USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 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 Single : A 8 THR OG1 : rot 143:sc= -2.65! USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00188 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 15 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 17 MET CE :methyl 163:sc= -0.582 (180deg=-1.34) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.052) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.103) USER MOD Single : A 56 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.27! C(o=-3.3!,f=-9.8!) USER MOD Single : A 77 MET CE :methyl 173:sc= 0 (180deg=-0.0965) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -91:sc= 0.331 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot -20:sc= 0.305 USER MOD Single : B 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -8.037 4.136 -11.310 1.00 0.00 N ATOM 72 CA GLU A 5 -9.094 4.071 -10.307 1.00 0.00 C ATOM 73 C GLU A 5 -8.503 3.895 -8.913 1.00 0.00 C ATOM 74 O GLU A 5 -8.152 2.785 -8.507 1.00 0.00 O ATOM 75 CB GLU A 5 -10.061 2.928 -10.621 1.00 0.00 C ATOM 76 CG GLU A 5 -11.340 2.970 -9.798 1.00 0.00 C ATOM 77 CD GLU A 5 -12.287 1.832 -10.124 1.00 0.00 C ATOM 78 OE1 GLU A 5 -11.943 0.667 -9.829 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.376 2.104 -10.672 1.00 0.00 O ATOM 0 HA GLU A 5 -9.646 5.011 -10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.319 2.961 -11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.557 1.978 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.086 2.933 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.847 3.919 -9.971 1.00 0.00 H new ATOM 86 N ILE A 6 -8.392 5.004 -8.190 1.00 0.00 N ATOM 87 CA ILE A 6 -7.841 4.993 -6.840 1.00 0.00 C ATOM 88 C ILE A 6 -8.950 4.918 -5.791 1.00 0.00 C ATOM 89 O ILE A 6 -9.899 5.703 -5.821 1.00 0.00 O ATOM 90 CB ILE A 6 -6.985 6.250 -6.579 1.00 0.00 C ATOM 91 CG1 ILE A 6 -5.899 6.399 -7.651 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.368 6.198 -5.188 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.990 5.195 -7.776 1.00 0.00 C ATOM 0 H ILE A 6 -8.678 5.926 -8.519 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.212 4.107 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.635 7.124 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.376 6.583 -8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.294 7.276 -7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.768 7.093 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.160 6.148 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.734 5.315 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.249 5.378 -8.554 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.484 5.021 -6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.582 4.318 -8.037 1.00 0.00 H new ATOM 105 N ILE A 7 -8.817 3.967 -4.865 1.00 0.00 N ATOM 106 CA ILE A 7 -9.802 3.782 -3.799 1.00 0.00 C ATOM 107 C ILE A 7 -9.130 3.340 -2.498 1.00 0.00 C ATOM 108 O ILE A 7 -8.195 2.539 -2.515 1.00 0.00 O ATOM 109 CB ILE A 7 -10.870 2.733 -4.186 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.210 1.390 -4.516 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.706 3.222 -5.363 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.705 0.244 -3.661 1.00 0.00 C ATOM 0 H ILE A 7 -8.036 3.312 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.286 4.747 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.533 2.591 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.391 1.154 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.131 1.485 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.451 2.468 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.208 4.151 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.058 3.397 -6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.194 -0.674 -3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.500 0.458 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.779 0.122 -3.803 1.00 0.00 H new ATOM 124 N THR A 8 -9.618 3.856 -1.370 1.00 0.00 N ATOM 125 CA THR A 8 -9.063 3.498 -0.065 1.00 0.00 C ATOM 126 C THR A 8 -10.065 2.684 0.752 1.00 0.00 C ATOM 127 O THR A 8 -11.279 2.848 0.608 1.00 0.00 O ATOM 128 CB THR A 8 -8.642 4.754 0.707 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.020 4.406 1.934 1.00 0.00 O ATOM 130 CG2 THR A 8 -9.792 5.690 1.021 1.00 0.00 C ATOM 0 H THR A 8 -10.392 4.519 -1.333 1.00 0.00 H new ATOM 0 HA THR A 8 -8.180 2.882 -0.234 1.00 0.00 H new ATOM 0 HB THR A 8 -7.949 5.274 0.045 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.287 5.030 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.418 6.555 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.256 6.021 0.092 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.530 5.168 1.629 1.00 0.00 H new ATOM 138 N VAL A 9 -9.546 1.803 1.606 1.00 0.00 N ATOM 139 CA VAL A 9 -10.388 0.955 2.447 1.00 0.00 C ATOM 140 C VAL A 9 -10.216 1.298 3.925 1.00 0.00 C ATOM 141 O VAL A 9 -9.122 1.173 4.476 1.00 0.00 O ATOM 142 CB VAL A 9 -10.077 -0.543 2.235 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.625 -1.017 0.898 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.577 -0.808 2.332 1.00 0.00 C ATOM 0 H VAL A 9 -8.544 1.658 1.734 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.420 1.146 2.151 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.568 -1.108 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.397 -2.075 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.705 -0.873 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.166 -0.443 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.384 -1.870 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.055 -0.231 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.218 -0.513 3.318 1.00 0.00 H new ATOM 154 N THR A 10 -11.305 1.729 4.558 1.00 0.00 N ATOM 155 CA THR A 10 -11.280 2.087 5.973 1.00 0.00 C ATOM 156 C THR A 10 -11.706 0.897 6.833 1.00 0.00 C ATOM 157 O THR A 10 -12.896 0.598 6.947 1.00 0.00 O ATOM 158 CB THR A 10 -12.198 3.285 6.236 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.998 4.297 5.263 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.992 3.911 7.599 1.00 0.00 C ATOM 0 H THR A 10 -12.216 1.839 4.112 1.00 0.00 H new ATOM 0 HA THR A 10 -10.260 2.362 6.241 1.00 0.00 H new ATOM 0 HB THR A 10 -13.211 2.886 6.187 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.595 5.052 5.449 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.673 4.753 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.190 3.170 8.373 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.963 4.261 7.687 1.00 0.00 H new ATOM 168 N LEU A 11 -10.724 0.215 7.424 1.00 0.00 N ATOM 169 CA LEU A 11 -10.993 -0.953 8.264 1.00 0.00 C ATOM 170 C LEU A 11 -10.247 -0.858 9.596 1.00 0.00 C ATOM 171 O LEU A 11 -9.307 -0.074 9.736 1.00 0.00 O ATOM 172 CB LEU A 11 -10.589 -2.236 7.529 1.00 0.00 C ATOM 173 CG LEU A 11 -10.975 -2.285 6.047 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.198 -3.375 5.323 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.474 -2.501 5.894 1.00 0.00 C ATOM 0 H LEU A 11 -9.736 0.451 7.337 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.062 -0.979 8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.509 -2.359 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.046 -3.086 8.036 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.717 -1.328 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.488 -3.392 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.130 -3.174 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.419 -4.341 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.731 -2.533 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.756 -3.443 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.010 -1.682 6.373 1.00 0.00 H new ATOM 187 N LYS A 12 -10.672 -1.663 10.571 1.00 0.00 N ATOM 188 CA LYS A 12 -10.041 -1.672 11.890 1.00 0.00 C ATOM 189 C LYS A 12 -8.935 -2.725 11.959 1.00 0.00 C ATOM 190 O LYS A 12 -9.143 -3.884 11.596 1.00 0.00 O ATOM 191 CB LYS A 12 -11.085 -1.935 12.981 1.00 0.00 C ATOM 192 CG LYS A 12 -12.040 -0.771 13.206 1.00 0.00 C ATOM 193 CD LYS A 12 -12.094 -0.359 14.672 1.00 0.00 C ATOM 194 CE LYS A 12 -12.659 1.045 14.839 1.00 0.00 C ATOM 195 NZ LYS A 12 -13.520 1.165 16.052 1.00 0.00 N ATOM 0 H LYS A 12 -11.449 -2.316 10.472 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.594 -0.692 12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.662 -2.821 12.714 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.572 -2.159 13.916 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.726 0.079 12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.039 -1.050 12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.709 -1.068 15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.092 -0.402 15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.839 1.760 14.906 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.240 1.309 13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.883 2.137 16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.318 0.502 15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.960 0.939 16.899 1.00 0.00 H new ATOM 209 N LYS A 13 -7.758 -2.310 12.426 1.00 0.00 N ATOM 210 CA LYS A 13 -6.610 -3.208 12.545 1.00 0.00 C ATOM 211 C LYS A 13 -6.673 -4.016 13.840 1.00 0.00 C ATOM 212 O LYS A 13 -7.026 -3.486 14.895 1.00 0.00 O ATOM 213 CB LYS A 13 -5.309 -2.403 12.500 1.00 0.00 C ATOM 214 CG LYS A 13 -4.063 -3.258 12.335 1.00 0.00 C ATOM 215 CD LYS A 13 -3.000 -2.545 11.512 1.00 0.00 C ATOM 216 CE LYS A 13 -2.414 -1.358 12.263 1.00 0.00 C ATOM 217 NZ LYS A 13 -1.125 -1.698 12.931 1.00 0.00 N ATOM 0 H LYS A 13 -7.574 -1.354 12.729 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.637 -3.904 11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.362 -1.691 11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.220 -1.822 13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.659 -3.506 13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.328 -4.199 11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.204 -3.245 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.434 -2.204 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.255 -0.533 11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.129 -1.013 13.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.761 -0.861 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.280 -2.468 13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.433 -2.002 12.216 1.00 0.00 H new ATOM 231 N GLN A 14 -6.317 -5.299 13.754 1.00 0.00 N ATOM 232 CA GLN A 14 -6.323 -6.179 14.924 1.00 0.00 C ATOM 233 C GLN A 14 -4.943 -6.207 15.580 1.00 0.00 C ATOM 234 O GLN A 14 -4.799 -5.878 16.758 1.00 0.00 O ATOM 235 CB GLN A 14 -6.755 -7.604 14.542 1.00 0.00 C ATOM 236 CG GLN A 14 -7.835 -7.661 13.469 1.00 0.00 C ATOM 237 CD GLN A 14 -9.123 -6.971 13.889 1.00 0.00 C ATOM 238 OE1 GLN A 14 -9.391 -6.796 15.078 1.00 0.00 O ATOM 239 NE2 GLN A 14 -9.931 -6.575 12.910 1.00 0.00 N ATOM 0 H GLN A 14 -6.022 -5.751 12.889 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.045 -5.782 15.637 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.882 -8.155 14.193 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.118 -8.114 15.435 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.460 -7.195 12.558 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.048 -8.703 13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.672 -6.739 11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.810 -6.107 13.132 1.00 0.00 H new ATOM 248 N ASN A 15 -3.930 -6.595 14.803 1.00 0.00 N ATOM 249 CA ASN A 15 -2.553 -6.661 15.293 1.00 0.00 C ATOM 250 C ASN A 15 -1.561 -6.620 14.128 1.00 0.00 C ATOM 251 O ASN A 15 -0.537 -7.308 14.141 1.00 0.00 O ATOM 252 CB ASN A 15 -2.340 -7.929 16.127 1.00 0.00 C ATOM 253 CG ASN A 15 -1.343 -7.717 17.250 1.00 0.00 C ATOM 254 OD1 ASN A 15 -0.284 -8.344 17.283 1.00 0.00 O ATOM 255 ND2 ASN A 15 -1.677 -6.827 18.179 1.00 0.00 N ATOM 0 H ASN A 15 -4.039 -6.870 13.827 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.376 -5.793 15.927 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.294 -8.250 16.546 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.989 -8.733 15.480 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.045 -6.641 18.958 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.565 -6.330 18.113 1.00 0.00 H new ATOM 262 N GLY A 16 -1.880 -5.811 13.117 1.00 0.00 N ATOM 263 CA GLY A 16 -1.026 -5.690 11.949 1.00 0.00 C ATOM 264 C GLY A 16 -1.810 -5.817 10.656 1.00 0.00 C ATOM 265 O GLY A 16 -3.042 -5.773 10.667 1.00 0.00 O ATOM 0 H GLY A 16 -2.721 -5.235 13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.516 -4.727 11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.255 -6.460 11.982 1.00 0.00 H new ATOM 269 N MET A 17 -1.101 -5.968 9.539 1.00 0.00 N ATOM 270 CA MET A 17 -1.747 -6.095 8.233 1.00 0.00 C ATOM 271 C MET A 17 -1.478 -7.467 7.608 1.00 0.00 C ATOM 272 O MET A 17 -2.385 -8.089 7.054 1.00 0.00 O ATOM 273 CB MET A 17 -1.273 -4.980 7.292 1.00 0.00 C ATOM 274 CG MET A 17 -1.522 -3.579 7.835 1.00 0.00 C ATOM 275 SD MET A 17 -2.078 -2.428 6.563 1.00 0.00 S ATOM 276 CE MET A 17 -0.546 -2.122 5.685 1.00 0.00 C ATOM 0 H MET A 17 -0.082 -6.005 9.511 1.00 0.00 H new ATOM 0 HA MET A 17 -2.823 -6.000 8.382 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.207 -5.104 7.104 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.780 -5.085 6.333 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.270 -3.628 8.627 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.605 -3.200 8.286 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.766 -1.684 4.711 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.072 -1.433 6.261 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.011 -3.062 5.548 1.00 0.00 H new ATOM 286 N GLY A 18 -0.233 -7.937 7.706 1.00 0.00 N ATOM 287 CA GLY A 18 0.124 -9.232 7.153 1.00 0.00 C ATOM 288 C GLY A 18 0.079 -9.263 5.635 1.00 0.00 C ATOM 289 O GLY A 18 -0.832 -9.846 5.049 1.00 0.00 O ATOM 0 H GLY A 18 0.534 -7.441 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.127 -9.499 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.555 -9.988 7.546 1.00 0.00 H new ATOM 293 N LEU A 19 1.069 -8.639 4.996 1.00 0.00 N ATOM 294 CA LEU A 19 1.147 -8.606 3.534 1.00 0.00 C ATOM 295 C LEU A 19 2.564 -8.265 3.066 1.00 0.00 C ATOM 296 O LEU A 19 3.455 -8.027 3.883 1.00 0.00 O ATOM 297 CB LEU A 19 0.144 -7.600 2.960 1.00 0.00 C ATOM 298 CG LEU A 19 0.432 -6.138 3.297 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.327 -5.512 2.237 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.865 -5.354 3.440 1.00 0.00 C ATOM 0 H LEU A 19 1.829 -8.149 5.468 1.00 0.00 H new ATOM 0 HA LEU A 19 0.894 -9.600 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.122 -7.710 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.851 -7.853 3.326 1.00 0.00 H new ATOM 0 HG LEU A 19 0.957 -6.102 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.521 -4.471 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.270 -6.056 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.831 -5.560 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.638 -4.315 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.421 -5.397 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.466 -5.788 4.239 1.00 0.00 H new ATOM 312 N SER A 20 2.766 -8.248 1.749 1.00 0.00 N ATOM 313 CA SER A 20 4.075 -7.943 1.177 1.00 0.00 C ATOM 314 C SER A 20 3.973 -6.881 0.083 1.00 0.00 C ATOM 315 O SER A 20 2.949 -6.770 -0.594 1.00 0.00 O ATOM 316 CB SER A 20 4.708 -9.216 0.613 1.00 0.00 C ATOM 317 OG SER A 20 5.010 -10.134 1.650 1.00 0.00 O ATOM 0 H SER A 20 2.040 -8.442 1.059 1.00 0.00 H new ATOM 0 HA SER A 20 4.705 -7.546 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.028 -9.679 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.618 -8.964 0.069 1.00 0.00 H new ATOM 0 HG SER A 20 5.412 -10.941 1.266 1.00 0.00 H new ATOM 323 N ILE A 21 5.046 -6.101 -0.083 1.00 0.00 N ATOM 324 CA ILE A 21 5.078 -5.043 -1.094 1.00 0.00 C ATOM 325 C ILE A 21 6.456 -4.921 -1.745 1.00 0.00 C ATOM 326 O ILE A 21 7.476 -5.245 -1.132 1.00 0.00 O ATOM 327 CB ILE A 21 4.688 -3.673 -0.495 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.486 -3.388 0.782 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.194 -3.625 -0.213 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.838 -2.763 0.519 1.00 0.00 C ATOM 0 H ILE A 21 5.900 -6.183 0.468 1.00 0.00 H new ATOM 0 HA ILE A 21 4.349 -5.326 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 21 4.930 -2.900 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.906 -2.725 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.625 -4.320 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.934 -2.654 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.643 -3.776 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.932 -4.410 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.349 -2.588 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.436 -3.435 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.705 -1.815 -0.002 1.00 0.00 H new ATOM 342 N VAL A 22 6.474 -4.445 -2.992 1.00 0.00 N ATOM 343 CA VAL A 22 7.721 -4.269 -3.736 1.00 0.00 C ATOM 344 C VAL A 22 7.764 -2.902 -4.420 1.00 0.00 C ATOM 345 O VAL A 22 6.780 -2.466 -5.024 1.00 0.00 O ATOM 346 CB VAL A 22 7.911 -5.372 -4.804 1.00 0.00 C ATOM 347 CG1 VAL A 22 9.253 -5.222 -5.512 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.786 -6.757 -4.183 1.00 0.00 C ATOM 0 H VAL A 22 5.637 -4.174 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 22 8.531 -4.339 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 22 7.121 -5.257 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.361 -6.010 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.299 -4.250 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.060 -5.299 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.923 -7.515 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.547 -6.880 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.798 -6.868 -3.737 1.00 0.00 H new ATOM 358 N ALA A 23 8.913 -2.236 -4.321 1.00 0.00 N ATOM 359 CA ALA A 23 9.102 -0.919 -4.924 1.00 0.00 C ATOM 360 C ALA A 23 9.579 -1.038 -6.372 1.00 0.00 C ATOM 361 O ALA A 23 10.475 -1.829 -6.675 1.00 0.00 O ATOM 362 CB ALA A 23 10.094 -0.104 -4.106 1.00 0.00 C ATOM 0 H ALA A 23 9.731 -2.590 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 23 8.140 -0.407 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.227 0.875 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.715 0.019 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.052 -0.623 -4.074 1.00 0.00 H new ATOM 368 N ALA A 24 8.978 -0.244 -7.260 1.00 0.00 N ATOM 369 CA ALA A 24 9.342 -0.256 -8.676 1.00 0.00 C ATOM 370 C ALA A 24 9.248 1.143 -9.287 1.00 0.00 C ATOM 371 O ALA A 24 8.467 1.980 -8.828 1.00 0.00 O ATOM 372 CB ALA A 24 8.457 -1.229 -9.443 1.00 0.00 C ATOM 0 H ALA A 24 8.237 0.415 -7.022 1.00 0.00 H new ATOM 0 HA ALA A 24 10.378 -0.586 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.740 -1.226 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.582 -2.232 -9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.414 -0.926 -9.347 1.00 0.00 H new ATOM 378 N LYS A 25 10.049 1.383 -10.326 1.00 0.00 N ATOM 379 CA LYS A 25 10.064 2.675 -11.012 1.00 0.00 C ATOM 380 C LYS A 25 9.792 2.503 -12.508 1.00 0.00 C ATOM 381 O LYS A 25 9.592 1.385 -12.988 1.00 0.00 O ATOM 382 CB LYS A 25 11.413 3.372 -10.801 1.00 0.00 C ATOM 383 CG LYS A 25 11.288 4.804 -10.306 1.00 0.00 C ATOM 384 CD LYS A 25 12.594 5.304 -9.706 1.00 0.00 C ATOM 385 CE LYS A 25 12.553 6.803 -9.449 1.00 0.00 C ATOM 386 NZ LYS A 25 13.842 7.309 -8.899 1.00 0.00 N ATOM 0 H LYS A 25 10.698 0.697 -10.712 1.00 0.00 H new ATOM 0 HA LYS A 25 9.273 3.293 -10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.000 2.799 -10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.965 3.368 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.995 5.451 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.497 4.864 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.790 4.779 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.418 5.072 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.326 7.324 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.747 7.030 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.772 8.334 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.047 6.830 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.608 7.116 -9.576 1.00 0.00 H new ATOM 400 N GLY A 26 9.791 3.619 -13.240 1.00 0.00 N ATOM 401 CA GLY A 26 9.549 3.579 -14.669 1.00 0.00 C ATOM 402 C GLY A 26 10.149 4.775 -15.370 1.00 0.00 C ATOM 403 O GLY A 26 11.248 5.218 -15.022 1.00 0.00 O ATOM 0 H GLY A 26 9.955 4.552 -12.862 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.971 2.664 -15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.476 3.548 -14.856 1.00 0.00 H new ATOM 407 N ALA A 27 9.429 5.308 -16.346 1.00 0.00 N ATOM 408 CA ALA A 27 9.900 6.472 -17.081 1.00 0.00 C ATOM 409 C ALA A 27 9.058 7.698 -16.747 1.00 0.00 C ATOM 410 O ALA A 27 7.840 7.599 -16.582 1.00 0.00 O ATOM 411 CB ALA A 27 9.890 6.205 -18.580 1.00 0.00 C ATOM 0 H ALA A 27 8.520 4.955 -16.646 1.00 0.00 H new ATOM 0 HA ALA A 27 10.928 6.671 -16.778 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.246 7.089 -19.109 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.542 5.361 -18.804 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.875 5.974 -18.902 1.00 0.00 H new ATOM 417 N GLY A 28 9.718 8.852 -16.631 1.00 0.00 N ATOM 418 CA GLY A 28 9.016 10.079 -16.296 1.00 0.00 C ATOM 419 C GLY A 28 8.344 9.985 -14.941 1.00 0.00 C ATOM 420 O GLY A 28 7.176 10.349 -14.789 1.00 0.00 O ATOM 0 H GLY A 28 10.724 8.956 -16.763 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.718 10.913 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.268 10.291 -17.060 1.00 0.00 H new ATOM 424 N GLN A 29 9.085 9.474 -13.959 1.00 0.00 N ATOM 425 CA GLN A 29 8.564 9.305 -12.612 1.00 0.00 C ATOM 426 C GLN A 29 9.563 9.796 -11.571 1.00 0.00 C ATOM 427 O GLN A 29 10.586 9.151 -11.326 1.00 0.00 O ATOM 428 CB GLN A 29 8.237 7.834 -12.359 1.00 0.00 C ATOM 429 CG GLN A 29 7.326 7.608 -11.163 1.00 0.00 C ATOM 430 CD GLN A 29 6.013 6.952 -11.547 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.943 7.387 -11.122 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.087 5.900 -12.356 1.00 0.00 N ATOM 0 H GLN A 29 10.052 9.170 -14.076 1.00 0.00 H new ATOM 0 HA GLN A 29 7.655 9.901 -12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.764 7.418 -13.249 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.166 7.285 -12.206 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.840 6.984 -10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.123 8.564 -10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.995 5.572 -12.685 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.236 5.420 -12.648 1.00 0.00 H new ATOM 441 N ASP A 30 9.253 10.931 -10.951 1.00 0.00 N ATOM 442 CA ASP A 30 10.114 11.503 -9.920 1.00 0.00 C ATOM 443 C ASP A 30 9.729 10.980 -8.532 1.00 0.00 C ATOM 444 O ASP A 30 10.050 11.598 -7.515 1.00 0.00 O ATOM 445 CB ASP A 30 10.029 13.033 -9.954 1.00 0.00 C ATOM 446 CG ASP A 30 11.199 13.696 -9.256 1.00 0.00 C ATOM 447 OD1 ASP A 30 12.336 13.571 -9.755 1.00 0.00 O ATOM 448 OD2 ASP A 30 10.975 14.341 -8.209 1.00 0.00 O ATOM 0 H ASP A 30 8.411 11.473 -11.145 1.00 0.00 H new ATOM 0 HA ASP A 30 11.141 11.199 -10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.991 13.368 -10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.100 13.352 -9.482 1.00 0.00 H new ATOM 453 N LYS A 31 9.040 9.835 -8.499 1.00 0.00 N ATOM 454 CA LYS A 31 8.606 9.225 -7.246 1.00 0.00 C ATOM 455 C LYS A 31 8.677 7.697 -7.335 1.00 0.00 C ATOM 456 O LYS A 31 9.248 7.148 -8.281 1.00 0.00 O ATOM 457 CB LYS A 31 7.175 9.671 -6.914 1.00 0.00 C ATOM 458 CG LYS A 31 6.947 11.171 -7.052 1.00 0.00 C ATOM 459 CD LYS A 31 7.482 11.935 -5.850 1.00 0.00 C ATOM 460 CE LYS A 31 6.969 13.368 -5.822 1.00 0.00 C ATOM 461 NZ LYS A 31 7.912 14.319 -6.479 1.00 0.00 N ATOM 0 H LYS A 31 8.771 9.312 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 31 9.275 9.553 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.480 9.146 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.939 9.370 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.434 11.531 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.881 11.368 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.187 11.425 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.572 11.939 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.002 13.415 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.809 13.674 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.521 15.282 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.828 14.295 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.046 14.044 -7.473 1.00 0.00 H new ATOM 475 N LEU A 32 8.095 7.014 -6.346 1.00 0.00 N ATOM 476 CA LEU A 32 8.091 5.552 -6.317 1.00 0.00 C ATOM 477 C LEU A 32 6.719 5.018 -5.909 1.00 0.00 C ATOM 478 O LEU A 32 6.013 5.639 -5.111 1.00 0.00 O ATOM 479 CB LEU A 32 9.160 5.034 -5.349 1.00 0.00 C ATOM 480 CG LEU A 32 10.003 3.869 -5.876 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.850 4.309 -7.062 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.882 3.308 -4.768 1.00 0.00 C ATOM 0 H LEU A 32 7.621 7.451 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 32 8.317 5.195 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.826 5.858 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.672 4.721 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 32 9.329 3.082 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.441 3.466 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.200 4.663 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.517 5.114 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.475 2.481 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.547 4.090 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.255 2.951 -3.951 1.00 0.00 H new ATOM 494 N GLY A 33 6.350 3.862 -6.464 1.00 0.00 N ATOM 495 CA GLY A 33 5.066 3.260 -6.150 1.00 0.00 C ATOM 496 C GLY A 33 5.194 2.007 -5.300 1.00 0.00 C ATOM 497 O GLY A 33 5.952 1.097 -5.640 1.00 0.00 O ATOM 0 H GLY A 33 6.919 3.334 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.448 3.988 -5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.549 3.013 -7.077 1.00 0.00 H new ATOM 501 N ILE A 34 4.447 1.959 -4.196 1.00 0.00 N ATOM 502 CA ILE A 34 4.477 0.806 -3.295 1.00 0.00 C ATOM 503 C ILE A 34 3.478 -0.263 -3.744 1.00 0.00 C ATOM 504 O ILE A 34 2.329 -0.284 -3.300 1.00 0.00 O ATOM 505 CB ILE A 34 4.168 1.218 -1.836 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.014 2.430 -1.429 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.412 0.055 -0.882 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.506 2.223 -1.598 1.00 0.00 C ATOM 0 H ILE A 34 3.815 2.704 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 34 5.486 0.395 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 34 3.115 1.494 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.707 3.291 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.807 2.672 -0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.188 0.368 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.768 -0.781 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.455 -0.255 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.036 3.124 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.829 1.384 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.728 2.012 -2.644 1.00 0.00 H new ATOM 520 N TYR A 35 3.928 -1.144 -4.636 1.00 0.00 N ATOM 521 CA TYR A 35 3.086 -2.218 -5.165 1.00 0.00 C ATOM 522 C TYR A 35 2.975 -3.384 -4.180 1.00 0.00 C ATOM 523 O TYR A 35 3.718 -3.452 -3.201 1.00 0.00 O ATOM 524 CB TYR A 35 3.647 -2.712 -6.500 1.00 0.00 C ATOM 525 CG TYR A 35 3.849 -1.609 -7.516 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.771 -1.066 -8.202 1.00 0.00 C ATOM 527 CD2 TYR A 35 5.119 -1.111 -7.788 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.949 -0.061 -9.130 1.00 0.00 C ATOM 529 CE2 TYR A 35 5.304 -0.103 -8.716 1.00 0.00 C ATOM 530 CZ TYR A 35 4.217 0.418 -9.385 1.00 0.00 C ATOM 531 OH TYR A 35 4.398 1.421 -10.312 1.00 0.00 O ATOM 0 H TYR A 35 4.877 -1.135 -5.010 1.00 0.00 H new ATOM 0 HA TYR A 35 2.085 -1.814 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.600 -3.210 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.970 -3.458 -6.916 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.776 -1.437 -8.006 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.973 -1.518 -7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.099 0.349 -9.655 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.296 0.275 -8.916 1.00 0.00 H new ATOM 0 HH TYR A 35 5.351 1.644 -10.371 1.00 0.00 H new ATOM 541 N VAL A 36 2.041 -4.300 -4.452 1.00 0.00 N ATOM 542 CA VAL A 36 1.826 -5.468 -3.591 1.00 0.00 C ATOM 543 C VAL A 36 2.512 -6.714 -4.151 1.00 0.00 C ATOM 544 O VAL A 36 2.431 -6.997 -5.347 1.00 0.00 O ATOM 545 CB VAL A 36 0.321 -5.769 -3.405 1.00 0.00 C ATOM 546 CG1 VAL A 36 0.107 -6.839 -2.343 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.444 -4.504 -3.047 1.00 0.00 C ATOM 0 H VAL A 36 1.422 -4.256 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 36 2.265 -5.220 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.064 -6.146 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.960 -7.032 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.613 -7.757 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.515 -6.495 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.500 -4.741 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.051 -4.092 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.329 -3.771 -3.846 1.00 0.00 H new ATOM 557 N LYS A 37 3.178 -7.457 -3.269 1.00 0.00 N ATOM 558 CA LYS A 37 3.878 -8.680 -3.653 1.00 0.00 C ATOM 559 C LYS A 37 3.058 -9.924 -3.300 1.00 0.00 C ATOM 560 O LYS A 37 3.000 -10.874 -4.082 1.00 0.00 O ATOM 561 CB LYS A 37 5.244 -8.742 -2.960 1.00 0.00 C ATOM 562 CG LYS A 37 6.045 -9.997 -3.280 1.00 0.00 C ATOM 563 CD LYS A 37 6.376 -10.093 -4.763 1.00 0.00 C ATOM 564 CE LYS A 37 5.971 -11.441 -5.343 1.00 0.00 C ATOM 565 NZ LYS A 37 5.376 -11.310 -6.703 1.00 0.00 N ATOM 0 H LYS A 37 3.247 -7.231 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 37 4.019 -8.662 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.827 -7.868 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.096 -8.683 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.968 -9.997 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.478 -10.877 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.864 -9.296 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.446 -9.941 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.844 -12.092 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.252 -11.920 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.115 -12.251 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.528 -10.710 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.070 -10.877 -7.345 1.00 0.00 H new ATOM 579 N SER A 38 2.432 -9.915 -2.118 1.00 0.00 N ATOM 580 CA SER A 38 1.620 -11.046 -1.661 1.00 0.00 C ATOM 581 C SER A 38 0.982 -10.751 -0.303 1.00 0.00 C ATOM 582 O SER A 38 1.678 -10.414 0.654 1.00 0.00 O ATOM 583 CB SER A 38 2.475 -12.315 -1.565 1.00 0.00 C ATOM 584 OG SER A 38 1.694 -13.474 -1.799 1.00 0.00 O ATOM 0 H SER A 38 2.473 -9.136 -1.461 1.00 0.00 H new ATOM 0 HA SER A 38 0.826 -11.203 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.286 -12.267 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.934 -12.375 -0.578 1.00 0.00 H new ATOM 0 HG SER A 38 2.262 -14.270 -1.734 1.00 0.00 H new ATOM 590 N VAL A 39 -0.343 -10.884 -0.223 1.00 0.00 N ATOM 591 CA VAL A 39 -1.064 -10.632 1.026 1.00 0.00 C ATOM 592 C VAL A 39 -1.125 -11.888 1.893 1.00 0.00 C ATOM 593 O VAL A 39 -1.385 -12.986 1.397 1.00 0.00 O ATOM 594 CB VAL A 39 -2.499 -10.119 0.767 1.00 0.00 C ATOM 595 CG1 VAL A 39 -2.466 -8.754 0.096 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.294 -11.112 -0.070 1.00 0.00 C ATOM 0 H VAL A 39 -0.936 -11.163 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.508 -9.858 1.555 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.000 -10.017 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.485 -8.409 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.948 -8.044 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.941 -8.829 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.299 -10.725 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.798 -11.258 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.355 -12.065 0.456 1.00 0.00 H new ATOM 606 N VAL A 40 -0.881 -11.716 3.191 1.00 0.00 N ATOM 607 CA VAL A 40 -0.905 -12.833 4.133 1.00 0.00 C ATOM 608 C VAL A 40 -2.290 -12.991 4.760 1.00 0.00 C ATOM 609 O VAL A 40 -2.858 -12.033 5.288 1.00 0.00 O ATOM 610 CB VAL A 40 0.141 -12.653 5.256 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.262 -13.920 6.089 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.494 -12.258 4.678 1.00 0.00 C ATOM 0 H VAL A 40 -0.664 -10.814 3.614 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.659 -13.730 3.565 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.198 -11.848 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.004 -13.770 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.702 -14.152 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.571 -14.747 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.214 -12.137 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.840 -13.036 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.397 -11.318 4.135 1.00 0.00 H new ATOM 622 N LYS A 41 -2.827 -14.209 4.695 1.00 0.00 N ATOM 623 CA LYS A 41 -4.145 -14.504 5.252 1.00 0.00 C ATOM 624 C LYS A 41 -4.171 -14.285 6.761 1.00 0.00 C ATOM 625 O LYS A 41 -3.161 -14.474 7.444 1.00 0.00 O ATOM 626 CB LYS A 41 -4.543 -15.945 4.936 1.00 0.00 C ATOM 627 CG LYS A 41 -5.278 -16.096 3.615 1.00 0.00 C ATOM 628 CD LYS A 41 -6.783 -15.963 3.796 1.00 0.00 C ATOM 629 CE LYS A 41 -7.538 -17.008 2.987 1.00 0.00 C ATOM 630 NZ LYS A 41 -7.352 -18.382 3.535 1.00 0.00 N ATOM 0 H LYS A 41 -2.367 -15.009 4.261 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.859 -13.821 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.647 -16.565 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.175 -16.323 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.927 -15.340 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.047 -17.068 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.034 -16.068 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.100 -14.966 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.600 -16.762 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.196 -16.981 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.077 -19.014 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.408 -18.734 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.441 -18.358 4.571 1.00 0.00 H new ATOM 644 N GLY A 42 -5.332 -13.885 7.274 1.00 0.00 N ATOM 645 CA GLY A 42 -5.473 -13.641 8.699 1.00 0.00 C ATOM 646 C GLY A 42 -5.406 -12.165 9.047 1.00 0.00 C ATOM 647 O GLY A 42 -6.027 -11.723 10.014 1.00 0.00 O ATOM 0 H GLY A 42 -6.178 -13.725 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.424 -14.049 9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.687 -14.173 9.235 1.00 0.00 H new ATOM 651 N GLY A 43 -4.654 -11.400 8.253 1.00 0.00 N ATOM 652 CA GLY A 43 -4.528 -9.976 8.493 1.00 0.00 C ATOM 653 C GLY A 43 -5.840 -9.235 8.289 1.00 0.00 C ATOM 654 O GLY A 43 -6.694 -9.674 7.516 1.00 0.00 O ATOM 0 H GLY A 43 -4.131 -11.746 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.176 -9.812 9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.773 -9.563 7.824 1.00 0.00 H new ATOM 658 N ALA A 44 -5.999 -8.111 8.991 1.00 0.00 N ATOM 659 CA ALA A 44 -7.214 -7.294 8.900 1.00 0.00 C ATOM 660 C ALA A 44 -7.600 -6.996 7.448 1.00 0.00 C ATOM 661 O ALA A 44 -8.786 -6.952 7.113 1.00 0.00 O ATOM 662 CB ALA A 44 -7.029 -5.994 9.670 1.00 0.00 C ATOM 0 H ALA A 44 -5.297 -7.743 9.633 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.028 -7.868 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.937 -5.395 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.826 -6.217 10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.192 -5.438 9.249 1.00 0.00 H new ATOM 668 N ALA A 45 -6.599 -6.790 6.592 1.00 0.00 N ATOM 669 CA ALA A 45 -6.842 -6.497 5.181 1.00 0.00 C ATOM 670 C ALA A 45 -7.339 -7.733 4.433 1.00 0.00 C ATOM 671 O ALA A 45 -8.279 -7.652 3.641 1.00 0.00 O ATOM 672 CB ALA A 45 -5.578 -5.958 4.524 1.00 0.00 C ATOM 0 H ALA A 45 -5.613 -6.821 6.852 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.621 -5.736 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.776 -5.745 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.268 -5.042 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.784 -6.700 4.600 1.00 0.00 H new ATOM 678 N ASP A 46 -6.701 -8.876 4.687 1.00 0.00 N ATOM 679 CA ASP A 46 -7.080 -10.127 4.032 1.00 0.00 C ATOM 680 C ASP A 46 -8.488 -10.564 4.434 1.00 0.00 C ATOM 681 O ASP A 46 -9.248 -11.062 3.603 1.00 0.00 O ATOM 682 CB ASP A 46 -6.077 -11.236 4.364 1.00 0.00 C ATOM 683 CG ASP A 46 -5.771 -12.113 3.165 1.00 0.00 C ATOM 684 OD1 ASP A 46 -6.681 -12.840 2.713 1.00 0.00 O ATOM 685 OD2 ASP A 46 -4.622 -12.073 2.680 1.00 0.00 O ATOM 0 H ASP A 46 -5.922 -8.961 5.340 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.071 -9.948 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.153 -10.789 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.474 -11.853 5.170 1.00 0.00 H new ATOM 690 N VAL A 47 -8.830 -10.375 5.709 1.00 0.00 N ATOM 691 CA VAL A 47 -10.151 -10.752 6.212 1.00 0.00 C ATOM 692 C VAL A 47 -11.262 -10.042 5.433 1.00 0.00 C ATOM 693 O VAL A 47 -12.299 -10.636 5.140 1.00 0.00 O ATOM 694 CB VAL A 47 -10.307 -10.431 7.717 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.648 -10.930 8.241 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.162 -11.032 8.524 1.00 0.00 C ATOM 0 H VAL A 47 -8.213 -9.965 6.410 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.240 -11.829 6.072 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.274 -9.348 7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.735 -10.693 9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.456 -10.445 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.713 -12.009 8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.295 -10.792 9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.156 -12.114 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.215 -10.620 8.175 1.00 0.00 H new ATOM 706 N ASP A 48 -11.037 -8.771 5.100 1.00 0.00 N ATOM 707 CA ASP A 48 -12.020 -7.989 4.353 1.00 0.00 C ATOM 708 C ASP A 48 -11.987 -8.341 2.868 1.00 0.00 C ATOM 709 O ASP A 48 -13.026 -8.614 2.264 1.00 0.00 O ATOM 710 CB ASP A 48 -11.764 -6.493 4.545 1.00 0.00 C ATOM 711 CG ASP A 48 -12.386 -5.966 5.823 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.587 -5.625 5.802 1.00 0.00 O ATOM 713 OD2 ASP A 48 -11.672 -5.897 6.845 1.00 0.00 O ATOM 0 H ASP A 48 -10.185 -8.263 5.335 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.010 -8.233 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.690 -6.309 4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.167 -5.945 3.694 1.00 0.00 H new ATOM 718 N GLY A 49 -10.787 -8.342 2.286 1.00 0.00 N ATOM 719 CA GLY A 49 -10.639 -8.673 0.879 1.00 0.00 C ATOM 720 C GLY A 49 -10.934 -7.504 -0.044 1.00 0.00 C ATOM 721 O GLY A 49 -11.999 -7.451 -0.661 1.00 0.00 O ATOM 0 H GLY A 49 -9.915 -8.119 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.622 -9.022 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.307 -9.499 0.634 1.00 0.00 H new ATOM 725 N ARG A 50 -9.986 -6.572 -0.150 1.00 0.00 N ATOM 726 CA ARG A 50 -10.151 -5.405 -1.020 1.00 0.00 C ATOM 727 C ARG A 50 -8.855 -5.067 -1.770 1.00 0.00 C ATOM 728 O ARG A 50 -8.667 -3.933 -2.216 1.00 0.00 O ATOM 729 CB ARG A 50 -10.622 -4.193 -0.209 1.00 0.00 C ATOM 730 CG ARG A 50 -12.135 -4.095 -0.084 1.00 0.00 C ATOM 731 CD ARG A 50 -12.774 -3.590 -1.370 1.00 0.00 C ATOM 732 NE ARG A 50 -12.854 -2.127 -1.410 1.00 0.00 N ATOM 733 CZ ARG A 50 -13.784 -1.409 -0.772 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.711 -2.009 -0.030 1.00 0.00 N ATOM 735 NH2 ARG A 50 -13.779 -0.082 -0.870 1.00 0.00 N ATOM 0 H ARG A 50 -9.099 -6.601 0.353 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.910 -5.656 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.186 -4.242 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.245 -3.284 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.544 -5.074 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.390 -3.425 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.197 -3.944 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.775 -4.010 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.156 -1.625 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.716 -3.025 0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.416 -1.453 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.067 0.385 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.487 0.468 -0.384 1.00 0.00 H new ATOM 749 N LEU A 51 -7.970 -6.060 -1.915 1.00 0.00 N ATOM 750 CA LEU A 51 -6.698 -5.874 -2.618 1.00 0.00 C ATOM 751 C LEU A 51 -5.948 -7.201 -2.736 1.00 0.00 C ATOM 752 O LEU A 51 -6.134 -8.103 -1.915 1.00 0.00 O ATOM 753 CB LEU A 51 -5.821 -4.842 -1.897 1.00 0.00 C ATOM 754 CG LEU A 51 -5.409 -5.214 -0.470 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.062 -5.922 -0.466 1.00 0.00 C ATOM 756 CD2 LEU A 51 -5.364 -3.974 0.411 1.00 0.00 C ATOM 0 H LEU A 51 -8.113 -7.003 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.921 -5.504 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.919 -4.681 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.356 -3.893 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.155 -5.898 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.788 -6.177 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.128 -6.832 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.304 -5.264 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.070 -4.256 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.640 -3.266 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.350 -3.510 0.437 1.00 0.00 H new ATOM 768 N ALA A 52 -5.104 -7.314 -3.762 1.00 0.00 N ATOM 769 CA ALA A 52 -4.329 -8.533 -3.989 1.00 0.00 C ATOM 770 C ALA A 52 -2.923 -8.216 -4.496 1.00 0.00 C ATOM 771 O ALA A 52 -2.563 -7.049 -4.668 1.00 0.00 O ATOM 772 CB ALA A 52 -5.053 -9.440 -4.974 1.00 0.00 C ATOM 0 H ALA A 52 -4.940 -6.577 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.230 -9.049 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.466 -10.344 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.030 -9.708 -4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.182 -8.918 -5.922 1.00 0.00 H new ATOM 778 N ALA A 53 -2.133 -9.264 -4.735 1.00 0.00 N ATOM 779 CA ALA A 53 -0.768 -9.098 -5.225 1.00 0.00 C ATOM 780 C ALA A 53 -0.759 -8.501 -6.631 1.00 0.00 C ATOM 781 O ALA A 53 -1.579 -8.866 -7.474 1.00 0.00 O ATOM 782 CB ALA A 53 -0.032 -10.430 -5.213 1.00 0.00 C ATOM 0 H ALA A 53 -2.416 -10.234 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.253 -8.407 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.984 -10.288 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.002 -10.818 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.554 -11.140 -5.854 1.00 0.00 H new ATOM 788 N GLY A 54 0.174 -7.582 -6.874 1.00 0.00 N ATOM 789 CA GLY A 54 0.272 -6.944 -8.177 1.00 0.00 C ATOM 790 C GLY A 54 -0.534 -5.657 -8.267 1.00 0.00 C ATOM 791 O GLY A 54 -0.883 -5.216 -9.362 1.00 0.00 O ATOM 0 H GLY A 54 0.864 -7.268 -6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.318 -6.727 -8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.074 -7.638 -8.943 1.00 0.00 H new ATOM 795 N ASP A 55 -0.823 -5.050 -7.114 1.00 0.00 N ATOM 796 CA ASP A 55 -1.584 -3.804 -7.068 1.00 0.00 C ATOM 797 C ASP A 55 -0.658 -2.617 -6.794 1.00 0.00 C ATOM 798 O ASP A 55 0.539 -2.797 -6.568 1.00 0.00 O ATOM 799 CB ASP A 55 -2.670 -3.885 -5.986 1.00 0.00 C ATOM 800 CG ASP A 55 -4.017 -4.335 -6.529 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.349 -3.977 -7.680 1.00 0.00 O ATOM 802 OD2 ASP A 55 -4.743 -5.042 -5.798 1.00 0.00 O ATOM 0 H ASP A 55 -0.540 -5.403 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.060 -3.656 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.349 -4.577 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.782 -2.907 -5.517 1.00 0.00 H new ATOM 807 N GLN A 56 -1.220 -1.405 -6.816 1.00 0.00 N ATOM 808 CA GLN A 56 -0.444 -0.187 -6.570 1.00 0.00 C ATOM 809 C GLN A 56 -1.060 0.638 -5.438 1.00 0.00 C ATOM 810 O GLN A 56 -2.283 0.724 -5.317 1.00 0.00 O ATOM 811 CB GLN A 56 -0.367 0.659 -7.847 1.00 0.00 C ATOM 812 CG GLN A 56 0.572 1.854 -7.736 1.00 0.00 C ATOM 813 CD GLN A 56 -0.124 3.186 -7.963 1.00 0.00 C ATOM 814 OE1 GLN A 56 -1.214 3.247 -8.536 1.00 0.00 O ATOM 815 NE2 GLN A 56 0.509 4.264 -7.516 1.00 0.00 N ATOM 0 H GLN A 56 -2.210 -1.242 -7.002 1.00 0.00 H new ATOM 0 HA GLN A 56 0.562 -0.483 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.039 0.026 -8.672 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.366 1.016 -8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.032 1.856 -6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.377 1.744 -8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.410 4.169 -7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.095 5.188 -7.641 1.00 0.00 H new ATOM 824 N LEU A 57 -0.202 1.244 -4.615 1.00 0.00 N ATOM 825 CA LEU A 57 -0.658 2.064 -3.492 1.00 0.00 C ATOM 826 C LEU A 57 -0.419 3.552 -3.756 1.00 0.00 C ATOM 827 O LEU A 57 0.342 3.919 -4.653 1.00 0.00 O ATOM 828 CB LEU A 57 0.056 1.642 -2.204 1.00 0.00 C ATOM 829 CG LEU A 57 -0.844 1.532 -0.971 1.00 0.00 C ATOM 830 CD1 LEU A 57 -1.409 0.126 -0.843 1.00 0.00 C ATOM 831 CD2 LEU A 57 -0.077 1.918 0.284 1.00 0.00 C ATOM 0 H LEU A 57 0.812 1.182 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.731 1.907 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.536 0.678 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.848 2.360 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.677 2.224 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.046 0.069 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.996 -0.112 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.591 -0.588 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.732 1.834 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.776 1.252 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.275 2.946 0.194 1.00 0.00 H new ATOM 843 N LEU A 58 -1.079 4.403 -2.967 1.00 0.00 N ATOM 844 CA LEU A 58 -0.944 5.853 -3.112 1.00 0.00 C ATOM 845 C LEU A 58 -0.896 6.547 -1.750 1.00 0.00 C ATOM 846 O LEU A 58 0.041 7.295 -1.461 1.00 0.00 O ATOM 847 CB LEU A 58 -2.109 6.417 -3.936 1.00 0.00 C ATOM 848 CG LEU A 58 -1.729 6.973 -5.311 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.973 7.197 -6.157 1.00 0.00 C ATOM 850 CD2 LEU A 58 -0.942 8.269 -5.168 1.00 0.00 C ATOM 0 H LEU A 58 -1.712 4.112 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.005 6.047 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.850 5.630 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.588 7.210 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.096 6.241 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.684 7.592 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.497 6.251 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.630 7.909 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.682 8.648 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.549 9.008 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.031 8.081 -4.600 1.00 0.00 H new ATOM 862 N SER A 59 -1.917 6.308 -0.923 1.00 0.00 N ATOM 863 CA SER A 59 -1.996 6.924 0.400 1.00 0.00 C ATOM 864 C SER A 59 -2.204 5.881 1.497 1.00 0.00 C ATOM 865 O SER A 59 -2.738 4.797 1.248 1.00 0.00 O ATOM 866 CB SER A 59 -3.130 7.952 0.436 1.00 0.00 C ATOM 867 OG SER A 59 -2.866 9.032 -0.442 1.00 0.00 O ATOM 0 H SER A 59 -2.699 5.693 -1.148 1.00 0.00 H new ATOM 0 HA SER A 59 -1.046 7.424 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.068 7.473 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.253 8.327 1.452 1.00 0.00 H new ATOM 0 HG SER A 59 -3.605 9.674 -0.402 1.00 0.00 H new ATOM 873 N VAL A 60 -1.778 6.222 2.716 1.00 0.00 N ATOM 874 CA VAL A 60 -1.913 5.326 3.862 1.00 0.00 C ATOM 875 C VAL A 60 -2.265 6.104 5.128 1.00 0.00 C ATOM 876 O VAL A 60 -1.422 6.805 5.686 1.00 0.00 O ATOM 877 CB VAL A 60 -0.616 4.530 4.114 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.834 3.476 5.192 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.122 3.891 2.825 1.00 0.00 C ATOM 0 H VAL A 60 -1.336 7.115 2.933 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.718 4.631 3.624 1.00 0.00 H new ATOM 0 HB VAL A 60 0.149 5.222 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.092 2.925 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.136 3.962 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.615 2.786 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.794 3.334 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.883 3.213 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.078 4.668 2.087 1.00 0.00 H new ATOM 889 N ASP A 61 -3.513 5.968 5.580 1.00 0.00 N ATOM 890 CA ASP A 61 -3.980 6.653 6.786 1.00 0.00 C ATOM 891 C ASP A 61 -3.811 8.169 6.657 1.00 0.00 C ATOM 892 O ASP A 61 -3.241 8.821 7.535 1.00 0.00 O ATOM 893 CB ASP A 61 -3.221 6.135 8.014 1.00 0.00 C ATOM 894 CG ASP A 61 -3.843 4.880 8.595 1.00 0.00 C ATOM 895 OD1 ASP A 61 -3.978 3.883 7.852 1.00 0.00 O ATOM 896 OD2 ASP A 61 -4.196 4.894 9.791 1.00 0.00 O ATOM 0 H ASP A 61 -4.220 5.388 5.128 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.042 6.441 6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.187 5.930 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.199 6.912 8.778 1.00 0.00 H new ATOM 901 N GLY A 62 -4.304 8.722 5.549 1.00 0.00 N ATOM 902 CA GLY A 62 -4.193 10.152 5.313 1.00 0.00 C ATOM 903 C GLY A 62 -2.764 10.596 5.033 1.00 0.00 C ATOM 904 O GLY A 62 -2.434 11.772 5.194 1.00 0.00 O ATOM 0 H GLY A 62 -4.779 8.203 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.826 10.426 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.572 10.689 6.183 1.00 0.00 H new ATOM 908 N ARG A 63 -1.915 9.656 4.606 1.00 0.00 N ATOM 909 CA ARG A 63 -0.519 9.957 4.296 1.00 0.00 C ATOM 910 C ARG A 63 -0.256 9.778 2.805 1.00 0.00 C ATOM 911 O ARG A 63 -1.017 9.102 2.112 1.00 0.00 O ATOM 912 CB ARG A 63 0.423 9.051 5.095 1.00 0.00 C ATOM 913 CG ARG A 63 0.193 9.091 6.598 1.00 0.00 C ATOM 914 CD ARG A 63 1.063 8.074 7.322 1.00 0.00 C ATOM 915 NE ARG A 63 1.631 8.617 8.556 1.00 0.00 N ATOM 916 CZ ARG A 63 2.560 9.577 8.593 1.00 0.00 C ATOM 917 NH1 ARG A 63 3.029 10.109 7.466 1.00 0.00 N ATOM 918 NH2 ARG A 63 3.020 10.007 9.764 1.00 0.00 N ATOM 0 H ARG A 63 -2.174 8.679 4.468 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.329 10.994 4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.305 8.025 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.453 9.342 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.410 10.091 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.857 8.891 6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.470 7.190 7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.869 7.752 6.663 1.00 0.00 H new ATOM 0 HE ARG A 63 1.297 8.240 9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.679 9.784 6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.738 10.841 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.664 9.604 10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.729 10.740 9.796 1.00 0.00 H new ATOM 932 N SER A 64 0.826 10.380 2.318 1.00 0.00 N ATOM 933 CA SER A 64 1.186 10.280 0.907 1.00 0.00 C ATOM 934 C SER A 64 2.497 9.521 0.729 1.00 0.00 C ATOM 935 O SER A 64 3.567 10.018 1.088 1.00 0.00 O ATOM 936 CB SER A 64 1.304 11.675 0.284 1.00 0.00 C ATOM 937 OG SER A 64 0.246 12.518 0.708 1.00 0.00 O ATOM 0 H SER A 64 1.467 10.941 2.879 1.00 0.00 H new ATOM 0 HA SER A 64 0.395 9.728 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.260 12.120 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.293 11.593 -0.803 1.00 0.00 H new ATOM 0 HG SER A 64 0.347 13.402 0.297 1.00 0.00 H new ATOM 943 N LEU A 65 2.411 8.319 0.161 1.00 0.00 N ATOM 944 CA LEU A 65 3.597 7.499 -0.077 1.00 0.00 C ATOM 945 C LEU A 65 4.100 7.677 -1.510 1.00 0.00 C ATOM 946 O LEU A 65 4.454 6.704 -2.182 1.00 0.00 O ATOM 947 CB LEU A 65 3.294 6.022 0.197 1.00 0.00 C ATOM 948 CG LEU A 65 3.203 5.635 1.676 1.00 0.00 C ATOM 949 CD1 LEU A 65 3.002 4.136 1.815 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.450 6.081 2.430 1.00 0.00 C ATOM 0 H LEU A 65 1.535 7.893 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 65 4.379 7.828 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.352 5.766 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.069 5.416 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 65 2.344 6.144 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.939 3.874 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.079 3.845 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.843 3.612 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.363 5.795 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.328 5.603 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.552 7.164 2.356 1.00 0.00 H new ATOM 962 N VAL A 66 4.132 8.927 -1.972 1.00 0.00 N ATOM 963 CA VAL A 66 4.593 9.238 -3.318 1.00 0.00 C ATOM 964 C VAL A 66 5.981 9.865 -3.277 1.00 0.00 C ATOM 965 O VAL A 66 6.136 11.057 -2.995 1.00 0.00 O ATOM 966 CB VAL A 66 3.609 10.177 -4.046 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.190 10.662 -5.367 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.285 9.466 -4.269 1.00 0.00 C ATOM 0 H VAL A 66 3.842 9.741 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 66 4.643 8.302 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 66 3.438 11.052 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.475 11.322 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.116 11.205 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.395 9.806 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.595 10.135 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.448 8.576 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.861 9.177 -3.307 1.00 0.00 H new ATOM 978 N GLY A 67 6.986 9.043 -3.552 1.00 0.00 N ATOM 979 CA GLY A 67 8.364 9.505 -3.540 1.00 0.00 C ATOM 980 C GLY A 67 9.118 9.058 -2.298 1.00 0.00 C ATOM 981 O GLY A 67 10.026 9.750 -1.835 1.00 0.00 O ATOM 0 H GLY A 67 6.871 8.057 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.877 9.131 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.379 10.593 -3.598 1.00 0.00 H new ATOM 985 N LEU A 68 8.740 7.897 -1.758 1.00 0.00 N ATOM 986 CA LEU A 68 9.383 7.356 -0.566 1.00 0.00 C ATOM 987 C LEU A 68 9.962 5.971 -0.840 1.00 0.00 C ATOM 988 O LEU A 68 9.534 5.280 -1.767 1.00 0.00 O ATOM 989 CB LEU A 68 8.381 7.279 0.590 1.00 0.00 C ATOM 990 CG LEU A 68 8.038 8.617 1.249 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.015 8.416 2.357 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.294 9.284 1.793 1.00 0.00 C ATOM 0 H LEU A 68 7.990 7.315 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 68 10.198 8.025 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.460 6.828 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.781 6.610 1.352 1.00 0.00 H new ATOM 0 HG LEU A 68 7.604 9.272 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.782 9.377 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.106 7.983 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.423 7.743 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.029 10.234 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.759 8.634 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.994 9.462 0.977 1.00 0.00 H new ATOM 1004 N SER A 69 10.933 5.572 -0.022 1.00 0.00 N ATOM 1005 CA SER A 69 11.570 4.268 -0.166 1.00 0.00 C ATOM 1006 C SER A 69 10.702 3.172 0.446 1.00 0.00 C ATOM 1007 O SER A 69 9.812 3.452 1.252 1.00 0.00 O ATOM 1008 CB SER A 69 12.950 4.274 0.499 1.00 0.00 C ATOM 1009 OG SER A 69 12.845 4.505 1.895 1.00 0.00 O ATOM 0 H SER A 69 11.295 6.135 0.748 1.00 0.00 H new ATOM 0 HA SER A 69 11.689 4.063 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.446 3.320 0.322 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.572 5.046 0.046 1.00 0.00 H new ATOM 0 HG SER A 69 13.740 4.502 2.295 1.00 0.00 H new ATOM 1015 N GLN A 70 10.973 1.924 0.068 1.00 0.00 N ATOM 1016 CA GLN A 70 10.221 0.783 0.589 1.00 0.00 C ATOM 1017 C GLN A 70 10.235 0.777 2.119 1.00 0.00 C ATOM 1018 O GLN A 70 9.244 0.413 2.753 1.00 0.00 O ATOM 1019 CB GLN A 70 10.804 -0.528 0.058 1.00 0.00 C ATOM 1020 CG GLN A 70 9.995 -1.754 0.449 1.00 0.00 C ATOM 1021 CD GLN A 70 9.639 -2.619 -0.740 1.00 0.00 C ATOM 1022 OE1 GLN A 70 8.899 -2.199 -1.627 1.00 0.00 O ATOM 1023 NE2 GLN A 70 10.162 -3.837 -0.760 1.00 0.00 N ATOM 0 H GLN A 70 11.707 1.677 -0.596 1.00 0.00 H new ATOM 0 HA GLN A 70 9.189 0.875 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.866 -0.475 -1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.822 -0.641 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.563 -2.346 1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.080 -1.437 0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.771 -4.143 -0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.955 -4.468 -1.534 1.00 0.00 H new ATOM 1032 N GLU A 71 11.366 1.184 2.700 1.00 0.00 N ATOM 1033 CA GLU A 71 11.515 1.229 4.151 1.00 0.00 C ATOM 1034 C GLU A 71 10.547 2.234 4.772 1.00 0.00 C ATOM 1035 O GLU A 71 9.707 1.867 5.594 1.00 0.00 O ATOM 1036 CB GLU A 71 12.956 1.592 4.527 1.00 0.00 C ATOM 1037 CG GLU A 71 13.604 0.605 5.486 1.00 0.00 C ATOM 1038 CD GLU A 71 14.659 1.246 6.368 1.00 0.00 C ATOM 1039 OE1 GLU A 71 14.355 2.271 7.017 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.791 0.720 6.413 1.00 0.00 O ATOM 0 H GLU A 71 12.192 1.487 2.184 1.00 0.00 H new ATOM 0 HA GLU A 71 11.281 0.239 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.556 1.650 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.966 2.584 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.834 0.158 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.058 -0.205 4.915 1.00 0.00 H new ATOM 1047 N ARG A 72 10.665 3.501 4.371 1.00 0.00 N ATOM 1048 CA ARG A 72 9.794 4.555 4.892 1.00 0.00 C ATOM 1049 C ARG A 72 8.326 4.255 4.590 1.00 0.00 C ATOM 1050 O ARG A 72 7.448 4.543 5.403 1.00 0.00 O ATOM 1051 CB ARG A 72 10.179 5.917 4.303 1.00 0.00 C ATOM 1052 CG ARG A 72 11.613 6.336 4.597 1.00 0.00 C ATOM 1053 CD ARG A 72 11.727 7.057 5.932 1.00 0.00 C ATOM 1054 NE ARG A 72 11.143 8.400 5.888 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.404 9.357 6.784 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.239 9.125 7.791 1.00 0.00 N ATOM 1057 NH2 ARG A 72 10.824 10.548 6.675 1.00 0.00 N ATOM 0 H ARG A 72 11.353 3.821 3.689 1.00 0.00 H new ATOM 0 HA ARG A 72 9.926 4.587 5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.034 5.888 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.502 6.676 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.255 5.455 4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.972 6.987 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.228 6.471 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.777 7.128 6.216 1.00 0.00 H new ATOM 0 HE ARG A 72 10.499 8.618 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.685 8.212 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.434 9.859 8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.179 10.733 5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.024 11.277 7.359 1.00 0.00 H new ATOM 1071 N ALA A 73 8.066 3.676 3.416 1.00 0.00 N ATOM 1072 CA ALA A 73 6.704 3.341 3.009 1.00 0.00 C ATOM 1073 C ALA A 73 6.099 2.265 3.910 1.00 0.00 C ATOM 1074 O ALA A 73 5.096 2.507 4.585 1.00 0.00 O ATOM 1075 CB ALA A 73 6.680 2.889 1.556 1.00 0.00 C ATOM 0 H ALA A 73 8.782 3.430 2.732 1.00 0.00 H new ATOM 0 HA ALA A 73 6.097 4.241 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.658 2.643 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.053 3.691 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.312 2.009 1.438 1.00 0.00 H new ATOM 1081 N ALA A 74 6.714 1.078 3.918 1.00 0.00 N ATOM 1082 CA ALA A 74 6.227 -0.032 4.738 1.00 0.00 C ATOM 1083 C ALA A 74 6.136 0.361 6.211 1.00 0.00 C ATOM 1084 O ALA A 74 5.125 0.105 6.865 1.00 0.00 O ATOM 1085 CB ALA A 74 7.117 -1.258 4.572 1.00 0.00 C ATOM 0 H ALA A 74 7.546 0.863 3.368 1.00 0.00 H new ATOM 0 HA ALA A 74 5.223 -0.280 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.736 -2.071 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.119 -1.568 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.134 -1.014 4.880 1.00 0.00 H new ATOM 1091 N GLU A 75 7.195 0.989 6.726 1.00 0.00 N ATOM 1092 CA GLU A 75 7.223 1.419 8.119 1.00 0.00 C ATOM 1093 C GLU A 75 6.039 2.331 8.433 1.00 0.00 C ATOM 1094 O GLU A 75 5.272 2.059 9.354 1.00 0.00 O ATOM 1095 CB GLU A 75 8.536 2.138 8.438 1.00 0.00 C ATOM 1096 CG GLU A 75 8.958 2.010 9.892 1.00 0.00 C ATOM 1097 CD GLU A 75 9.873 0.825 10.134 1.00 0.00 C ATOM 1098 OE1 GLU A 75 9.413 -0.325 9.968 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.049 1.047 10.491 1.00 0.00 O ATOM 0 H GLU A 75 8.040 1.209 6.199 1.00 0.00 H new ATOM 0 HA GLU A 75 7.150 0.529 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.325 1.736 7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.433 3.194 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.465 2.924 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.070 1.912 10.516 1.00 0.00 H new ATOM 1106 N LEU A 76 5.891 3.407 7.655 1.00 0.00 N ATOM 1107 CA LEU A 76 4.790 4.353 7.852 1.00 0.00 C ATOM 1108 C LEU A 76 3.435 3.638 7.854 1.00 0.00 C ATOM 1109 O LEU A 76 2.512 4.050 8.558 1.00 0.00 O ATOM 1110 CB LEU A 76 4.807 5.432 6.762 1.00 0.00 C ATOM 1111 CG LEU A 76 5.704 6.642 7.051 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.930 7.457 5.784 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.093 7.510 8.142 1.00 0.00 C ATOM 0 H LEU A 76 6.517 3.644 6.886 1.00 0.00 H new ATOM 0 HA LEU A 76 4.930 4.824 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.131 4.975 5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.787 5.785 6.608 1.00 0.00 H new ATOM 0 HG LEU A 76 6.670 6.277 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.569 8.311 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.411 6.833 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.972 7.811 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.743 8.364 8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.114 7.864 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.984 6.924 9.055 1.00 0.00 H new ATOM 1125 N MET A 77 3.320 2.573 7.060 1.00 0.00 N ATOM 1126 CA MET A 77 2.077 1.811 6.970 1.00 0.00 C ATOM 1127 C MET A 77 1.855 0.936 8.204 1.00 0.00 C ATOM 1128 O MET A 77 0.786 0.978 8.811 1.00 0.00 O ATOM 1129 CB MET A 77 2.083 0.942 5.713 1.00 0.00 C ATOM 1130 CG MET A 77 1.937 1.734 4.424 1.00 0.00 C ATOM 1131 SD MET A 77 2.966 1.091 3.092 1.00 0.00 S ATOM 1132 CE MET A 77 2.320 -0.571 2.945 1.00 0.00 C ATOM 0 H MET A 77 4.073 2.219 6.470 1.00 0.00 H new ATOM 0 HA MET A 77 1.257 2.527 6.917 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.013 0.375 5.678 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.271 0.218 5.778 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.893 1.720 4.110 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.200 2.775 4.610 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.767 -1.060 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.561 -1.136 3.846 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.238 -0.531 2.820 1.00 0.00 H new ATOM 1142 N THR A 78 2.860 0.140 8.571 1.00 0.00 N ATOM 1143 CA THR A 78 2.745 -0.740 9.736 1.00 0.00 C ATOM 1144 C THR A 78 2.565 0.068 11.023 1.00 0.00 C ATOM 1145 O THR A 78 1.872 -0.368 11.945 1.00 0.00 O ATOM 1146 CB THR A 78 3.967 -1.664 9.848 1.00 0.00 C ATOM 1147 OG1 THR A 78 3.855 -2.511 10.978 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.289 -0.931 9.954 1.00 0.00 C ATOM 0 H THR A 78 3.755 0.086 8.084 1.00 0.00 H new ATOM 0 HA THR A 78 1.858 -1.358 9.597 1.00 0.00 H new ATOM 0 HB THR A 78 3.970 -2.234 8.919 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.642 -3.092 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.101 -1.654 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.435 -0.313 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.284 -0.298 10.841 1.00 0.00 H new ATOM 1156 N ARG A 79 3.189 1.246 11.078 1.00 0.00 N ATOM 1157 CA ARG A 79 3.098 2.115 12.253 1.00 0.00 C ATOM 1158 C ARG A 79 1.834 2.990 12.222 1.00 0.00 C ATOM 1159 O ARG A 79 1.903 4.198 12.462 1.00 0.00 O ATOM 1160 CB ARG A 79 4.353 2.994 12.365 1.00 0.00 C ATOM 1161 CG ARG A 79 4.516 3.997 11.231 1.00 0.00 C ATOM 1162 CD ARG A 79 4.624 5.421 11.750 1.00 0.00 C ATOM 1163 NE ARG A 79 5.982 5.743 12.184 1.00 0.00 N ATOM 1164 CZ ARG A 79 6.446 6.987 12.322 1.00 0.00 C ATOM 1165 NH1 ARG A 79 5.657 8.030 12.076 1.00 0.00 N ATOM 1166 NH2 ARG A 79 7.701 7.191 12.707 1.00 0.00 N ATOM 0 H ARG A 79 3.763 1.620 10.322 1.00 0.00 H new ATOM 0 HA ARG A 79 3.031 1.473 13.131 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.321 3.534 13.311 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.232 2.350 12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.407 3.752 10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.666 3.921 10.553 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.319 6.116 10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.935 5.556 12.584 1.00 0.00 H new ATOM 0 HE ARG A 79 6.614 4.970 12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.692 7.881 11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.017 8.978 12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.312 6.396 12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.054 8.142 12.812 1.00 0.00 H new ATOM 1180 N THR A 80 0.680 2.378 11.935 1.00 0.00 N ATOM 1181 CA THR A 80 -0.587 3.113 11.887 1.00 0.00 C ATOM 1182 C THR A 80 -1.367 2.958 13.195 1.00 0.00 C ATOM 1183 O THR A 80 -0.921 2.275 14.121 1.00 0.00 O ATOM 1184 CB THR A 80 -1.448 2.640 10.709 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.345 1.237 10.531 1.00 0.00 O ATOM 1186 CG2 THR A 80 -1.082 3.305 9.401 1.00 0.00 C ATOM 0 H THR A 80 0.598 1.381 11.734 1.00 0.00 H new ATOM 0 HA THR A 80 -0.348 4.168 11.749 1.00 0.00 H new ATOM 0 HB THR A 80 -2.469 2.921 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.613 1.039 9.910 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.727 2.927 8.608 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.212 4.383 9.492 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.042 3.084 9.159 1.00 0.00 H new ATOM 1194 N SER A 81 -2.537 3.598 13.262 1.00 0.00 N ATOM 1195 CA SER A 81 -3.389 3.537 14.450 1.00 0.00 C ATOM 1196 C SER A 81 -4.429 2.420 14.315 1.00 0.00 C ATOM 1197 O SER A 81 -4.311 1.557 13.443 1.00 0.00 O ATOM 1198 CB SER A 81 -4.083 4.888 14.669 1.00 0.00 C ATOM 1199 OG SER A 81 -3.164 5.962 14.551 1.00 0.00 O ATOM 0 H SER A 81 -2.916 4.166 12.504 1.00 0.00 H new ATOM 0 HA SER A 81 -2.763 3.317 15.314 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.885 5.010 13.941 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.544 4.907 15.657 1.00 0.00 H new ATOM 0 HG SER A 81 -3.633 6.811 14.693 1.00 0.00 H new ATOM 1205 N SER A 82 -5.449 2.441 15.180 1.00 0.00 N ATOM 1206 CA SER A 82 -6.508 1.430 15.147 1.00 0.00 C ATOM 1207 C SER A 82 -7.162 1.369 13.766 1.00 0.00 C ATOM 1208 O SER A 82 -7.400 0.286 13.231 1.00 0.00 O ATOM 1209 CB SER A 82 -7.570 1.728 16.212 1.00 0.00 C ATOM 1210 OG SER A 82 -8.250 0.546 16.603 1.00 0.00 O ATOM 0 H SER A 82 -5.562 3.145 15.909 1.00 0.00 H new ATOM 0 HA SER A 82 -6.053 0.463 15.360 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.098 2.184 17.082 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.287 2.451 15.822 1.00 0.00 H new ATOM 0 HG SER A 82 -8.920 0.764 17.284 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.446 2.539 13.191 1.00 0.00 N ATOM 1217 CA VAL A 83 -8.066 2.612 11.870 1.00 0.00 C ATOM 1218 C VAL A 83 -7.013 2.510 10.769 1.00 0.00 C ATOM 1219 O VAL A 83 -5.893 2.992 10.925 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.860 3.925 11.683 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.658 3.894 10.385 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.777 4.175 12.872 1.00 0.00 C ATOM 0 H VAL A 83 -7.257 3.445 13.619 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.755 1.771 11.799 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.147 4.747 11.624 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.209 4.828 10.274 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.977 3.772 9.542 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.359 3.060 10.409 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.326 5.104 12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.482 3.349 12.968 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.181 4.251 13.781 1.00 0.00 H new ATOM 1232 N VAL A 84 -7.385 1.883 9.655 1.00 0.00 N ATOM 1233 CA VAL A 84 -6.479 1.726 8.523 1.00 0.00 C ATOM 1234 C VAL A 84 -7.142 2.206 7.237 1.00 0.00 C ATOM 1235 O VAL A 84 -8.246 1.775 6.905 1.00 0.00 O ATOM 1236 CB VAL A 84 -6.032 0.260 8.343 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.952 0.160 7.275 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -5.542 -0.320 9.662 1.00 0.00 C ATOM 0 H VAL A 84 -8.309 1.475 9.514 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.598 2.332 8.735 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.893 -0.324 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.648 -0.881 7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.342 0.530 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.091 0.759 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.232 -1.354 9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.696 0.264 10.024 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.347 -0.286 10.396 1.00 0.00 H new ATOM 1248 N THR A 85 -6.465 3.105 6.526 1.00 0.00 N ATOM 1249 CA THR A 85 -6.990 3.652 5.278 1.00 0.00 C ATOM 1250 C THR A 85 -5.946 3.557 4.162 1.00 0.00 C ATOM 1251 O THR A 85 -5.219 4.515 3.895 1.00 0.00 O ATOM 1252 CB THR A 85 -7.432 5.109 5.482 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.697 5.372 6.851 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.679 5.471 4.702 1.00 0.00 C ATOM 0 H THR A 85 -5.551 3.470 6.793 1.00 0.00 H new ATOM 0 HA THR A 85 -7.857 3.063 4.980 1.00 0.00 H new ATOM 0 HB THR A 85 -6.601 5.712 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.975 6.306 6.957 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.937 6.513 4.891 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.496 5.330 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.503 4.831 5.016 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.873 2.387 3.523 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.911 2.155 2.443 1.00 0.00 C ATOM 1264 C LEU A 86 -5.527 2.439 1.074 1.00 0.00 C ATOM 1265 O LEU A 86 -6.491 1.786 0.670 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.401 0.711 2.487 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.650 0.324 3.762 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.863 -1.148 4.081 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.167 0.638 3.623 1.00 0.00 C ATOM 0 H LEU A 86 -6.468 1.586 3.735 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.077 2.841 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.251 0.039 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.743 0.549 1.633 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.047 0.912 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.321 -1.405 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.926 -1.339 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.494 -1.756 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.648 0.356 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.753 0.077 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.036 1.705 3.445 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.950 3.408 0.359 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.427 3.775 -0.974 1.00 0.00 C ATOM 1283 C GLU A 87 -4.780 2.889 -2.038 1.00 0.00 C ATOM 1284 O GLU A 87 -3.566 2.946 -2.250 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.123 5.251 -1.265 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.349 6.066 -1.655 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.558 7.283 -0.769 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -6.440 7.150 0.469 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -6.841 8.371 -1.314 1.00 0.00 O ATOM 0 H GLU A 87 -4.151 3.953 0.683 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.506 3.626 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.666 5.699 -0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.389 5.309 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.249 6.390 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.233 5.430 -1.604 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.594 2.067 -2.696 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.103 1.161 -3.731 1.00 0.00 C ATOM 1298 C VAL A 88 -5.668 1.522 -5.109 1.00 0.00 C ATOM 1299 O VAL A 88 -6.774 2.055 -5.218 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.460 -0.306 -3.394 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -6.967 -0.517 -3.407 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -4.772 -1.266 -4.355 1.00 0.00 C ATOM 0 H VAL A 88 -6.599 2.010 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.019 1.268 -3.763 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.099 -0.516 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.191 -1.556 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.432 0.135 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.359 -0.280 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.038 -2.291 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.093 -1.052 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.692 -1.142 -4.281 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.898 1.225 -6.157 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.311 1.512 -7.530 1.00 0.00 C ATOM 1314 C ALA A 89 -5.717 0.235 -8.265 1.00 0.00 C ATOM 1315 O ALA A 89 -5.346 -0.870 -7.860 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.190 2.215 -8.282 1.00 0.00 C ATOM 0 H ALA A 89 -3.982 0.784 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.180 2.169 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.511 2.423 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.947 3.152 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.308 1.575 -8.302 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.477 0.395 -9.349 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.933 -0.740 -10.148 1.00 0.00 C ATOM 1324 C LYS A 90 -6.314 -0.703 -11.544 1.00 0.00 C ATOM 1325 O LYS A 90 -6.729 0.085 -12.397 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.461 -0.739 -10.251 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.157 -0.959 -8.918 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.084 -2.416 -8.484 1.00 0.00 C ATOM 1329 CE LYS A 90 -8.915 -2.543 -6.977 1.00 0.00 C ATOM 1330 NZ LYS A 90 -8.031 -3.685 -6.607 1.00 0.00 N ATOM 0 H LYS A 90 -6.790 1.303 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.613 -1.656 -9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.789 0.212 -10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.771 -1.518 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.696 -0.328 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.200 -0.654 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.991 -2.935 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.250 -2.905 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.497 -1.618 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.892 -2.676 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.943 -3.735 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.442 -4.572 -6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.090 -3.546 -7.028 1.00 0.00 H new ATOM 1421 N SER B 101 10.894 -7.458 -1.429 1.00 0.00 N ATOM 1422 CA SER B 101 9.534 -7.733 -0.967 1.00 0.00 C ATOM 1423 C SER B 101 9.456 -7.668 0.558 1.00 0.00 C ATOM 1424 O SER B 101 9.669 -8.669 1.246 1.00 0.00 O ATOM 1425 CB SER B 101 9.059 -9.101 -1.464 1.00 0.00 C ATOM 1426 OG SER B 101 10.077 -10.079 -1.335 1.00 0.00 O ATOM 0 HA SER B 101 8.877 -6.967 -1.380 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.181 -9.411 -0.898 1.00 0.00 H new ATOM 0 HB3 SER B 101 8.755 -9.025 -2.508 1.00 0.00 H new ATOM 0 HG SER B 101 10.949 -9.637 -1.268 1.00 0.00 H new ATOM 1432 N THR B 102 9.149 -6.482 1.079 1.00 0.00 N ATOM 1433 CA THR B 102 9.040 -6.279 2.522 1.00 0.00 C ATOM 1434 C THR B 102 7.680 -6.762 3.035 1.00 0.00 C ATOM 1435 O THR B 102 6.820 -7.162 2.248 1.00 0.00 O ATOM 1436 CB THR B 102 9.270 -4.795 2.858 1.00 0.00 C ATOM 1437 OG1 THR B 102 10.144 -4.659 3.968 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.001 -4.023 3.168 1.00 0.00 C ATOM 0 H THR B 102 8.971 -5.646 0.523 1.00 0.00 H new ATOM 0 HA THR B 102 9.807 -6.869 3.024 1.00 0.00 H new ATOM 0 HB THR B 102 9.706 -4.371 1.953 1.00 0.00 H new ATOM 0 HG1 THR B 102 10.278 -3.708 4.164 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.252 -2.987 3.394 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.335 -4.056 2.305 1.00 0.00 H new ATOM 0 HG23 THR B 102 7.503 -4.472 4.028 1.00 0.00 H new