 754 CG GLN A 48 9.904 -10.360 -9.519 1.00 0.00 C ATOM 755 CD GLN A 48 9.896 -10.984 -10.901 1.00 0.00 C ATOM 756 OE1 GLN A 48 8.917 -10.873 -11.639 1.00 0.00 O ATOM 757 NE2 GLN A 48 10.990 -11.645 -11.258 1.00 0.00 N ATOM 0 H GLN A 48 8.700 -10.914 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 48 8.662 -8.731 -8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.011 -11.620 -8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.927 -11.153 -9.335 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.905 -9.274 -9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.825 -10.635 -9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.778 -11.712 -10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.043 -12.086 -12.176 1.00 0.00 H new ATOM 766 N ALA A 49 5.823 -9.650 -7.092 1.00 0.00 N ATOM 767 CA ALA A 49 4.393 -9.454 -7.266 1.00 0.00 C ATOM 768 C ALA A 49 4.045 -7.978 -7.148 1.00 0.00 C ATOM 769 O ALA A 49 3.296 -7.437 -7.962 1.00 0.00 O ATOM 770 CB ALA A 49 3.614 -10.272 -6.249 1.00 0.00 C ATOM 0 H ALA A 49 6.102 -9.940 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 49 4.114 -9.796 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.546 -10.112 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.844 -11.329 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.893 -9.962 -5.242 1.00 0.00 H new ATOM 776 N VAL A 50 4.610 -7.328 -6.138 1.00 0.00 N ATOM 777 CA VAL A 50 4.377 -5.908 -5.923 1.00 0.00 C ATOM 778 C VAL A 50 5.224 -5.057 -6.859 1.00 0.00 C ATOM 779 O VAL A 50 4.793 -3.999 -7.298 1.00 0.00 O ATOM 780 CB VAL A 50 4.658 -5.480 -4.469 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.986 -6.040 -3.983 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.639 -3.960 -4.357 1.00 0.00 C ATOM 0 H VAL A 50 5.232 -7.762 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 50 3.321 -5.744 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 50 3.873 -5.887 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.160 -5.723 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.960 -7.129 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.791 -5.670 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.839 -3.669 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.404 -3.538 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.660 -3.585 -4.657 1.00 0.00 H new ATOM 792 N VAL A 51 6.440 -5.508 -7.150 1.00 0.00 N ATOM 793 CA VAL A 51 7.335 -4.754 -8.021 1.00 0.00 C ATOM 794 C VAL A 51 6.642 -4.364 -9.320 1.00 0.00 C ATOM 795 O VAL A 51 6.880 -3.284 -9.858 1.00 0.00 O ATOM 796 CB VAL A 51 8.621 -5.543 -8.343 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.594 -4.683 -9.139 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.276 -6.047 -7.065 1.00 0.00 C ATOM 0 H VAL A 51 6.826 -6.384 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 51 7.610 -3.850 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 51 8.348 -6.405 -8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.494 -5.258 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.126 -4.375 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.859 -3.800 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.181 -6.601 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.532 -5.200 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.584 -6.702 -6.535 1.00 0.00 H new ATOM 808 N ARG A 52 5.782 -5.245 -9.821 1.00 0.00 N ATOM 809 CA ARG A 52 5.059 -4.973 -11.059 1.00 0.00 C ATOM 810 C ARG A 52 3.892 -4.021 -10.814 1.00 0.00 C ATOM 811 O ARG A 52 3.532 -3.224 -11.679 1.00 0.00 O ATOM 812 CB ARG A 52 4.559 -6.275 -11.687 1.00 0.00 C ATOM 813 CG ARG A 52 5.384 -6.731 -12.881 1.00 0.00 C ATOM 814 CD ARG A 52 6.251 -7.933 -12.539 1.00 0.00 C ATOM 815 NE ARG A 52 7.661 -7.574 -12.412 1.00 0.00 N ATOM 816 CZ ARG A 52 8.444 -7.268 -13.444 1.00 0.00 C ATOM 817 NH1 ARG A 52 7.958 -7.270 -14.679 1.00 0.00 N ATOM 818 NH2 ARG A 52 9.717 -6.956 -13.241 1.00 0.00 N ATOM 0 H ARG A 52 5.570 -6.146 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 52 5.750 -4.494 -11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.566 -7.060 -10.930 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.523 -6.143 -12.000 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.720 -6.985 -13.707 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.016 -5.911 -13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.904 -8.376 -11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.139 -8.692 -13.313 1.00 0.00 H new ATOM 0 HE ARG A 52 8.070 -7.557 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.979 -7.507 -14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.563 -7.035 -15.466 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.096 -6.951 -12.294 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.317 -6.722 -14.032 1.00 0.00 H new ATOM 832 N GLU A 53 3.335 -4.088 -9.614 1.00 0.00 N ATOM 833 CA GLU A 53 2.241 -3.207 -9.231 1.00 0.00 C ATOM 834 C GLU A 53 2.803 -1.839 -8.863 1.00 0.00 C ATOM 835 O GLU A 53 2.185 -0.809 -9.089 1.00 0.00 O ATOM 836 CB GLU A 53 1.466 -3.796 -8.050 1.00 0.00 C ATOM 837 CG GLU A 53 -0.041 -3.653 -8.180 1.00 0.00 C ATOM 838 CD GLU A 53 -0.635 -4.640 -9.165 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.158 -5.794 -9.210 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.576 -4.260 -9.891 1.00 0.00 O ATOM 0 H GLU A 53 3.623 -4.744 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 53 1.554 -3.104 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.715 -4.853 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.791 -3.306 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.502 -3.798 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.280 -2.638 -8.498 1.00 0.00 H new ATOM 847 N LEU A 54 3.974 -1.873 -8.242 1.00 0.00 N ATOM 848 CA LEU A 54 4.619 -0.658 -7.773 1.00 0.00 C ATOM 849 C LEU A 54 4.602 0.369 -8.894 1.00 0.00 C ATOM 850 O LEU A 54 4.201 1.516 -8.697 1.00 0.00 O ATOM 851 CB LEU A 54 6.052 -0.954 -7.347 1.00 0.00 C ATOM 852 CG LEU A 54 6.524 -0.177 -6.125 1.00 0.00 C ATOM 853 CD1 LEU A 54 5.983 -0.804 -4.849 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.038 -0.106 -6.103 1.00 0.00 C ATOM 0 H LEU A 54 4.495 -2.729 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 54 4.082 -0.265 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.143 -2.020 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.718 -0.733 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 54 6.137 0.840 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.332 -0.234 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.893 -0.795 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.336 -1.832 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.363 0.452 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.449 -1.115 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.392 0.396 -7.003 1.00 0.00 H new ATOM 866 N GLN A 55 5.019 -0.057 -10.074 1.00 0.00 N ATOM 867 CA GLN A 55 5.030 0.825 -11.239 1.00 0.00 C ATOM 868 C GLN A 55 3.598 1.107 -11.693 1.00 0.00 C ATOM 869 O GLN A 55 3.306 2.154 -12.273 1.00 0.00 O ATOM 870 CB GLN A 55 5.833 0.194 -12.379 1.00 0.00 C ATOM 871 CG GLN A 55 7.026 1.029 -12.817 1.00 0.00 C ATOM 872 CD GLN A 55 8.328 0.551 -12.204 1.00 0.00 C ATOM 873 OE1 GLN A 55 8.689 -0.621 -12.320 1.00 0.00 O ATOM 874 NE2 GLN A 55 9.039 1.458 -11.545 1.00 0.00 N ATOM 0 H GLN A 55 5.354 -1.003 -10.255 1.00 0.00 H new ATOM 0 HA GLN A 55 5.505 1.766 -10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.184 -0.789 -12.065 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.175 0.039 -13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.107 0.998 -13.904 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.858 2.070 -12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.701 2.418 -11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.923 1.195 -11.109 1.00 0.00 H new ATOM 883 N GLU A 56 2.717 0.155 -11.410 1.00 0.00 N ATOM 884 CA GLU A 56 1.307 0.268 -11.763 1.00 0.00 C ATOM 885 C GLU A 56 0.571 1.195 -10.804 1.00 0.00 C ATOM 886 O GLU A 56 -0.467 1.760 -11.149 1.00 0.00 O ATOM 887 CB GLU A 56 0.645 -1.110 -11.737 1.00 0.00 C ATOM 888 CG GLU A 56 -0.461 -1.278 -12.766 1.00 0.00 C ATOM 889 CD GLU A 56 -1.759 -1.773 -12.154 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.997 -1.498 -10.957 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.538 -2.436 -12.871 1.00 0.00 O ATOM 0 H GLU A 56 2.958 -0.713 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 56 1.249 0.687 -12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.406 -1.872 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.234 -1.287 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.638 -0.324 -13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.135 -1.980 -13.533 1.00 0.00 H new ATOM 898 N GLU A 57 1.097 1.330 -9.591 1.00 0.00 N ATOM 899 CA GLU A 57 0.469 2.170 -8.582 1.00 0.00 C ATOM 900 C GLU A 57 1.270 3.449 -8.332 1.00 0.00 C ATOM 901 O GLU A 57 0.925 4.245 -7.457 1.00 0.00 O ATOM 902 CB GLU A 57 0.295 1.386 -7.281 1.00 0.00 C ATOM 903 CG GLU A 57 -0.214 -0.032 -7.488 1.00 0.00 C ATOM 904 CD GLU A 57 -1.713 -0.089 -7.699 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.304 0.960 -8.031 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.295 -1.181 -7.536 1.00 0.00 O ATOM 0 H GLU A 57 1.954 0.869 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.511 2.466 -8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.251 1.347 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.400 1.922 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.287 -0.472 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.050 -0.639 -6.622 1.00 0.00 H new ATOM 913 N VAL A 58 2.323 3.652 -9.120 1.00 0.00 N ATOM 914 CA VAL A 58 3.151 4.845 -9.004 1.00 0.00 C ATOM 915 C VAL A 58 3.425 5.416 -10.384 1.00 0.00 C ATOM 916 O VAL A 58 3.337 6.624 -10.603 1.00 0.00 O ATOM 917 CB VAL A 58 4.498 4.555 -8.313 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.217 5.850 -7.977 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.298 3.724 -7.061 1.00 0.00 C ATOM 0 H VAL A 58 2.622 3.002 -9.847 1.00 0.00 H new ATOM 0 HA VAL A 58 2.601 5.560 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 58 5.115 3.984 -9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.165 5.624 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.404 6.411 -8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.598 6.446 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.264 3.533 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.657 4.264 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.829 2.776 -7.325 1.00 0.00 H new ATOM 929 N GLY A 59 3.748 4.525 -11.318 1.00 0.00 N ATOM 930 CA GLY A 59 4.025 4.927 -12.681 1.00 0.00 C ATOM 931 C GLY A 59 5.331 5.673 -12.836 1.00 0.00 C ATOM 932 O GLY A 59 6.081 5.446 -13.785 1.00 0.00 O ATOM 0 H GLY A 59 3.823 3.522 -11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.044 4.041 -13.316 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.211 5.558 -13.038 1.00 0.00 H new ATOM 936 N ILE A 60 5.595 6.563 -11.904 1.00 0.00 N ATOM 937 CA ILE A 60 6.805 7.361 -11.919 1.00 0.00 C ATOM 938 C ILE A 60 8.006 6.560 -11.434 1.00 0.00 C ATOM 939 O ILE A 60 7.903 5.364 -11.163 1.00 0.00 O ATOM 940 CB ILE A 60 6.682 8.628 -11.039 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.663 8.458 -9.912 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.339 9.839 -11.888 1.00 0.00 C ATOM 943 CD1 ILE A 60 6.063 9.177 -8.642 1.00 0.00 C ATOM 0 H ILE A 60 4.978 6.755 -11.114 1.00 0.00 H new ATOM 0 HA ILE A 60 6.950 7.659 -12.957 1.00 0.00 H new ATOM 0 HB ILE A 60 7.654 8.786 -10.572 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.695 8.832 -10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.539 7.396 -9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.257 10.719 -11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.123 9.999 -12.628 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.390 9.670 -12.396 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.301 9.019 -7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.017 8.786 -8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.160 10.244 -8.843 1.00 0.00 H new ATOM 955 N THR A 61 9.143 7.240 -11.328 1.00 0.00 N ATOM 956 CA THR A 61 10.374 6.637 -10.877 1.00 0.00 C ATOM 957 C THR A 61 10.751 7.206 -9.514 1.00 0.00 C ATOM 958 O THR A 61 11.417 8.238 -9.430 1.00 0.00 O ATOM 959 CB THR A 61 11.456 6.965 -11.886 1.00 0.00 C ATOM 960 OG1 THR A 61 11.254 8.261 -12.424 1.00 0.00 O ATOM 961 CG2 THR A 61 11.506 5.994 -13.043 1.00 0.00 C ATOM 0 H THR A 61 9.228 8.231 -11.556 1.00 0.00 H new ATOM 0 HA THR A 61 10.258 5.557 -10.787 1.00 0.00 H new ATOM 0 HB THR A 61 12.396 6.902 -11.339 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.188 8.912 -11.694 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.302 6.285 -13.729 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.701 4.990 -12.667 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.552 6.006 -13.569 1.00 0.00 H new ATOM 969 N PRO A 62 10.275 6.586 -8.426 1.00 0.00 N ATOM 970 CA PRO A 62 10.495 7.067 -7.079 1.00 0.00 C ATOM 971 C PRO A 62 11.417 6.210 -6.226 1.00 0.00 C ATOM 972 O PRO A 62 11.461 4.988 -6.373 1.00 0.00 O ATOM 973 CB PRO A 62 9.080 6.928 -6.549 1.00 0.00 C ATOM 974 CG PRO A 62 8.626 5.612 -7.104 1.00 0.00 C ATOM 975 CD PRO A 62 9.393 5.410 -8.395 1.00 0.00 C ATOM 0 HA PRO A 62 10.970 8.048 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.057 6.933 -5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.443 7.746 -6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.827 4.803 -6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.551 5.616 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.959 4.478 -8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.731 5.376 -9.260 1.00 0.00 H new ATOM 983 N GLN A 63 12.084 6.851 -5.267 1.00 0.00 N ATOM 984 CA GLN A 63 12.914 6.126 -4.328 1.00 0.00 C ATOM 985 C GLN A 63 11.952 5.451 -3.370 1.00 0.00 C ATOM 986 O GLN A 63 11.649 5.956 -2.291 1.00 0.00 O ATOM 987 CB GLN A 63 13.861 7.068 -3.587 1.00 0.00 C ATOM 988 CG GLN A 63 15.040 7.514 -4.431 1.00 0.00 C ATOM 989 CD GLN A 63 16.007 8.398 -3.667 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.368 9.483 -4.123 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.433 7.935 -2.498 1.00 0.00 N ATOM 0 H GLN A 63 12.062 7.861 -5.127 1.00 0.00 H new ATOM 0 HA GLN A 63 13.549 5.399 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.306 7.946 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.231 6.570 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.571 6.636 -4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.673 8.054 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.107 7.030 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.086 8.484 -1.939 1.00 0.00 H new ATOM 1000 N HIS A 64 11.432 4.331 -3.829 1.00 0.00 N ATOM 1001 CA HIS A 64 10.434 3.577 -3.091 1.00 0.00 C ATOM 1002 C HIS A 64 10.853 2.130 -2.929 1.00 0.00 C ATOM 1003 O HIS A 64 11.269 1.482 -3.889 1.00 0.00 O ATOM 1004 CB HIS A 64 9.109 3.697 -3.854 1.00 0.00 C ATOM 1005 CG HIS A 64 8.024 2.721 -3.473 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.683 3.040 -3.555 1.00 0.00 N ATOM 1007 CD2 HIS A 64 8.070 1.434 -3.038 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.958 1.999 -3.187 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.774 1.014 -2.869 1.00 0.00 N ATOM 0 H HIS A 64 11.688 3.916 -4.725 1.00 0.00 H new ATOM 0 HA HIS A 64 10.322 3.978 -2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.724 4.707 -3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.316 3.580 -4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.961 0.850 -2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.879 1.961 -3.153 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.488 0.089 -2.549 1.00 0.00 H new ATOM 1018 N PHE A 65 10.737 1.624 -1.705 1.00 0.00 N ATOM 1019 CA PHE A 65 11.100 0.257 -1.409 1.00 0.00 C ATOM 1020 C PHE A 65 10.989 -0.022 0.087 1.00 0.00 C ATOM 1021 O PHE A 65 10.476 0.793 0.845 1.00 0.00 O ATOM 1022 CB PHE A 65 12.528 0.014 -1.861 1.00 0.00 C ATOM 1023 CG PHE A 65 12.736 -1.316 -2.528 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.824 -1.782 -3.463 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.842 -2.097 -2.232 1.00 0.00 C ATOM 1026 CE1 PHE A 65 12.008 -3.000 -4.087 1.00 0.00 C ATOM 1027 CE2 PHE A 65 14.030 -3.319 -2.853 1.00 0.00 C ATOM 1028 CZ PHE A 65 13.111 -3.769 -3.784 1.00 0.00 C ATOM 0 H PHE A 65 10.391 2.150 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 65 10.418 -0.409 -1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.820 0.805 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.189 0.084 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.958 -1.184 -3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.565 -1.748 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.288 -3.350 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.893 -3.921 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.258 -4.721 -4.272 1.00 0.00 H new ATOM 1038 N SER A 66 11.490 -1.180 0.498 1.00 0.00 N ATOM 1039 CA SER A 66 11.474 -1.584 1.898 1.00 0.00 C ATOM 1040 C SER A 66 10.061 -1.890 2.357 1.00 0.00 C ATOM 1041 O SER A 66 9.096 -1.503 1.706 1.00 0.00 O ATOM 1042 CB SER A 66 12.087 -0.494 2.781 1.00 0.00 C ATOM 1043 OG SER A 66 13.191 0.121 2.141 1.00 0.00 O ATOM 0 H SER A 66 11.917 -1.863 -0.127 1.00 0.00 H new ATOM 0 HA SER A 66 12.072 -2.490 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.332 0.258 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.407 -0.927 3.729 1.00 0.00 H new ATOM 0 HG SER A 66 13.563 0.814 2.725 1.00 0.00 H new ATOM 1049 N LEU A 67 9.949 -2.590 3.480 1.00 0.00 N ATOM 1050 CA LEU A 67 8.649 -2.950 4.027 1.00 0.00 C ATOM 1051 C LEU A 67 8.517 -2.492 5.470 1.00 0.00 C ATOM 1052 O LEU A 67 9.305 -2.884 6.331 1.00 0.00 O ATOM 1053 CB LEU A 67 8.436 -4.463 3.938 1.00 0.00 C ATOM 1054 CG LEU A 67 9.395 -5.302 4.789 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.645 -5.990 5.922 1.00 0.00 C ATOM 1056 CD2 LEU A 67 10.117 -6.328 3.928 1.00 0.00 C ATOM 0 H LEU A 67 10.744 -2.919 4.029 1.00 0.00 H new ATOM 0 HA LEU A 67 7.884 -2.446 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.413 -4.689 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.536 -4.768 2.896 1.00 0.00 H new ATOM 0 HG LEU A 67 10.138 -4.634 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.343 -6.581 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.176 -5.238 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.878 -6.644 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.793 -6.914 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.387 -6.990 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.688 -5.816 3.154 1.00 0.00 H new ATOM 1068 N PHE A 68 7.513 -1.662 5.735 1.00 0.00 N ATOM 1069 CA PHE A 68 7.285 -1.157 7.079 1.00 0.00 C ATOM 1070 C PHE A 68 6.647 -2.250 7.939 1.00 0.00 C ATOM 1071 O PHE A 68 6.928 -2.370 9.131 1.00 0.00 O ATOM 1072 CB PHE A 68 6.394 0.098 7.026 1.00 0.00 C ATOM 1073 CG PHE A 68 5.146 0.028 7.871 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.104 -0.814 7.519 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.020 0.804 9.012 1.00 0.00 C ATOM 1076 CE1 PHE A 68 2.960 -0.884 8.289 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.876 0.740 9.786 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.844 -0.105 9.424 1.00 0.00 C ATOM 0 H PHE A 68 6.848 -1.327 5.038 1.00 0.00 H new ATOM 0 HA PHE A 68 8.237 -0.877 7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.983 0.958 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.104 0.277 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.187 -1.423 6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.824 1.466 9.300 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.157 -1.547 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.789 1.350 10.673 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.949 -0.156 10.027 1.00 0.00 H new ATOM 1088 N GLU A 69 5.787 -3.044 7.306 1.00 0.00 N ATOM 1089 CA GLU A 69 5.099 -4.137 7.986 1.00 0.00 C ATOM 1090 C GLU A 69 4.341 -5.006 6.986 1.00 0.00 C ATOM 1091 O GLU A 69 4.129 -4.610 5.843 1.00 0.00 O ATOM 1092 CB GLU A 69 4.132 -3.582 9.034 1.00 0.00 C ATOM 1093 CG GLU A 69 4.029 -4.439 10.285 1.00 0.00 C ATOM 1094 CD GLU A 69 3.041 -3.883 11.292 1.00 0.00 C ATOM 1095 OE1 GLU A 69 3.405 -2.938 12.022 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.902 -4.394 11.348 1.00 0.00 O ATOM 0 H GLU A 69 5.550 -2.950 6.319 1.00 0.00 H new ATOM 0 HA GLU A 69 5.847 -4.754 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.453 -2.579 9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.142 -3.486 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.728 -5.449 10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.012 -4.516 10.750 1.00 0.00 H new ATOM 1103 N LYS A 70 3.927 -6.188 7.422 1.00 0.00 N ATOM 1104 CA LYS A 70 3.178 -7.104 6.567 1.00 0.00 C ATOM 1105 C LYS A 70 2.134 -7.840 7.406 1.00 0.00 C ATOM 1106 O LYS A 70 2.449 -8.338 8.487 1.00 0.00 O ATOM 1107 CB LYS A 70 4.112 -8.109 5.878 1.00 0.00 C ATOM 1108 CG LYS A 70 5.500 -8.197 6.497 1.00 0.00 C ATOM 1109 CD LYS A 70 5.476 -8.932 7.827 1.00 0.00 C ATOM 1110 CE LYS A 70 5.304 -10.430 7.634 1.00 0.00 C ATOM 1111 NZ LYS A 70 4.890 -11.109 8.893 1.00 0.00 N ATOM 0 H LYS A 70 4.097 -6.537 8.365 1.00 0.00 H new ATOM 0 HA LYS A 70 2.680 -6.526 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.650 -9.096 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.212 -7.834 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.173 -8.710 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.898 -7.193 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.402 -8.738 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.662 -8.548 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.558 -10.613 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.241 -10.860 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.784 -12.129 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.614 -10.956 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.983 -10.717 9.217 1.00 0.00 H new ATOM 1125 N LEU A 71 0.893 -7.903 6.929 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.154 -8.575 7.685 1.00 0.00 C ATOM 1127 C LEU A 71 -0.407 -9.998 7.184 1.00 0.00 C ATOM 1128 O LEU A 71 -0.837 -10.220 6.051 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.449 -7.744 7.618 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.763 -8.536 7.544 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.144 -9.072 8.915 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.875 -7.666 6.977 1.00 0.00 C ATOM 0 H LEU A 71 0.594 -7.504 6.039 1.00 0.00 H new ATOM 0 HA LEU A 71 0.179 -8.657 8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.487 -7.099 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.393 -7.093 6.746 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.617 -9.386 6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.077 -9.630 8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.356 -9.730 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.272 -8.240 9.608 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.800 -8.241 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.020 -6.797 7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.603 -7.335 5.975 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.116 -10.948 8.060 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.289 -12.349 7.746 1.00 0.00 C ATOM 1146 C GLU A 72 -1.352 -12.984 8.639 1.00 0.00 C ATOM 1147 O GLU A 72 -1.129 -13.220 9.827 1.00 0.00 O ATOM 1148 CB GLU A 72 1.044 -13.074 7.903 1.00 0.00 C ATOM 1149 CG GLU A 72 0.931 -14.563 7.688 1.00 0.00 C ATOM 1150 CD GLU A 72 2.243 -15.291 7.908 1.00 0.00 C ATOM 1151 OE1 GLU A 72 2.538 -15.646 9.067 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.977 -15.506 6.919 1.00 0.00 O ATOM 0 H GLU A 72 0.243 -10.768 8.998 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.628 -12.437 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.761 -12.663 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.439 -12.885 8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.179 -14.967 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.581 -14.753 6.673 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.507 -13.268 8.043 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.617 -13.891 8.755 1.00 0.00 C ATOM 1161 C TYR A 73 -4.360 -14.872 7.852 1.00 0.00 C ATOM 1162 O TYR A 73 -4.882 -14.484 6.810 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.583 -12.823 9.273 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.366 -13.255 10.492 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -6.547 -13.975 10.364 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -4.925 -12.941 11.772 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -7.266 -14.371 11.476 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -5.638 -13.333 12.888 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.807 -14.048 12.735 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.520 -14.441 13.845 1.00 0.00 O ATOM 0 H TYR A 73 -2.698 -13.074 7.060 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.209 -14.442 9.602 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.020 -11.922 9.514 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.281 -12.560 8.478 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.909 -14.230 9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.010 -12.381 11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.182 -14.930 11.359 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.282 -13.081 13.876 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.060 -14.135 14.654 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.427 -16.134 8.251 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.141 -17.130 7.456 1.00 0.00 C ATOM 1182 C GLU A 74 -6.256 -17.783 8.263 1.00 0.00 C ATOM 1183 O GLU A 74 -6.004 -18.587 9.161 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.191 -18.195 6.906 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.176 -18.696 7.919 1.00 0.00 C ATOM 1186 CD GLU A 74 -1.902 -19.200 7.270 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -0.975 -18.387 7.072 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.832 -20.407 6.959 1.00 0.00 O ATOM 0 H GLU A 74 -4.003 -16.492 9.107 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.588 -16.606 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.778 -19.040 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.660 -17.786 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.932 -17.891 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.621 -19.498 8.507 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.488 -17.432 7.923 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.659 -17.964 8.583 1.00 0.00 C ATOM 1197 C PHE A 75 -8.913 -19.405 8.142 1.00 0.00 C ATOM 1198 O PHE A 75 -8.371 -19.848 7.136 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.860 -17.084 8.252 1.00 0.00 C ATOM 1200 CG PHE A 75 -9.964 -15.851 9.105 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.595 -15.893 10.336 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -9.427 -14.648 8.670 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.692 -14.759 11.120 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -9.521 -13.512 9.449 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.153 -13.566 10.676 1.00 0.00 C ATOM 0 H PHE A 75 -7.698 -16.767 7.178 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.498 -17.966 9.661 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.802 -16.786 7.205 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.771 -17.671 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.017 -16.823 10.688 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.930 -14.600 7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.188 -14.805 12.078 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.100 -12.581 9.099 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.226 -12.678 11.287 1.00 0.00 H new ATOM 1215 N PRO A 76 -9.742 -20.150 8.895 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.089 -21.541 8.596 1.00 0.00 C ATOM 1217 C PRO A 76 -10.295 -21.783 7.105 1.00 0.00 C ATOM 1218 O PRO A 76 -11.419 -21.735 6.607 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.405 -21.758 9.369 1.00 0.00 C ATOM 1220 CG PRO A 76 -11.727 -20.439 10.001 1.00 0.00 C ATOM 1221 CD PRO A 76 -10.428 -19.698 10.093 1.00 0.00 C ATOM 0 HA PRO A 76 -9.294 -22.229 8.884 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.204 -22.077 8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.292 -22.536 10.124 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.450 -19.886 9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.169 -20.577 10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.573 -18.618 10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.877 -19.950 10.999 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.184 -22.028 6.416 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.161 -22.279 4.965 1.00 0.00 C ATOM 1231 C ASP A 77 -8.801 -21.007 4.203 1.00 0.00 C ATOM 1232 O ASP A 77 -8.264 -21.061 3.097 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.496 -22.836 4.454 1.00 0.00 C ATOM 1234 CG ASP A 77 -10.975 -24.032 5.257 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -10.304 -24.390 6.248 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.020 -24.611 4.894 1.00 0.00 O ATOM 0 H ASP A 77 -8.260 -22.060 6.848 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.396 -23.034 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.251 -22.051 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.389 -23.124 3.408 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.086 -19.863 4.813 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.786 -18.569 4.216 1.00 0.00 C ATOM 1243 C ARG A 78 -7.299 -18.247 4.341 1.00 0.00 C ATOM 1244 O ARG A 78 -6.631 -18.690 5.276 1.00 0.00 O ATOM 1245 CB ARG A 78 -9.621 -17.465 4.860 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.001 -16.358 3.890 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.443 -15.913 4.083 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.149 -15.773 2.811 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.027 -14.718 2.008 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -11.226 -13.712 2.339 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -12.706 -14.669 0.870 1.00 0.00 N ATOM 0 H ARG A 78 -9.529 -19.807 5.730 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.042 -18.622 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.529 -17.901 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.063 -17.035 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.335 -15.506 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.861 -16.707 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.965 -16.637 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.460 -14.961 4.614 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.771 -16.527 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.700 -13.745 3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.137 -12.906 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.322 -15.439 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.613 -13.861 0.255 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.797 -17.452 3.406 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.405 -17.034 3.406 1.00 0.00 C ATOM 1267 C HIS A 79 -5.287 -15.620 2.844 1.00 0.00 C ATOM 1268 O HIS A 79 -5.446 -15.413 1.642 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.555 -18.003 2.579 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.391 -18.571 3.330 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -3.230 -19.921 3.560 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.325 -17.963 3.903 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -2.116 -20.119 4.243 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.548 -18.948 4.463 1.00 0.00 N ATOM 0 H HIS A 79 -7.343 -17.080 2.629 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.037 -17.041 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.186 -18.821 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.187 -17.485 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.123 -16.902 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.735 -21.076 4.566 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.674 -18.799 4.967 1.00 0.00 H new ATOM 1283 N ILE A 80 -4.991 -14.648 3.701 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.838 -13.276 3.263 1.00 0.00 C ATOM 1285 C ILE A 80 -3.455 -12.772 3.657 1.00 0.00 C ATOM 1286 O ILE A 80 -2.997 -13.013 4.774 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.919 -12.364 3.877 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.678 -10.923 3.459 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -5.928 -12.481 5.392 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.915 -10.053 3.519 1.00 0.00 C ATOM 0 H ILE A 80 -4.853 -14.791 4.702 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.952 -13.248 2.179 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.893 -12.683 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.911 -10.492 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.286 -10.911 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.699 -11.829 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.137 -13.512 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.955 -12.186 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.663 -9.040 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.678 -10.459 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.297 -10.033 4.540 1.00 0.00 H new ATOM 1302 N THR A 81 -2.783 -12.088 2.741 1.00 0.00 N ATOM 1303 CA THR A 81 -1.456 -11.579 3.010 1.00 0.00 C ATOM 1304 C THR A 81 -1.320 -10.134 2.537 1.00 0.00 C ATOM 1305 O THR A 81 -1.445 -9.851 1.347 1.00 0.00 O ATOM 1306 CB THR A 81 -0.437 -12.455 2.290 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.080 -13.299 1.352 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.368 -13.337 3.212 1.00 0.00 C ATOM 0 H THR A 81 -3.139 -11.876 1.809 1.00 0.00 H new ATOM 0 HA THR A 81 -1.278 -11.601 4.085 1.00 0.00 H new ATOM 0 HB THR A 81 0.243 -11.755 1.804 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.664 -14.186 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.071 -13.930 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.918 -12.717 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.302 -14.002 3.756 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.056 -9.226 3.468 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.897 -7.818 3.122 1.00 0.00 C ATOM 1318 C LEU A 82 0.524 -7.353 3.417 1.00 0.00 C ATOM 1319 O LEU A 82 0.941 -7.307 4.566 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.901 -6.962 3.900 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.188 -6.627 3.143 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.277 -6.190 4.110 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -2.928 -5.545 2.106 1.00 0.00 C ATOM 0 H LEU A 82 -0.948 -9.436 4.460 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.088 -7.703 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.164 -7.483 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.414 -6.031 4.189 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.528 -7.524 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.185 -5.956 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.481 -6.995 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.947 -5.305 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.853 -5.319 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.564 -4.645 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.180 -5.895 1.395 1.00 0.00 H new ATOM 1335 N TRP A 83 1.272 -7.007 2.379 1.00 0.00 N ATOM 1336 CA TRP A 83 2.644 -6.551 2.566 1.00 0.00 C ATOM 1337 C TRP A 83 2.741 -5.041 2.418 1.00 0.00 C ATOM 1338 O TRP A 83 2.387 -4.487 1.380 1.00 0.00 O ATOM 1339 CB TRP A 83 3.574 -7.231 1.562 1.00 0.00 C ATOM 1340 CG TRP A 83 3.716 -8.700 1.803 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.748 -9.548 2.249 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.893 -9.494 1.617 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.245 -10.822 2.349 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.562 -10.816 1.967 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.194 -9.218 1.187 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.484 -11.859 1.902 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.109 -10.252 1.122 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.749 -11.559 1.478 1.00 0.00 C ATOM 0 H TRP A 83 0.958 -7.032 1.409 1.00 0.00 H new ATOM 0 HA TRP A 83 2.952 -6.821 3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.193 -7.068 0.554 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.557 -6.763 1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.736 -9.259 2.489 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.721 -11.641 2.657 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.479 -8.214 0.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.210 -12.867 2.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.117 -10.050 0.792 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.486 -12.346 1.416 1.00 0.00 H new ATOM 1359 N PHE A 84 3.241 -4.382 3.456 1.00 0.00 N ATOM 1360 CA PHE A 84 3.398 -2.936 3.422 1.00 0.00 C ATOM 1361 C PHE A 84 4.850 -2.574 3.108 1.00 0.00 C ATOM 1362 O PHE A 84 5.766 -2.973 3.827 1.00 0.00 O ATOM 1363 CB PHE A 84 2.956 -2.293 4.747 1.00 0.00 C ATOM 1364 CG PHE A 84 1.460 -2.177 4.913 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.600 -3.043 4.252 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.911 -1.201 5.737 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.769 -2.939 4.405 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.458 -1.094 5.892 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.299 -1.963 5.227 1.00 0.00 C ATOM 0 H PHE A 84 3.542 -4.823 4.325 1.00 0.00 H new ATOM 0 HA PHE A 84 2.755 -2.543 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.357 -2.880 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.396 -1.298 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.007 -3.809 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.562 -0.518 6.262 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.424 -3.620 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.870 -0.330 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.369 -1.880 5.349 1.00 0.00 H new ATOM 1379 N TRP A 85 5.054 -1.814 2.032 1.00 0.00 N ATOM 1380 CA TRP A 85 6.397 -1.399 1.629 1.00 0.00 C ATOM 1381 C TRP A 85 6.658 0.038 2.062 1.00 0.00 C ATOM 1382 O TRP A 85 5.904 0.940 1.699 1.00 0.00 O ATOM 1383 CB TRP A 85 6.561 -1.532 0.114 1.00 0.00 C ATOM 1384 CG TRP A 85 6.481 -2.949 -0.364 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.349 -3.690 -0.544 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.578 -3.796 -0.721 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.675 -4.948 -0.990 1.00 0.00 N ATOM 1388 CE2 TRP A 85 7.038 -5.038 -1.108 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.966 -3.627 -0.752 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.836 -6.101 -1.519 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.757 -4.684 -1.161 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.190 -5.907 -1.540 1.00 0.00 C ATOM 0 H TRP A 85 4.308 -1.474 1.425 1.00 0.00 H new ATOM 0 HA TRP A 85 7.123 -2.049 2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.789 -0.944 -0.382 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.522 -1.110 -0.180 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.344 -3.339 -0.362 1.00 0.00 H new ATOM 0 HE1 TRP A 85 5.011 -5.694 -1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.412 -2.687 -0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.402 -7.046 -1.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.830 -4.565 -1.189 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.835 -6.714 -1.855 1.00 0.00 H new ATOM 1403 N LEU A 86 7.692 0.256 2.881 1.00 0.00 N ATOM 1404 CA LEU A 86 7.946 1.608 3.368 1.00 0.00 C ATOM 1405 C LEU A 86 8.736 2.460 2.369 1.00 0.00 C ATOM 1406 O LEU A 86 9.963 2.402 2.303 1.00 0.00 O ATOM 1407 CB LEU A 86 8.700 1.546 4.696 1.00 0.00 C ATOM 1408 CG LEU A 86 9.052 2.905 5.305 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.832 3.523 5.972 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.191 2.760 6.304 1.00 0.00 C ATOM 0 H LEU A 86 8.342 -0.458 3.209 1.00 0.00 H new ATOM 0 HA LEU A 86 6.976 2.086 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.097 0.989 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.621 0.982 4.548 1.00 0.00 H new ATOM 0 HG LEU A 86 9.378 3.569 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.101 4.489 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.043 3.661 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.476 2.863 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.429 3.735 6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.891 2.081 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.070 2.360 5.798 1.00 0.00 H new ATOM 1422 N VAL A 87 7.991 3.250 1.607 1.00 0.00 N ATOM 1423 CA VAL A 87 8.539 4.142 0.583 1.00 0.00 C ATOM 1424 C VAL A 87 9.247 5.326 1.185 1.00 0.00 C ATOM 1425 O VAL A 87 8.854 5.822 2.241 1.00 0.00 O ATOM 1426 CB VAL A 87 7.444 4.676 -0.326 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.029 5.416 -1.518 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.540 3.539 -0.767 1.00 0.00 C ATOM 0 H VAL A 87 6.975 3.293 1.681 1.00 0.00 H new ATOM 0 HA VAL A 87 9.248 3.541 0.014 1.00 0.00 H new ATOM 0 HB VAL A 87 6.846 5.396 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.221 5.786 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.628 6.256 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.658 4.738 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.757 3.928 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.127 2.797 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.086 3.075 0.108 1.00 0.00 H new ATOM 1438 N GLU A 88 10.303 5.775 0.523 1.00 0.00 N ATOM 1439 CA GLU A 88 11.049 6.905 1.043 1.00 0.00 C ATOM 1440 C GLU A 88 10.928 8.177 0.192 1.00 0.00 C ATOM 1441 O GLU A 88 10.977 9.279 0.740 1.00 0.00 O ATOM 1442 CB GLU A 88 12.525 6.538 1.217 1.00 0.00 C ATOM 1443 CG GLU A 88 12.755 5.093 1.630 1.00 0.00 C ATOM 1444 CD GLU A 88 14.193 4.823 2.029 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.103 5.403 1.400 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.408 4.028 2.969 1.00 0.00 O ATOM 0 H GLU A 88 10.654 5.385 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 88 10.600 7.135 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.049 6.726 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.967 7.195 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.098 4.848 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.481 4.435 0.805 1.00 0.00 H new ATOM 1453 N ARG A 89 10.793 8.054 -1.130 1.00 0.00 N ATOM 1454 CA ARG A 89 10.702 9.249 -1.971 1.00 0.00 C ATOM 1455 C ARG A 89 10.142 8.930 -3.355 1.00 0.00 C ATOM 1456 O ARG A 89 10.097 7.771 -3.763 1.00 0.00 O ATOM 1457 CB ARG A 89 12.088 9.910 -2.074 1.00 0.00 C ATOM 1458 CG ARG A 89 12.404 10.531 -3.429 1.00 0.00 C ATOM 1459 CD ARG A 89 13.806 11.117 -3.460 1.00 0.00 C ATOM 1460 NE ARG A 89 14.138 11.672 -4.770 1.00 0.00 N ATOM 1461 CZ ARG A 89 15.135 12.527 -4.982 1.00 0.00 C ATOM 1462 NH1 ARG A 89 15.902 12.927 -3.975 1.00 0.00 N ATOM 1463 NH2 ARG A 89 15.367 12.984 -6.205 1.00 0.00 N ATOM 0 H ARG A 89 10.745 7.166 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 89 10.005 9.945 -1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.163 10.684 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.848 9.163 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.307 9.775 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.677 11.312 -3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.890 11.898 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.528 10.343 -3.200 1.00 0.00 H new ATOM 0 HE ARG A 89 13.572 11.387 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.729 12.579 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.665 13.583 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.781 12.680 -6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.131 13.640 -6.368 1.00 0.00 H new ATOM 1477 N TRP A 90 9.735 9.974 -4.081 1.00 0.00 N ATOM 1478 CA TRP A 90 9.203 9.801 -5.427 1.00 0.00 C ATOM 1479 C TRP A 90 9.525 11.000 -6.318 1.00 0.00 C ATOM 1480 O TRP A 90 9.326 12.149 -5.924 1.00 0.00 O ATOM 1481 CB TRP A 90 7.692 9.543 -5.385 1.00 0.00 C ATOM 1482 CG TRP A 90 6.851 10.766 -5.194 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.645 11.773 -6.093 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.080 11.098 -4.037 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.793 12.711 -5.563 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.431 12.318 -4.302 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.876 10.479 -2.802 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.588 12.930 -3.378 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.039 11.090 -1.886 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.403 12.302 -2.178 1.00 0.00 C ATOM 0 H TRP A 90 9.765 10.941 -3.758 1.00 0.00 H new ATOM 0 HA TRP A 90 9.689 8.929 -5.863 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.395 9.056 -6.314 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.480 8.843 -4.577 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.087 11.824 -7.077 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.481 13.561 -6.032 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.361 9.543 -2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.098 13.866 -3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.873 10.623 -0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.753 12.750 -1.441 1.00 0.00 H new ATOM 1501 N GLU A 91 10.029 10.723 -7.523 1.00 0.00 N ATOM 1502 CA GLU A 91 10.378 11.781 -8.464 1.00 0.00 C ATOM 1503 C GLU A 91 9.141 12.278 -9.204 1.00 0.00 C ATOM 1504 O GLU A 91 8.197 11.523 -9.432 1.00 0.00 O ATOM 1505 CB GLU A 91 11.419 11.277 -9.467 1.00 0.00 C ATOM 1506 CG GLU A 91 11.897 12.346 -10.435 1.00 0.00 C ATOM 1507 CD GLU A 91 13.067 11.884 -11.281 1.00 0.00 C ATOM 1508 OE1 GLU A 91 14.191 11.794 -10.742 1.00 0.00 O ATOM 1509 OE2 GLU A 91 12.862 11.615 -12.483 1.00 0.00 O ATOM 0 H GLU A 91 10.203 9.778 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 91 10.801 12.612 -7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.276 10.883 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.994 10.449 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.073 12.635 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.187 13.235 -9.875 1.00 0.00 H new ATOM 1516 N GLY A 92 9.153 13.554 -9.577 1.00 0.00 N ATOM 1517 CA GLY A 92 8.026 14.129 -10.286 1.00 0.00 C ATOM 1518 C GLY A 92 6.736 14.042 -9.493 1.00 0.00 C ATOM 1519 O GLY A 92 6.622 14.626 -8.415 1.00 0.00 O ATOM 0 H GLY A 92 9.923 14.199 -9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.239 15.173 -10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.899 13.614 -11.238 1.00 0.00 H new ATOM 1523 N GLU A 93 5.763 13.309 -10.026 1.00 0.00 N ATOM 1524 CA GLU A 93 4.477 13.148 -9.359 1.00 0.00 C ATOM 1525 C GLU A 93 4.029 11.686 -9.390 1.00 0.00 C ATOM 1526 O GLU A 93 4.203 11.002 -10.397 1.00 0.00 O ATOM 1527 CB GLU A 93 3.419 14.032 -10.023 1.00 0.00 C ATOM 1528 CG GLU A 93 3.866 15.471 -10.220 1.00 0.00 C ATOM 1529 CD GLU A 93 2.756 16.358 -10.751 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.881 15.844 -11.478 1.00 0.00 O ATOM 1531 OE2 GLU A 93 2.762 17.568 -10.438 1.00 0.00 O ATOM 0 H GLU A 93 5.841 12.818 -10.917 1.00 0.00 H new ATOM 0 HA GLU A 93 4.593 13.453 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.157 13.606 -10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.515 14.021 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.223 15.870 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.708 15.495 -10.912 1.00 0.00 H new ATOM 1538 N PRO A 94 3.433 11.188 -8.290 1.00 0.00 N ATOM 1539 CA PRO A 94 2.949 9.810 -8.201 1.00 0.00 C ATOM 1540 C PRO A 94 1.643 9.631 -8.953 1.00 0.00 C ATOM 1541 O PRO A 94 0.719 10.429 -8.794 1.00 0.00 O ATOM 1542 CB PRO A 94 2.727 9.591 -6.694 1.00 0.00 C ATOM 1543 CG PRO A 94 3.226 10.829 -6.022 1.00 0.00 C ATOM 1544 CD PRO A 94 3.156 11.917 -7.051 1.00 0.00 C ATOM 0 HA PRO A 94 3.650 9.101 -8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.672 9.426 -6.475 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.267 8.712 -6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.615 11.074 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.247 10.695 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.177 12.397 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.891 12.700 -6.866 1.00 0.00 H new ATOM 1552 N TRP A 95 1.553 8.589 -9.771 1.00 0.00 N ATOM 1553 CA TRP A 95 0.331 8.356 -10.520 1.00 0.00 C ATOM 1554 C TRP A 95 -0.028 6.880 -10.612 1.00 0.00 C ATOM 1555 O TRP A 95 -1.063 6.454 -10.100 1.00 0.00 O ATOM 1556 CB TRP A 95 0.425 8.951 -11.931 1.00 0.00 C ATOM 1557 CG TRP A 95 1.680 8.606 -12.694 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.863 9.283 -12.669 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.869 7.515 -13.612 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.769 8.698 -13.525 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.182 7.615 -14.117 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.057 6.467 -14.059 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.694 6.713 -15.048 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.568 5.572 -14.980 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.875 5.703 -15.469 1.00 0.00 C ATOM 0 H TRP A 95 2.295 7.907 -9.929 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.463 8.858 -9.967 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.436 8.613 -12.508 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.352 10.036 -11.856 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.061 10.155 -12.063 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.723 9.020 -13.690 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.048 6.359 -13.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.702 6.809 -15.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.950 4.758 -15.329 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.243 4.991 -16.193 1.00 0.00 H new ATOM 1576 N GLY A 96 0.822 6.111 -11.278 1.00 0.00 N ATOM 1577 CA GLY A 96 0.570 4.688 -11.446 1.00 0.00 C ATOM 1578 C GLY A 96 -0.885 4.377 -11.760 1.00 0.00 C ATOM 1579 O GLY A 96 -1.312 4.459 -12.912 1.00 0.00 O ATOM 0 H GLY A 96 1.685 6.445 -11.707 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.199 4.305 -12.249 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.860 4.163 -10.536 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.643 4.019 -10.724 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.062 3.690 -10.871 1.00 0.00 C ATOM 1585 C LYS A 97 -3.593 3.033 -9.595 1.00 0.00 C ATOM 1586 O LYS A 97 -3.998 1.871 -9.602 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.281 2.765 -12.075 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.029 3.428 -13.222 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.618 2.398 -14.171 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.911 2.894 -14.799 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.675 4.020 -15.744 1.00 0.00 N ATOM 0 H LYS A 97 -1.296 3.949 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.612 4.616 -11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.313 2.417 -12.436 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.836 1.885 -11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.826 4.055 -12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.351 4.083 -13.769 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.896 2.169 -14.955 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.807 1.470 -13.631 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.396 2.073 -15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.595 3.217 -14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.582 4.328 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.236 4.814 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.043 3.706 -16.508 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.577 3.786 -8.499 1.00 0.00 N ATOM 1606 CA GLU A 98 -4.046 3.281 -7.210 1.00 0.00 C ATOM 1607 C GLU A 98 -5.532 3.569 -7.006 1.00 0.00 C ATOM 1608 O GLU A 98 -6.220 2.832 -6.299 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.229 3.896 -6.068 1.00 0.00 C ATOM 1610 CG GLU A 98 -2.701 5.293 -6.363 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.798 6.274 -6.729 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -4.841 6.283 -6.042 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.613 7.034 -7.703 1.00 0.00 O ATOM 0 H GLU A 98 -3.244 4.750 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.908 2.200 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.849 3.935 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.387 3.241 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.165 5.665 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.982 5.239 -7.180 1.00 0.00 H new ATOM 1620 N GLY A 99 -6.030 4.635 -7.629 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.436 4.972 -7.491 1.00 0.00 C ATOM 1622 C GLY A 99 -7.699 6.467 -7.426 1.00 0.00 C ATOM 1623 O GLY A 99 -7.382 7.204 -8.360 1.00 0.00 O ATOM 0 H GLY A 99 -5.490 5.266 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.986 4.551 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.827 4.503 -6.588 1.00 0.00 H new ATOM 1627 N GLN A 100 -8.303 6.907 -6.324 1.00 0.00 N ATOM 1628 CA GLN A 100 -8.639 8.316 -6.131 1.00 0.00 C ATOM 1629 C GLN A 100 -7.419 9.156 -5.781 1.00 0.00 C ATOM 1630 O GLN A 100 -6.687 8.856 -4.839 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.696 8.457 -5.034 1.00 0.00 C ATOM 1632 CG GLN A 100 -11.098 8.084 -5.489 1.00 0.00 C ATOM 1633 CD GLN A 100 -11.490 6.679 -5.078 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.818 6.049 -4.262 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -12.583 6.180 -5.643 1.00 0.00 N ATOM 0 H GLN A 100 -8.571 6.304 -5.547 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.034 8.687 -7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.417 7.827 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.701 9.486 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.812 8.793 -5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.159 8.172 -6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.110 6.738 -6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.896 5.239 -5.405 1.00 0.00 H new ATOM 1644 N PRO A 101 -7.201 10.239 -6.543 1.00 0.00 N ATOM 1645 CA PRO A 101 -6.081 11.159 -6.331 1.00 0.00 C ATOM 1646 C PRO A 101 -5.864 11.505 -4.857 1.00 0.00 C ATOM 1647 O PRO A 101 -6.816 11.587 -4.081 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.533 12.392 -7.102 1.00 0.00 C ATOM 1649 CG PRO A 101 -7.300 11.840 -8.244 1.00 0.00 C ATOM 1650 CD PRO A 101 -8.044 10.663 -7.684 1.00 0.00 C ATOM 0 HA PRO A 101 -5.130 10.737 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.150 13.045 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.683 12.984 -7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.986 12.582 -8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.637 11.538 -9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.048 10.938 -7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.153 9.868 -8.421 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.604 11.705 -4.483 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.275 12.040 -3.107 1.00 0.00 C ATOM 1660 C GLY A 102 -3.303 13.203 -3.014 1.00 0.00 C ATOM 1661 O GLY A 102 -2.848 13.722 -4.033 1.00 0.00 O ATOM 0 H GLY A 102 -3.802 11.641 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.189 12.289 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.843 11.168 -2.616 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.986 13.616 -1.788 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.063 14.728 -1.572 1.00 0.00 C ATOM 1667 C GLU A 103 -1.006 14.365 -0.533 1.00 0.00 C ATOM 1668 O GLU A 103 -1.218 13.476 0.291 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.829 15.974 -1.123 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.035 17.262 -1.267 1.00 0.00 C ATOM 1671 CD GLU A 103 -2.916 18.494 -1.247 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -3.970 18.482 -1.916 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -2.553 19.473 -0.560 1.00 0.00 O ATOM 0 H GLU A 103 -3.353 13.199 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.561 14.939 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.746 16.056 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.123 15.853 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.306 17.328 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.474 17.236 -2.201 1.00 0.00 H new ATOM 1680 N TRP A 104 0.132 15.056 -0.574 1.00 0.00 N ATOM 1681 CA TRP A 104 1.208 14.789 0.378 1.00 0.00 C ATOM 1682 C TRP A 104 0.739 15.110 1.796 1.00 0.00 C ATOM 1683 O TRP A 104 0.621 16.277 2.168 1.00 0.00 O ATOM 1684 CB TRP A 104 2.466 15.622 0.035 1.00 0.00 C ATOM 1685 CG TRP A 104 2.598 15.951 -1.422 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.310 15.136 -2.478 1.00 0.00 C ATOM 1687 CD2 TRP A 104 3.052 17.189 -1.984 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.558 15.789 -3.661 1.00 0.00 N ATOM 1689 CE2 TRP A 104 3.014 17.051 -3.384 1.00 0.00 C ATOM 1690 CE3 TRP A 104 3.486 18.400 -1.437 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 3.394 18.079 -4.244 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 3.863 19.419 -2.293 1.00 0.00 C ATOM 1693 CH2 TRP A 104 3.814 19.252 -3.682 1.00 0.00 C ATOM 0 H TRP A 104 0.331 15.796 -1.247 1.00 0.00 H new ATOM 0 HA TRP A 104 1.469 13.733 0.316 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.442 16.550 0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.352 15.073 0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 104 1.941 14.124 -2.396 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.424 15.398 -4.594 1.00 0.00 H new ATOM 0 HE3 TRP A 104 3.526 18.537 -0.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 3.358 17.954 -5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 4.201 20.359 -1.883 1.00 0.00 H new ATOM 0 HH2 TRP A 104 4.114 20.067 -4.323 1.00 0.00 H new ATOM 1704 N MET A 105 0.482 14.067 2.587 1.00 0.00 N ATOM 1705 CA MET A 105 0.035 14.251 3.967 1.00 0.00 C ATOM 1706 C MET A 105 0.993 13.598 4.962 1.00 0.00 C ATOM 1707 O MET A 105 1.646 12.605 4.648 1.00 0.00 O ATOM 1708 CB MET A 105 -1.398 13.727 4.147 1.00 0.00 C ATOM 1709 CG MET A 105 -1.504 12.238 4.455 1.00 0.00 C ATOM 1710 SD MET A 105 -2.629 11.889 5.823 1.00 0.00 S ATOM 1711 CE MET A 105 -2.038 13.042 7.060 1.00 0.00 C ATOM 0 H MET A 105 0.575 13.093 2.298 1.00 0.00 H new ATOM 0 HA MET A 105 0.035 15.321 4.177 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.874 14.285 4.953 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.962 13.936 3.238 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.846 11.710 3.565 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.514 11.849 4.695 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.967 12.537 8.023 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.055 13.413 6.771 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.733 13.878 7.139 1.00 0.00 H new ATOM 1721 N SER A 106 1.067 14.163 6.163 1.00 0.00 N ATOM 1722 CA SER A 106 1.942 13.636 7.206 1.00 0.00 C ATOM 1723 C SER A 106 1.499 12.241 7.640 1.00 0.00 C ATOM 1724 O SER A 106 0.325 12.015 7.932 1.00 0.00 O ATOM 1725 CB SER A 106 1.955 14.575 8.412 1.00 0.00 C ATOM 1726 OG SER A 106 2.922 14.170 9.365 1.00 0.00 O ATOM 0 H SER A 106 0.532 14.986 6.439 1.00 0.00 H new ATOM 0 HA SER A 106 2.949 13.566 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.169 15.592 8.082 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.968 14.591 8.875 1.00 0.00 H new ATOM 0 HG SER A 106 2.911 14.788 10.125 1.00 0.00 H new ATOM 1732 N LEU A 107 2.444 11.308 7.678 1.00 0.00 N ATOM 1733 CA LEU A 107 2.147 9.933 8.075 1.00 0.00 C ATOM 1734 C LEU A 107 2.063 9.790 9.596 1.00 0.00 C ATOM 1735 O LEU A 107 1.512 8.814 10.105 1.00 0.00 O ATOM 1736 CB LEU A 107 3.204 8.974 7.519 1.00 0.00 C ATOM 1737 CG LEU A 107 2.812 7.493 7.523 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.386 7.307 7.020 1.00 0.00 C ATOM 1739 CD2 LEU A 107 3.783 6.684 6.677 1.00 0.00 C ATOM 0 H LEU A 107 3.421 11.477 7.439 1.00 0.00 H new ATOM 0 HA LEU A 107 1.173 9.676 7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.435 9.269 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.119 9.092 8.099 1.00 0.00 H new ATOM 0 HG LEU A 107 2.860 7.132 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.131 6.247 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.698 7.853 7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.307 7.687 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.490 5.634 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.766 7.052 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.790 6.785 7.082 1.00 0.00 H new ATOM 1751 N VAL A 108 2.618 10.761 10.316 1.00 0.00 N ATOM 1752 CA VAL A 108 2.614 10.741 11.778 1.00 0.00 C ATOM 1753 C VAL A 108 1.197 10.731 12.358 1.00 0.00 C ATOM 1754 O VAL A 108 1.019 10.549 13.562 1.00 0.00 O ATOM 1755 CB VAL A 108 3.378 11.951 12.352 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.536 11.816 13.859 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.734 12.101 11.675 1.00 0.00 C ATOM 0 H VAL A 108 3.078 11.575 9.910 1.00 0.00 H new ATOM 0 HA VAL A 108 3.113 9.816 12.069 1.00 0.00 H new ATOM 0 HB VAL A 108 2.798 12.852 12.150 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.077 12.679 14.247 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.552 11.766 14.325 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.092 10.906 14.087 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.257 12.960 12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.325 11.200 11.841 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.592 12.250 10.605 1.00 0.00 H new ATOM 1767 N GLY A 109 0.192 10.916 11.506 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.182 10.913 11.968 1.00 0.00 C ATOM 1769 C GLY A 109 -2.036 9.950 11.174 1.00 0.00 C ATOM 1770 O GLY A 109 -3.105 10.304 10.679 1.00 0.00 O ATOM 0 H GLY A 109 0.307 11.068 10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.211 10.640 13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.596 11.918 11.887 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.542 8.728 11.054 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.228 7.675 10.317 1.00 0.00 C ATOM 1776 C LEU A 110 -3.586 7.372 10.947 1.00 0.00 C ATOM 1777 O LEU A 110 -3.677 7.102 12.145 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.352 6.422 10.328 1.00 0.00 C ATOM 1779 CG LEU A 110 -1.494 5.477 9.135 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.556 6.248 7.823 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -0.333 4.495 9.127 1.00 0.00 C ATOM 0 H LEU A 110 -0.655 8.437 11.464 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.399 8.002 9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.310 6.735 10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.572 5.860 11.236 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.430 4.928 9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.657 5.548 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.414 6.921 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.642 6.828 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.433 3.820 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.606 5.043 9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.339 3.917 10.051 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.645 7.445 10.140 1.00 0.00 N ATOM 1794 CA ASN A 111 -5.997 7.207 10.634 1.00 0.00 C ATOM 1795 C ASN A 111 -6.710 6.092 9.878 1.00 0.00 C ATOM 1796 O ASN A 111 -7.045 6.238 8.703 1.00 0.00 O ATOM 1797 CB ASN A 111 -6.812 8.495 10.537 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.192 9.047 11.897 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.292 8.305 12.875 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.407 10.355 11.966 1.00 0.00 N ATOM 0 H ASN A 111 -4.591 7.666 9.146 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.911 6.889 11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.237 9.244 9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.717 8.306 9.960 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.666 10.783 12.855 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.313 10.932 11.130 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.969 4.990 10.577 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.679 3.866 9.987 1.00 0.00 C ATOM 1809 C ALA A 112 -9.158 4.207 9.815 1.00 0.00 C ATOM 1810 O ALA A 112 -9.834 3.685 8.931 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.516 2.613 10.839 1.00 0.00 C ATOM 0 H ALA A 112 -6.697 4.854 11.551 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.249 3.666 9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.056 1.786 10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.459 2.359 10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.917 2.796 11.836 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.656 5.093 10.672 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.056 5.508 10.615 1.00 0.00 C ATOM 1819 C ASP A 113 -11.376 6.114 9.253 1.00 0.00 C ATOM 1820 O ASP A 113 -12.504 6.017 8.769 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.397 6.517 11.727 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.218 6.878 12.614 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.771 6.008 13.391 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -9.743 8.030 12.529 1.00 0.00 O ATOM 0 H ASP A 113 -9.114 5.537 11.413 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.666 4.618 10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.788 7.427 11.271 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.193 6.104 12.347 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.377 6.743 8.641 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.553 7.367 7.337 1.00 0.00 C ATOM 1831 C ASP A 114 -10.073 6.459 6.206 1.00 0.00 C ATOM 1832 O ASP A 114 -10.191 6.810 5.033 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.813 8.702 7.282 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.757 9.885 7.183 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.741 9.922 7.950 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.511 10.771 6.340 1.00 0.00 O ATOM 0 H ASP A 114 -9.438 6.833 9.029 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.620 7.540 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.195 8.808 8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.140 8.706 6.425 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.530 5.292 6.552 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.039 4.362 5.541 1.00 0.00 C ATOM 1843 C PHE A 115 -9.846 3.062 5.547 1.00 0.00 C ATOM 1844 O PHE A 115 -10.544 2.758 6.515 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.527 4.123 5.736 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.118 2.795 6.315 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.832 2.202 7.341 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.983 2.157 5.842 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.423 1.002 7.883 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.575 0.957 6.374 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.293 0.382 7.397 1.00 0.00 C ATOM 0 H PHE A 115 -9.421 4.972 7.514 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.178 4.802 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.038 4.237 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.140 4.910 6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.720 2.685 7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.411 2.608 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.987 0.550 8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.693 0.467 5.990 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.970 -0.558 7.820 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.777 2.284 4.452 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.517 1.023 4.327 1.00 0.00 C ATOM 1863 C PRO A 116 -10.195 0.041 5.451 1.00 0.00 C ATOM 1864 O PRO A 116 -9.030 -0.157 5.799 1.00 0.00 O ATOM 1865 CB PRO A 116 -10.060 0.459 2.973 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.826 1.218 2.624 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.985 2.573 3.247 1.00 0.00 C ATOM 0 HA PRO A 116 -11.593 1.183 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.858 -0.610 3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.830 0.590 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.937 0.715 3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.709 1.297 1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.022 3.021 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.499 3.267 2.582 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.228 -0.597 6.035 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.044 -1.566 7.121 1.00 0.00 C ATOM 1877 C PRO A 117 -10.376 -2.851 6.645 1.00 0.00 C ATOM 1878 O PRO A 117 -9.891 -3.645 7.451 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.472 -1.849 7.595 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.327 -1.556 6.411 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.650 -0.429 5.683 1.00 0.00 C ATOM 0 HA PRO A 117 -10.391 -1.179 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.584 -2.884 7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.740 -1.219 8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.422 -2.433 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.335 -1.274 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.807 -0.495 4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.031 0.541 6.002 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.353 -3.053 5.330 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.742 -4.244 4.752 1.00 0.00 C ATOM 1891 C ALA A 118 -8.251 -4.301 5.053 1.00 0.00 C ATOM 1892 O ALA A 118 -7.634 -5.364 4.981 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.982 -4.283 3.250 1.00 0.00 C ATOM 0 H ALA A 118 -10.750 -2.408 4.647 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.209 -5.117 5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.521 -5.177 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.054 -4.301 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.544 -3.398 2.788 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.676 -3.153 5.386 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.256 -3.069 5.695 1.00 0.00 C ATOM 1901 C ASN A 119 -6.034 -2.634 7.144 1.00 0.00 C ATOM 1902 O ASN A 119 -4.905 -2.356 7.550 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.594 -2.072 4.743 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.640 -2.743 3.775 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.626 -3.312 4.177 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -4.963 -2.679 2.487 1.00 0.00 N ATOM 0 H ASN A 119 -8.174 -2.265 5.449 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.810 -4.055 5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.364 -1.543 4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.053 -1.325 5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.360 -3.112 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.814 -2.197 2.198 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.119 -2.574 7.918 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.051 -2.162 9.318 1.00 0.00 C ATOM 1915 C GLU A 120 -6.153 -3.075 10.157 1.00 0.00 C ATOM 1916 O GLU A 120 -5.483 -2.606 11.064 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.453 -2.108 9.928 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.747 -0.806 10.655 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.977 -0.099 10.121 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -11.049 -0.738 10.059 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.869 1.093 9.765 1.00 0.00 O ATOM 0 H GLU A 120 -8.058 -2.807 7.596 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.607 -1.167 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.190 -2.248 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.570 -2.938 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.884 -1.011 11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -7.886 -0.144 10.567 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.130 -4.390 9.896 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.310 -5.328 10.673 1.00 0.00 C ATOM 1930 C PRO A 121 -3.883 -4.843 10.940 1.00 0.00 C ATOM 1931 O PRO A 121 -3.388 -4.950 12.063 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.272 -6.556 9.779 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.585 -6.541 9.080 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.912 -5.089 8.851 1.00 0.00 C ATOM 0 HA PRO A 121 -5.730 -5.483 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.444 -6.508 9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.141 -7.468 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.531 -7.083 8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.354 -7.025 9.682 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.624 -4.766 7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.980 -4.897 8.953 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.218 -4.324 9.911 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.844 -3.844 10.055 1.00 0.00 C ATOM 1944 C VAL A 122 -1.805 -2.466 10.702 1.00 0.00 C ATOM 1945 O VAL A 122 -1.128 -2.253 11.708 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.117 -3.764 8.690 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.310 -4.273 8.813 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.869 -4.527 7.606 1.00 0.00 C ATOM 0 H VAL A 122 -3.605 -4.225 8.972 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.334 -4.566 10.693 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.089 -2.716 8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.804 -4.209 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.852 -3.665 9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.299 -5.311 9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.328 -4.448 6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.951 -5.576 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.867 -4.104 7.489 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.545 -1.536 10.111 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.628 -0.166 10.596 1.00 0.00 C ATOM 1960 C ILE A 123 -3.219 -0.115 11.996 1.00 0.00 C ATOM 1961 O ILE A 123 -2.933 0.785 12.766 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.476 0.696 9.639 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.771 0.811 8.281 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.743 2.070 10.240 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.167 2.173 8.010 1.00 0.00 C ATOM 0 H ILE A 123 -3.107 -1.713 9.278 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.615 0.235 10.634 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.441 0.212 9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.983 0.059 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.486 0.579 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.343 2.660 9.547 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.282 1.957 11.181 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.796 2.577 10.423 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.688 2.170 7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.952 2.929 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.426 2.401 8.776 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.026 -1.107 12.309 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.650 -1.196 13.621 1.00 0.00 C ATOM 1979 C ALA A 124 -3.574 -1.125 14.699 1.00 0.00 C ATOM 1980 O ALA A 124 -3.700 -0.392 15.680 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.455 -2.480 13.750 1.00 0.00 C ATOM 0 H ALA A 124 -4.268 -1.867 11.674 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.337 -0.359 13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.912 -2.525 14.738 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.235 -2.499 12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.796 -3.338 13.616 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.535 -1.928 14.516 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.444 -2.001 15.479 1.00 0.00 C ATOM 1989 C LYS A 125 -0.844 -0.625 15.750 1.00 0.00 C ATOM 1990 O LYS A 125 -0.727 -0.210 16.903 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.356 -2.952 14.977 1.00 0.00 C ATOM 1992 CG LYS A 125 0.556 -3.470 16.078 1.00 0.00 C ATOM 1993 CD LYS A 125 1.828 -4.080 15.509 1.00 0.00 C ATOM 1994 CE LYS A 125 1.812 -5.596 15.607 1.00 0.00 C ATOM 1995 NZ LYS A 125 0.694 -6.192 14.825 1.00 0.00 N ATOM 0 H LYS A 125 -2.424 -2.540 13.707 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.854 -2.382 16.414 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.827 -3.799 14.479 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.247 -2.438 14.229 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.813 -2.653 16.753 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.026 -4.217 16.669 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.940 -3.783 14.466 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.692 -3.689 16.046 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.760 -5.993 15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.721 -5.891 16.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.778 -7.229 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.214 -5.914 15.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.736 -5.850 13.844 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.453 0.071 14.693 1.00 0.00 N ATOM 2010 CA LEU A 126 0.152 1.398 14.827 1.00 0.00 C ATOM 2011 C LEU A 126 -0.902 2.473 15.070 1.00 0.00 C ATOM 2012 O LEU A 126 -0.737 3.336 15.927 1.00 0.00 O ATOM 2013 CB LEU A 126 0.961 1.737 13.571 1.00 0.00 C ATOM 2014 CG LEU A 126 2.476 1.595 13.721 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.016 2.633 14.692 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.835 0.191 14.185 1.00 0.00 C ATOM 0 H LEU A 126 -0.542 -0.256 13.731 1.00 0.00 H new ATOM 0 HA LEU A 126 0.815 1.375 15.692 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.629 1.091 12.758 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.735 2.762 13.277 1.00 0.00 H new ATOM 0 HG LEU A 126 2.936 1.764 12.748 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.096 2.516 14.786 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.790 3.632 14.319 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.550 2.496 15.668 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.917 0.107 14.287 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.364 -0.006 15.148 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.482 -0.535 13.453 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.957 2.436 14.268 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.029 3.425 14.344 1.00 0.00 C ATOM 2030 C LYS A 127 -3.509 3.591 15.771 1.00 0.00 C ATOM 2031 O LYS A 127 -3.817 4.699 16.209 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.203 3.005 13.471 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.490 3.772 13.743 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.671 2.834 13.935 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.986 3.596 13.980 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.216 4.230 15.307 1.00 0.00 N ATOM 0 H LYS A 127 -2.096 1.725 13.550 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.630 4.375 13.988 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.929 3.138 12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.389 1.941 13.619 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.366 4.388 14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.693 4.449 12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.697 2.109 13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.543 2.271 14.860 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.987 4.364 13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.808 2.916 13.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.821 5.068 15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.683 3.550 15.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.304 4.516 15.718 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.550 2.491 16.501 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.968 2.539 17.891 1.00 0.00 C ATOM 2052 C ARG A 128 -2.978 3.388 18.686 1.00 0.00 C ATOM 2053 O ARG A 128 -3.231 3.747 19.837 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.049 1.127 18.470 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.602 1.075 19.887 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.806 0.123 20.768 1.00 0.00 C ATOM 2057 NE ARG A 128 -4.648 -0.927 21.337 1.00 0.00 N ATOM 2058 CZ ARG A 128 -4.323 -1.638 22.415 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -3.174 -1.418 23.043 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -5.148 -2.572 22.867 1.00 0.00 N ATOM 0 H ARG A 128 -3.302 1.562 16.160 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.959 2.989 17.956 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.676 0.514 17.822 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.053 0.683 18.462 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.583 2.074 20.322 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.645 0.759 19.859 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.006 -0.331 20.182 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.332 0.684 21.573 1.00 0.00 H new ATOM 0 HE ARG A 128 -5.538 -1.127 20.881 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.535 -0.701 22.700 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.931 -1.966 23.868 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -6.032 -2.746 22.389 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.899 -3.116 23.693 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.851 3.714 18.046 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.808 4.533 18.664 1.00 0.00 C ATOM 2076 C LEU A 129 -0.567 4.127 20.117 1.00 0.00 C ATOM 2077 O LEU A 129 0.260 4.721 20.809 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.182 6.018 18.590 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.780 6.479 17.252 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.187 7.019 17.453 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.896 7.536 16.596 1.00 0.00 C ATOM 0 H LEU A 129 -1.638 3.420 17.093 1.00 0.00 H new ATOM 0 HA LEU A 129 0.115 4.368 18.109 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.898 6.235 19.383 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.290 6.611 18.794 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.830 5.615 16.589 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.594 7.341 16.494 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.820 6.237 17.872 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.157 7.867 18.137 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.341 7.846 15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.809 8.399 17.257 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.094 7.119 16.412 1.00 0.00 H new