USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 721 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 66 HIS : no HE2:sc= -2.17 K(o=-5.5,f=-6.3) USER MOD Set 1.2: A 133 HIS : no HE2:sc= -3.33! C(o=-5.5!,f=-6.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0426 (180deg=-0.332) USER MOD Single : A 8 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.8) USER MOD Single : A 9 SER OG : rot 175:sc= -0.421 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.56! K(o=-3.6!,f=0.63) USER MOD Single : A 15 THR OG1 : rot 88:sc= 0.263 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.9) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 155:sc= -0.24 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 78:sc= 1.8 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -2.71! C(o=-2.7!,f=-4.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc=-0.00543 X(o=-0.0054,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.115 K(o=-0.12,f=-2!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 4.146 -3.996 -1.923 1.00 0.00 N ATOM 30 CA PHE A 3 3.837 -5.266 -1.275 1.00 0.00 C ATOM 31 C PHE A 3 5.003 -6.241 -1.405 1.00 0.00 C ATOM 32 O PHE A 3 5.790 -6.164 -2.349 1.00 0.00 O ATOM 33 CB PHE A 3 2.574 -5.879 -1.884 1.00 0.00 C ATOM 34 CG PHE A 3 2.014 -7.018 -1.081 1.00 0.00 C ATOM 35 CD1 PHE A 3 2.460 -8.313 -1.288 1.00 0.00 C ATOM 36 CD2 PHE A 3 1.041 -6.793 -0.121 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.947 -9.364 -0.550 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.524 -7.839 0.620 1.00 0.00 C ATOM 39 CZ PHE A 3 0.977 -9.126 0.404 1.00 0.00 C ATOM 0 HA PHE A 3 3.665 -5.073 -0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.813 -5.104 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.799 -6.231 -2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.217 -8.504 -2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.682 -5.789 0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.304 -10.369 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.233 -7.650 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.573 -9.945 0.980 1.00 0.00 H new ATOM 49 N LYS A 4 5.109 -7.158 -0.450 1.00 0.00 N ATOM 50 CA LYS A 4 6.178 -8.150 -0.455 1.00 0.00 C ATOM 51 C LYS A 4 5.663 -9.507 0.013 1.00 0.00 C ATOM 52 O LYS A 4 4.845 -9.590 0.929 1.00 0.00 O ATOM 53 CB LYS A 4 7.330 -7.693 0.442 1.00 0.00 C ATOM 54 CG LYS A 4 8.434 -6.968 -0.309 1.00 0.00 C ATOM 55 CD LYS A 4 9.294 -7.935 -1.106 1.00 0.00 C ATOM 56 CE LYS A 4 10.431 -8.494 -0.265 1.00 0.00 C ATOM 57 NZ LYS A 4 11.007 -9.731 -0.862 1.00 0.00 N ATOM 0 H LYS A 4 4.467 -7.235 0.339 1.00 0.00 H new ATOM 0 HA LYS A 4 6.540 -8.252 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.937 -7.035 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.754 -8.562 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.995 -6.231 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.059 -6.422 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.676 -8.754 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.702 -7.426 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.213 -7.741 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.067 -8.711 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.779 -10.081 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.267 -10.459 -0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.378 -9.519 -1.810 1.00 0.00 H new ATOM 71 N PHE A 5 6.147 -10.570 -0.622 1.00 0.00 N ATOM 72 CA PHE A 5 5.736 -11.924 -0.269 1.00 0.00 C ATOM 73 C PHE A 5 5.895 -12.168 1.229 1.00 0.00 C ATOM 74 O PHE A 5 6.991 -12.051 1.775 1.00 0.00 O ATOM 75 CB PHE A 5 6.557 -12.949 -1.055 1.00 0.00 C ATOM 76 CG PHE A 5 6.610 -12.671 -2.530 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.529 -12.098 -3.180 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.742 -12.982 -3.266 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.575 -11.842 -4.537 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.794 -12.728 -4.624 1.00 0.00 C ATOM 81 CZ PHE A 5 6.710 -12.157 -5.260 1.00 0.00 C ATOM 0 H PHE A 5 6.824 -10.520 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 5 4.683 -12.037 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.573 -12.968 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.134 -13.941 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.640 -11.849 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.593 -13.428 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.725 -11.396 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.682 -12.976 -5.187 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.749 -11.957 -6.321 1.00 0.00 H new ATOM 91 N GLY A 6 4.791 -12.508 1.887 1.00 0.00 N ATOM 92 CA GLY A 6 4.828 -12.763 3.315 1.00 0.00 C ATOM 93 C GLY A 6 5.693 -13.956 3.669 1.00 0.00 C ATOM 94 O GLY A 6 6.432 -14.468 2.828 1.00 0.00 O ATOM 0 H GLY A 6 3.872 -12.611 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.206 -11.879 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.814 -12.933 3.677 1.00 0.00 H new ATOM 98 N LYS A 7 5.604 -14.400 4.918 1.00 0.00 N ATOM 99 CA LYS A 7 6.385 -15.540 5.383 1.00 0.00 C ATOM 100 C LYS A 7 5.977 -16.814 4.651 1.00 0.00 C ATOM 101 O LYS A 7 6.815 -17.660 4.343 1.00 0.00 O ATOM 102 CB LYS A 7 6.205 -15.726 6.891 1.00 0.00 C ATOM 103 CG LYS A 7 4.762 -15.950 7.309 1.00 0.00 C ATOM 104 CD LYS A 7 4.457 -17.428 7.490 1.00 0.00 C ATOM 105 CE LYS A 7 4.910 -17.928 8.853 1.00 0.00 C ATOM 106 NZ LYS A 7 4.090 -17.353 9.956 1.00 0.00 N ATOM 0 H LYS A 7 4.998 -13.987 5.627 1.00 0.00 H new ATOM 0 HA LYS A 7 7.435 -15.340 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.805 -16.575 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.591 -14.846 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.566 -15.420 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.095 -15.529 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.386 -17.596 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.954 -18.002 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.845 -19.016 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.957 -17.668 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.185 -17.946 10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.420 -16.390 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.092 -17.321 9.666 1.00 0.00 H new ATOM 120 N ASN A 8 4.683 -16.944 4.374 1.00 0.00 N ATOM 121 CA ASN A 8 4.164 -18.115 3.676 1.00 0.00 C ATOM 122 C ASN A 8 4.446 -18.026 2.180 1.00 0.00 C ATOM 123 O ASN A 8 4.886 -18.995 1.561 1.00 0.00 O ATOM 124 CB ASN A 8 2.660 -18.252 3.916 1.00 0.00 C ATOM 125 CG ASN A 8 2.335 -18.640 5.346 1.00 0.00 C ATOM 126 OD1 ASN A 8 1.521 -17.995 6.006 1.00 0.00 O ATOM 127 ND2 ASN A 8 2.973 -19.699 5.831 1.00 0.00 N ATOM 0 H ASN A 8 3.975 -16.253 4.622 1.00 0.00 H new ATOM 0 HA ASN A 8 4.670 -18.996 4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.170 -17.308 3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.254 -19.002 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.796 -20.007 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.640 -20.204 5.247 1.00 0.00 H new ATOM 134 N SER A 9 4.189 -16.856 1.603 1.00 0.00 N ATOM 135 CA SER A 9 4.411 -16.640 0.178 1.00 0.00 C ATOM 136 C SER A 9 5.882 -16.839 -0.178 1.00 0.00 C ATOM 137 O SER A 9 6.210 -17.537 -1.136 1.00 0.00 O ATOM 138 CB SER A 9 3.963 -15.234 -0.222 1.00 0.00 C ATOM 139 OG SER A 9 2.560 -15.087 -0.084 1.00 0.00 O ATOM 0 H SER A 9 3.827 -16.043 2.101 1.00 0.00 H new ATOM 0 HA SER A 9 3.819 -17.372 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.472 -14.496 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.253 -15.036 -1.254 1.00 0.00 H new ATOM 0 HG SER A 9 2.309 -14.158 -0.267 1.00 0.00 H new ATOM 145 N GLU A 10 6.762 -16.218 0.601 1.00 0.00 N ATOM 146 CA GLU A 10 8.197 -16.325 0.367 1.00 0.00 C ATOM 147 C GLU A 10 8.627 -17.787 0.283 1.00 0.00 C ATOM 148 O GLU A 10 9.408 -18.167 -0.589 1.00 0.00 O ATOM 149 CB GLU A 10 8.972 -15.618 1.481 1.00 0.00 C ATOM 150 CG GLU A 10 10.473 -15.847 1.419 1.00 0.00 C ATOM 151 CD GLU A 10 11.228 -15.061 2.473 1.00 0.00 C ATOM 152 OE1 GLU A 10 11.016 -15.325 3.675 1.00 0.00 O ATOM 153 OE2 GLU A 10 12.030 -14.182 2.096 1.00 0.00 O ATOM 0 H GLU A 10 6.507 -15.636 1.399 1.00 0.00 H new ATOM 0 HA GLU A 10 8.421 -15.843 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.774 -14.548 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.600 -15.963 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.680 -16.910 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.839 -15.567 0.431 1.00 0.00 H new ATOM 160 N LYS A 11 8.111 -18.603 1.197 1.00 0.00 N ATOM 161 CA LYS A 11 8.439 -20.023 1.227 1.00 0.00 C ATOM 162 C LYS A 11 7.715 -20.773 0.114 1.00 0.00 C ATOM 163 O LYS A 11 8.203 -21.788 -0.382 1.00 0.00 O ATOM 164 CB LYS A 11 8.070 -20.623 2.586 1.00 0.00 C ATOM 165 CG LYS A 11 6.734 -21.346 2.588 1.00 0.00 C ATOM 166 CD LYS A 11 6.886 -22.800 2.174 1.00 0.00 C ATOM 167 CE LYS A 11 5.785 -23.224 1.215 1.00 0.00 C ATOM 168 NZ LYS A 11 5.154 -24.509 1.626 1.00 0.00 N ATOM 0 H LYS A 11 7.464 -18.304 1.927 1.00 0.00 H new ATOM 0 HA LYS A 11 9.513 -20.126 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.851 -21.319 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.044 -19.827 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.293 -21.294 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.046 -20.843 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.857 -22.945 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.864 -23.436 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.024 -22.445 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.198 -23.327 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.409 -24.763 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.874 -25.259 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.737 -24.404 2.573 1.00 0.00 H new ATOM 182 N GLN A 12 6.549 -20.266 -0.273 1.00 0.00 N ATOM 183 CA GLN A 12 5.758 -20.888 -1.328 1.00 0.00 C ATOM 184 C GLN A 12 6.529 -20.913 -2.644 1.00 0.00 C ATOM 185 O GLN A 12 6.679 -21.963 -3.269 1.00 0.00 O ATOM 186 CB GLN A 12 4.436 -20.142 -1.512 1.00 0.00 C ATOM 187 CG GLN A 12 3.403 -20.462 -0.444 1.00 0.00 C ATOM 188 CD GLN A 12 2.476 -21.591 -0.848 1.00 0.00 C ATOM 189 OE1 GLN A 12 2.836 -22.765 -0.763 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.274 -21.241 -1.291 1.00 0.00 N ATOM 0 H GLN A 12 6.131 -19.426 0.128 1.00 0.00 H new ATOM 0 HA GLN A 12 5.548 -21.916 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.630 -19.069 -1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.023 -20.388 -2.490 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.914 -20.730 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.813 -19.569 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.017 -20.255 -1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.607 -21.958 -1.577 1.00 0.00 H new ATOM 199 N LEU A 13 7.017 -19.749 -3.060 1.00 0.00 N ATOM 200 CA LEU A 13 7.773 -19.636 -4.302 1.00 0.00 C ATOM 201 C LEU A 13 9.191 -20.170 -4.127 1.00 0.00 C ATOM 202 O LEU A 13 9.778 -20.719 -5.059 1.00 0.00 O ATOM 203 CB LEU A 13 7.818 -18.178 -4.764 1.00 0.00 C ATOM 204 CG LEU A 13 6.479 -17.561 -5.170 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.693 -18.522 -6.048 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.672 -17.181 -3.937 1.00 0.00 C ATOM 0 H LEU A 13 6.902 -18.870 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 13 7.270 -20.236 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.244 -17.576 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.500 -18.107 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 13 6.677 -16.656 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.743 -18.066 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.267 -18.745 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.505 -19.445 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.722 -16.743 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.484 -18.071 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.231 -16.456 -3.346 1.00 0.00 H new ATOM 218 N ALA A 14 9.735 -20.006 -2.925 1.00 0.00 N ATOM 219 CA ALA A 14 11.082 -20.475 -2.626 1.00 0.00 C ATOM 220 C ALA A 14 11.147 -21.999 -2.631 1.00 0.00 C ATOM 221 O ALA A 14 12.230 -22.585 -2.631 1.00 0.00 O ATOM 222 CB ALA A 14 11.546 -19.930 -1.284 1.00 0.00 C ATOM 0 H ALA A 14 9.263 -19.552 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 14 11.749 -20.106 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.554 -20.289 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.548 -18.840 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.869 -20.270 -0.500 1.00 0.00 H new ATOM 228 N THR A 15 9.980 -22.636 -2.635 1.00 0.00 N ATOM 229 CA THR A 15 9.904 -24.091 -2.638 1.00 0.00 C ATOM 230 C THR A 15 9.662 -24.627 -4.044 1.00 0.00 C ATOM 231 O THR A 15 9.962 -25.784 -4.339 1.00 0.00 O ATOM 232 CB THR A 15 8.784 -24.597 -1.709 1.00 0.00 C ATOM 233 OG1 THR A 15 9.227 -24.570 -0.347 1.00 0.00 O ATOM 234 CG2 THR A 15 8.368 -26.012 -2.084 1.00 0.00 C ATOM 0 H THR A 15 9.075 -22.166 -2.636 1.00 0.00 H new ATOM 0 HA THR A 15 10.863 -24.458 -2.273 1.00 0.00 H new ATOM 0 HB THR A 15 7.922 -23.939 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.038 -23.690 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.576 -26.348 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.004 -26.024 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.226 -26.679 -1.995 1.00 0.00 H new ATOM 242 N VAL A 16 9.119 -23.777 -4.911 1.00 0.00 N ATOM 243 CA VAL A 16 8.839 -24.165 -6.288 1.00 0.00 C ATOM 244 C VAL A 16 10.024 -24.899 -6.904 1.00 0.00 C ATOM 245 O VAL A 16 11.180 -24.575 -6.631 1.00 0.00 O ATOM 246 CB VAL A 16 8.499 -22.939 -7.158 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.768 -22.201 -7.559 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.707 -23.361 -8.386 1.00 0.00 C ATOM 0 H VAL A 16 8.865 -22.816 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 16 7.977 -24.832 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 16 7.881 -22.259 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.509 -21.338 -8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.292 -21.865 -6.664 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.414 -22.870 -8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.475 -22.483 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.297 -24.061 -8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.780 -23.841 -8.074 1.00 0.00 H new ATOM 258 N LYS A 17 9.730 -25.891 -7.738 1.00 0.00 N ATOM 259 CA LYS A 17 10.770 -26.672 -8.396 1.00 0.00 C ATOM 260 C LYS A 17 11.470 -25.848 -9.473 1.00 0.00 C ATOM 261 O LYS A 17 12.682 -25.635 -9.435 1.00 0.00 O ATOM 262 CB LYS A 17 10.172 -27.937 -9.016 1.00 0.00 C ATOM 263 CG LYS A 17 10.937 -28.441 -10.228 1.00 0.00 C ATOM 264 CD LYS A 17 12.390 -28.727 -9.890 1.00 0.00 C ATOM 265 CE LYS A 17 12.951 -29.852 -10.747 1.00 0.00 C ATOM 266 NZ LYS A 17 13.226 -29.404 -12.140 1.00 0.00 N ATOM 0 H LYS A 17 8.779 -26.173 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 17 11.506 -26.956 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.145 -28.723 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.140 -27.737 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.465 -29.348 -10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.887 -27.699 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.983 -27.825 -10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.474 -28.994 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.871 -30.227 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.244 -30.682 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.607 -30.199 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.344 -29.070 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.920 -28.629 -12.125 1.00 0.00 H new ATOM 280 N PRO A 18 10.691 -25.372 -10.455 1.00 0.00 N ATOM 281 CA PRO A 18 11.215 -24.563 -11.559 1.00 0.00 C ATOM 282 C PRO A 18 11.655 -23.176 -11.103 1.00 0.00 C ATOM 283 O PRO A 18 11.807 -22.925 -9.908 1.00 0.00 O ATOM 284 CB PRO A 18 10.026 -24.458 -12.518 1.00 0.00 C ATOM 285 CG PRO A 18 8.826 -24.637 -11.654 1.00 0.00 C ATOM 286 CD PRO A 18 9.238 -25.587 -10.564 1.00 0.00 C ATOM 0 HA PRO A 18 12.103 -25.010 -12.006 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.009 -23.493 -13.024 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.074 -25.223 -13.293 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.499 -23.684 -11.238 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.990 -25.039 -12.226 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.728 -25.368 -9.626 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.003 -26.620 -10.821 1.00 0.00 H new ATOM 294 N GLU A 19 11.858 -22.279 -12.063 1.00 0.00 N ATOM 295 CA GLU A 19 12.281 -20.917 -11.758 1.00 0.00 C ATOM 296 C GLU A 19 11.178 -19.917 -12.094 1.00 0.00 C ATOM 297 O GLU A 19 11.423 -18.713 -12.187 1.00 0.00 O ATOM 298 CB GLU A 19 13.553 -20.569 -12.533 1.00 0.00 C ATOM 299 CG GLU A 19 13.490 -20.937 -14.005 1.00 0.00 C ATOM 300 CD GLU A 19 14.024 -22.330 -14.282 1.00 0.00 C ATOM 301 OE1 GLU A 19 15.145 -22.635 -13.826 1.00 0.00 O ATOM 302 OE2 GLU A 19 13.321 -23.113 -14.954 1.00 0.00 O ATOM 0 H GLU A 19 11.737 -22.471 -13.057 1.00 0.00 H new ATOM 0 HA GLU A 19 12.488 -20.859 -10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.742 -19.499 -12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.399 -21.082 -12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.457 -20.873 -14.348 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.063 -20.211 -14.582 1.00 0.00 H new ATOM 309 N LEU A 20 9.964 -20.423 -12.276 1.00 0.00 N ATOM 310 CA LEU A 20 8.822 -19.575 -12.602 1.00 0.00 C ATOM 311 C LEU A 20 8.684 -18.437 -11.596 1.00 0.00 C ATOM 312 O LEU A 20 8.199 -17.357 -11.930 1.00 0.00 O ATOM 313 CB LEU A 20 7.537 -20.405 -12.630 1.00 0.00 C ATOM 314 CG LEU A 20 7.000 -20.857 -11.271 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.059 -19.810 -10.694 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.295 -22.200 -11.396 1.00 0.00 C ATOM 0 H LEU A 20 9.744 -21.416 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 20 8.991 -19.144 -13.589 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.763 -19.822 -13.129 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.713 -21.290 -13.241 1.00 0.00 H new ATOM 0 HG LEU A 20 7.842 -20.974 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.687 -20.149 -9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.595 -18.869 -10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.220 -19.661 -11.374 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.919 -22.506 -10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.462 -22.110 -12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.998 -22.947 -11.765 1.00 0.00 H new ATOM 328 N GLN A 21 9.116 -18.687 -10.364 1.00 0.00 N ATOM 329 CA GLN A 21 9.041 -17.682 -9.310 1.00 0.00 C ATOM 330 C GLN A 21 9.873 -16.455 -9.669 1.00 0.00 C ATOM 331 O GLN A 21 9.560 -15.338 -9.257 1.00 0.00 O ATOM 332 CB GLN A 21 9.523 -18.269 -7.982 1.00 0.00 C ATOM 333 CG GLN A 21 10.937 -18.823 -8.039 1.00 0.00 C ATOM 334 CD GLN A 21 11.967 -17.848 -7.503 1.00 0.00 C ATOM 335 OE1 GLN A 21 12.920 -17.491 -8.197 1.00 0.00 O ATOM 336 NE2 GLN A 21 11.782 -17.412 -6.263 1.00 0.00 N ATOM 0 H GLN A 21 9.521 -19.576 -10.071 1.00 0.00 H new ATOM 0 HA GLN A 21 8.000 -17.376 -9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.475 -17.497 -7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.842 -19.064 -7.677 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.984 -19.748 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.183 -19.075 -9.070 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.978 -17.734 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.443 -16.755 -5.849 1.00 0.00 H new ATOM 345 N LYS A 22 10.935 -16.670 -10.438 1.00 0.00 N ATOM 346 CA LYS A 22 11.812 -15.582 -10.853 1.00 0.00 C ATOM 347 C LYS A 22 11.008 -14.433 -11.453 1.00 0.00 C ATOM 348 O LYS A 22 11.103 -13.293 -11.000 1.00 0.00 O ATOM 349 CB LYS A 22 12.837 -16.087 -11.871 1.00 0.00 C ATOM 350 CG LYS A 22 13.909 -16.977 -11.265 1.00 0.00 C ATOM 351 CD LYS A 22 15.167 -16.993 -12.117 1.00 0.00 C ATOM 352 CE LYS A 22 16.227 -16.053 -11.564 1.00 0.00 C ATOM 353 NZ LYS A 22 17.349 -15.856 -12.523 1.00 0.00 N ATOM 0 H LYS A 22 11.209 -17.589 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 22 12.335 -15.214 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.317 -16.640 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.314 -15.231 -12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.152 -16.625 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.525 -17.992 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.565 -18.007 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.920 -16.704 -13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.773 -15.089 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.616 -16.454 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.050 -15.209 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.799 -16.772 -12.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.983 -15.449 -13.407 1.00 0.00 H new ATOM 367 N VAL A 23 10.215 -14.742 -12.474 1.00 0.00 N ATOM 368 CA VAL A 23 9.391 -13.735 -13.134 1.00 0.00 C ATOM 369 C VAL A 23 8.466 -13.044 -12.139 1.00 0.00 C ATOM 370 O VAL A 23 8.270 -11.830 -12.199 1.00 0.00 O ATOM 371 CB VAL A 23 8.544 -14.355 -14.261 1.00 0.00 C ATOM 372 CG1 VAL A 23 7.306 -13.510 -14.524 1.00 0.00 C ATOM 373 CG2 VAL A 23 9.373 -14.509 -15.527 1.00 0.00 C ATOM 0 H VAL A 23 10.125 -15.681 -12.862 1.00 0.00 H new ATOM 0 HA VAL A 23 10.072 -13.000 -13.563 1.00 0.00 H new ATOM 0 HB VAL A 23 8.218 -15.346 -13.945 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.719 -13.963 -15.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.703 -13.456 -13.617 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.607 -12.505 -14.820 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.759 -14.949 -16.313 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.730 -13.531 -15.850 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.225 -15.158 -15.327 1.00 0.00 H new ATOM 383 N ALA A 24 7.901 -13.824 -11.224 1.00 0.00 N ATOM 384 CA ALA A 24 6.998 -13.286 -10.214 1.00 0.00 C ATOM 385 C ALA A 24 7.702 -12.249 -9.345 1.00 0.00 C ATOM 386 O ALA A 24 7.208 -11.135 -9.169 1.00 0.00 O ATOM 387 CB ALA A 24 6.441 -14.409 -9.352 1.00 0.00 C ATOM 0 H ALA A 24 8.053 -14.831 -11.161 1.00 0.00 H new ATOM 0 HA ALA A 24 6.172 -12.792 -10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.768 -13.993 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.894 -15.112 -9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.261 -14.928 -8.856 1.00 0.00 H new ATOM 393 N ARG A 25 8.857 -12.623 -8.804 1.00 0.00 N ATOM 394 CA ARG A 25 9.627 -11.725 -7.952 1.00 0.00 C ATOM 395 C ARG A 25 9.965 -10.432 -8.689 1.00 0.00 C ATOM 396 O ARG A 25 9.654 -9.338 -8.218 1.00 0.00 O ATOM 397 CB ARG A 25 10.913 -12.409 -7.484 1.00 0.00 C ATOM 398 CG ARG A 25 11.500 -11.804 -6.219 1.00 0.00 C ATOM 399 CD ARG A 25 12.497 -12.745 -5.562 1.00 0.00 C ATOM 400 NE ARG A 25 11.835 -13.854 -4.879 1.00 0.00 N ATOM 401 CZ ARG A 25 12.464 -14.700 -4.071 1.00 0.00 C ATOM 402 NH1 ARG A 25 13.764 -14.565 -3.846 1.00 0.00 N ATOM 403 NH2 ARG A 25 11.793 -15.684 -3.486 1.00 0.00 N ATOM 0 H ARG A 25 9.280 -13.541 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 25 9.017 -11.479 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.710 -13.466 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.655 -12.354 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.992 -10.861 -6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.698 -11.575 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.176 -13.139 -6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.103 -12.189 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 25 10.835 -13.986 -5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.283 -13.810 -4.294 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.244 -15.216 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.793 -15.791 -3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.277 -16.333 -2.866 1.00 0.00 H new ATOM 417 N ARG A 26 10.604 -10.567 -9.847 1.00 0.00 N ATOM 418 CA ARG A 26 10.986 -9.410 -10.648 1.00 0.00 C ATOM 419 C ARG A 26 9.761 -8.583 -11.026 1.00 0.00 C ATOM 420 O ARG A 26 9.769 -7.357 -10.916 1.00 0.00 O ATOM 421 CB ARG A 26 11.722 -9.859 -11.911 1.00 0.00 C ATOM 422 CG ARG A 26 12.755 -8.858 -12.402 1.00 0.00 C ATOM 423 CD ARG A 26 14.096 -9.525 -12.666 1.00 0.00 C ATOM 424 NE ARG A 26 15.213 -8.725 -12.171 1.00 0.00 N ATOM 425 CZ ARG A 26 16.444 -9.198 -12.017 1.00 0.00 C ATOM 426 NH1 ARG A 26 16.716 -10.460 -12.320 1.00 0.00 N ATOM 427 NH2 ARG A 26 17.408 -8.408 -11.561 1.00 0.00 N ATOM 0 H ARG A 26 10.868 -11.466 -10.251 1.00 0.00 H new ATOM 0 HA ARG A 26 11.652 -8.788 -10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.215 -10.811 -11.715 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.994 -10.035 -12.703 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.397 -8.383 -13.316 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.880 -8.069 -11.660 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.113 -10.505 -12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.214 -9.689 -13.737 1.00 0.00 H new ATOM 0 HE ARG A 26 15.038 -7.749 -11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.979 -11.070 -12.672 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.663 -10.820 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.204 -7.436 -11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.353 -8.773 -11.443 1.00 0.00 H new ATOM 441 N ALA A 27 8.710 -9.262 -11.474 1.00 0.00 N ATOM 442 CA ALA A 27 7.478 -8.591 -11.867 1.00 0.00 C ATOM 443 C ALA A 27 6.963 -7.690 -10.750 1.00 0.00 C ATOM 444 O ALA A 27 6.439 -6.604 -11.005 1.00 0.00 O ATOM 445 CB ALA A 27 6.419 -9.613 -12.253 1.00 0.00 C ATOM 0 H ALA A 27 8.688 -10.277 -11.574 1.00 0.00 H new ATOM 0 HA ALA A 27 7.696 -7.965 -12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.504 -9.097 -12.544 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.779 -10.212 -13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.214 -10.263 -11.403 1.00 0.00 H new ATOM 451 N LEU A 28 7.114 -8.146 -9.511 1.00 0.00 N ATOM 452 CA LEU A 28 6.663 -7.381 -8.354 1.00 0.00 C ATOM 453 C LEU A 28 7.166 -5.942 -8.423 1.00 0.00 C ATOM 454 O LEU A 28 6.431 -5.003 -8.120 1.00 0.00 O ATOM 455 CB LEU A 28 7.146 -8.041 -7.062 1.00 0.00 C ATOM 456 CG LEU A 28 6.629 -7.427 -5.760 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.145 -7.114 -5.870 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.894 -8.361 -4.588 1.00 0.00 C ATOM 0 H LEU A 28 7.545 -9.042 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 28 5.573 -7.366 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.857 -9.092 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.235 -8.010 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 28 7.164 -6.494 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.795 -6.678 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.982 -6.407 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.593 -8.032 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.520 -7.908 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.386 -9.311 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.966 -8.534 -4.496 1.00 0.00 H new ATOM 470 N GLU A 29 8.423 -5.779 -8.824 1.00 0.00 N ATOM 471 CA GLU A 29 9.023 -4.454 -8.934 1.00 0.00 C ATOM 472 C GLU A 29 8.828 -3.883 -10.335 1.00 0.00 C ATOM 473 O GLU A 29 8.452 -2.721 -10.498 1.00 0.00 O ATOM 474 CB GLU A 29 10.514 -4.516 -8.599 1.00 0.00 C ATOM 475 CG GLU A 29 10.828 -5.354 -7.371 1.00 0.00 C ATOM 476 CD GLU A 29 11.739 -4.637 -6.393 1.00 0.00 C ATOM 477 OE1 GLU A 29 12.736 -4.036 -6.844 1.00 0.00 O ATOM 478 OE2 GLU A 29 11.455 -4.678 -5.178 1.00 0.00 O ATOM 0 H GLU A 29 9.045 -6.547 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 29 8.525 -3.797 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.053 -4.924 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.885 -3.503 -8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.898 -5.618 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.298 -6.287 -7.683 1.00 0.00 H new ATOM 485 N LEU A 30 9.087 -4.707 -11.345 1.00 0.00 N ATOM 486 CA LEU A 30 8.941 -4.285 -12.733 1.00 0.00 C ATOM 487 C LEU A 30 7.573 -3.652 -12.969 1.00 0.00 C ATOM 488 O LEU A 30 7.475 -2.490 -13.363 1.00 0.00 O ATOM 489 CB LEU A 30 9.132 -5.477 -13.672 1.00 0.00 C ATOM 490 CG LEU A 30 10.543 -6.064 -13.732 1.00 0.00 C ATOM 491 CD1 LEU A 30 10.609 -7.191 -14.751 1.00 0.00 C ATOM 492 CD2 LEU A 30 11.558 -4.981 -14.064 1.00 0.00 C ATOM 0 H LEU A 30 9.399 -5.671 -11.228 1.00 0.00 H new ATOM 0 HA LEU A 30 9.707 -3.539 -12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.444 -6.266 -13.369 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.844 -5.172 -14.678 1.00 0.00 H new ATOM 0 HG LEU A 30 10.788 -6.474 -12.752 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.620 -7.597 -14.780 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.910 -7.978 -14.468 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.344 -6.807 -15.736 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.556 -5.417 -14.102 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.317 -4.541 -15.032 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.529 -4.208 -13.296 1.00 0.00 H new ATOM 504 N SER A 31 6.519 -4.424 -12.724 1.00 0.00 N ATOM 505 CA SER A 31 5.157 -3.939 -12.911 1.00 0.00 C ATOM 506 C SER A 31 4.927 -2.648 -12.130 1.00 0.00 C ATOM 507 O SER A 31 5.623 -2.347 -11.160 1.00 0.00 O ATOM 508 CB SER A 31 4.149 -5.002 -12.468 1.00 0.00 C ATOM 509 OG SER A 31 3.520 -4.634 -11.253 1.00 0.00 O ATOM 0 H SER A 31 6.582 -5.388 -12.396 1.00 0.00 H new ATOM 0 HA SER A 31 5.014 -3.732 -13.972 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.396 -5.139 -13.244 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.656 -5.959 -12.343 1.00 0.00 H new ATOM 0 HG SER A 31 2.649 -5.078 -11.188 1.00 0.00 H new ATOM 515 N PRO A 32 3.927 -1.866 -12.562 1.00 0.00 N ATOM 516 CA PRO A 32 3.581 -0.595 -11.919 1.00 0.00 C ATOM 517 C PRO A 32 2.960 -0.794 -10.540 1.00 0.00 C ATOM 518 O PRO A 32 3.369 -0.159 -9.568 1.00 0.00 O ATOM 519 CB PRO A 32 2.562 0.023 -12.880 1.00 0.00 C ATOM 520 CG PRO A 32 1.962 -1.139 -13.594 1.00 0.00 C ATOM 521 CD PRO A 32 3.056 -2.163 -13.712 1.00 0.00 C ATOM 0 HA PRO A 32 4.459 0.028 -11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.804 0.591 -12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.041 0.711 -13.576 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.111 -1.539 -13.042 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.595 -0.845 -14.577 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.662 -3.178 -13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.592 -2.071 -14.657 1.00 0.00 H new ATOM 529 N TYR A 33 1.972 -1.678 -10.463 1.00 0.00 N ATOM 530 CA TYR A 33 1.294 -1.958 -9.203 1.00 0.00 C ATOM 531 C TYR A 33 1.771 -3.281 -8.610 1.00 0.00 C ATOM 532 O TYR A 33 1.855 -4.292 -9.308 1.00 0.00 O ATOM 533 CB TYR A 33 -0.221 -1.997 -9.412 1.00 0.00 C ATOM 534 CG TYR A 33 -0.704 -1.075 -10.509 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.365 0.272 -10.512 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.499 -1.552 -11.544 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.805 1.118 -11.511 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.943 -0.714 -12.549 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.593 0.620 -12.528 1.00 0.00 C ATOM 540 OH TYR A 33 -2.032 1.459 -13.526 1.00 0.00 O ATOM 0 H TYR A 33 1.623 -2.213 -11.258 1.00 0.00 H new ATOM 0 HA TYR A 33 1.537 -1.158 -8.504 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.521 -3.018 -9.649 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.715 -1.728 -8.479 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.254 0.665 -9.719 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.775 -2.596 -11.563 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.534 2.163 -11.496 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.560 -1.101 -13.346 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.575 0.951 -14.165 1.00 0.00 H new ATOM 550 N ASP A 34 2.080 -3.265 -7.319 1.00 0.00 N ATOM 551 CA ASP A 34 2.547 -4.463 -6.630 1.00 0.00 C ATOM 552 C ASP A 34 1.533 -5.595 -6.760 1.00 0.00 C ATOM 553 O ASP A 34 0.501 -5.446 -7.416 1.00 0.00 O ATOM 554 CB ASP A 34 2.804 -4.160 -5.153 1.00 0.00 C ATOM 555 CG ASP A 34 4.107 -3.416 -4.932 1.00 0.00 C ATOM 556 OD1 ASP A 34 4.104 -2.172 -5.035 1.00 0.00 O ATOM 557 OD2 ASP A 34 5.129 -4.079 -4.658 1.00 0.00 O ATOM 0 H ASP A 34 2.016 -2.436 -6.728 1.00 0.00 H new ATOM 0 HA ASP A 34 3.480 -4.780 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.979 -3.567 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.823 -5.094 -4.591 1.00 0.00 H new ATOM 562 N PHE A 35 1.833 -6.727 -6.133 1.00 0.00 N ATOM 563 CA PHE A 35 0.949 -7.886 -6.181 1.00 0.00 C ATOM 564 C PHE A 35 1.256 -8.852 -5.041 1.00 0.00 C ATOM 565 O PHE A 35 2.418 -9.092 -4.710 1.00 0.00 O ATOM 566 CB PHE A 35 1.088 -8.605 -7.525 1.00 0.00 C ATOM 567 CG PHE A 35 2.260 -9.542 -7.585 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.162 -10.827 -7.077 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.459 -9.138 -8.149 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.239 -11.693 -7.131 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.539 -9.999 -8.206 1.00 0.00 C ATOM 572 CZ PHE A 35 4.429 -11.278 -7.696 1.00 0.00 C ATOM 0 H PHE A 35 2.682 -6.867 -5.585 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.077 -7.534 -6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.175 -9.165 -7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.186 -7.862 -8.317 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.234 -11.156 -6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.551 -8.139 -8.549 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.150 -12.693 -6.732 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.468 -9.672 -8.649 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.272 -11.952 -7.739 1.00 0.00 H new ATOM 582 N THR A 36 0.206 -9.405 -4.442 1.00 0.00 N ATOM 583 CA THR A 36 0.361 -10.343 -3.338 1.00 0.00 C ATOM 584 C THR A 36 0.222 -11.783 -3.817 1.00 0.00 C ATOM 585 O THR A 36 -0.626 -12.090 -4.654 1.00 0.00 O ATOM 586 CB THR A 36 -0.674 -10.081 -2.228 1.00 0.00 C ATOM 587 OG1 THR A 36 -0.527 -11.048 -1.182 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.089 -10.138 -2.783 1.00 0.00 C ATOM 0 H THR A 36 -0.762 -9.219 -4.704 1.00 0.00 H new ATOM 0 HA THR A 36 1.362 -10.192 -2.934 1.00 0.00 H new ATOM 0 HB THR A 36 -0.498 -9.083 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.244 -10.813 -0.625 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.802 -9.950 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.207 -9.381 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.273 -11.124 -3.209 1.00 0.00 H new ATOM 596 N ILE A 37 1.060 -12.664 -3.279 1.00 0.00 N ATOM 597 CA ILE A 37 1.029 -14.073 -3.651 1.00 0.00 C ATOM 598 C ILE A 37 -0.111 -14.802 -2.947 1.00 0.00 C ATOM 599 O ILE A 37 -0.344 -14.606 -1.754 1.00 0.00 O ATOM 600 CB ILE A 37 2.358 -14.774 -3.314 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.440 -14.373 -4.318 1.00 0.00 C ATOM 602 CG2 ILE A 37 2.172 -16.284 -3.302 1.00 0.00 C ATOM 603 CD1 ILE A 37 3.284 -15.031 -5.670 1.00 0.00 C ATOM 0 H ILE A 37 1.768 -12.426 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 37 0.871 -14.112 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 37 2.676 -14.459 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.422 -13.291 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.417 -14.630 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.120 -16.765 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.428 -16.553 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.834 -16.617 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.086 -14.700 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.332 -16.114 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.322 -14.754 -6.101 1.00 0.00 H new ATOM 615 N VAL A 38 -0.817 -15.645 -3.693 1.00 0.00 N ATOM 616 CA VAL A 38 -1.930 -16.407 -3.140 1.00 0.00 C ATOM 617 C VAL A 38 -1.548 -17.868 -2.932 1.00 0.00 C ATOM 618 O VAL A 38 -1.839 -18.453 -1.890 1.00 0.00 O ATOM 619 CB VAL A 38 -3.167 -16.337 -4.055 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.367 -16.986 -3.382 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.471 -14.894 -4.430 1.00 0.00 C ATOM 0 H VAL A 38 -0.638 -15.818 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.173 -15.958 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.952 -16.889 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.231 -16.927 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.144 -18.031 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.587 -16.465 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.348 -14.863 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.666 -14.317 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.617 -14.467 -4.956 1.00 0.00 H new ATOM 631 N GLN A 39 -0.893 -18.450 -3.932 1.00 0.00 N ATOM 632 CA GLN A 39 -0.470 -19.844 -3.858 1.00 0.00 C ATOM 633 C GLN A 39 0.741 -20.093 -4.751 1.00 0.00 C ATOM 634 O GLN A 39 0.759 -19.695 -5.914 1.00 0.00 O ATOM 635 CB GLN A 39 -1.618 -20.769 -4.265 1.00 0.00 C ATOM 636 CG GLN A 39 -2.456 -21.252 -3.092 1.00 0.00 C ATOM 637 CD GLN A 39 -3.379 -22.395 -3.465 1.00 0.00 C ATOM 638 OE1 GLN A 39 -2.952 -23.384 -4.062 1.00 0.00 O ATOM 639 NE2 GLN A 39 -4.654 -22.265 -3.116 1.00 0.00 N ATOM 0 H GLN A 39 -0.644 -17.979 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.188 -20.058 -2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.263 -20.245 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.209 -21.633 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.796 -21.572 -2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.049 -20.422 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.965 -21.428 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.322 -23.002 -3.342 1.00 0.00 H new ATOM 648 N GLY A 40 1.752 -20.756 -4.197 1.00 0.00 N ATOM 649 CA GLY A 40 2.954 -21.047 -4.957 1.00 0.00 C ATOM 650 C GLY A 40 3.175 -22.534 -5.144 1.00 0.00 C ATOM 651 O GLY A 40 3.255 -23.019 -6.273 1.00 0.00 O ATOM 0 H GLY A 40 1.760 -21.097 -3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.888 -20.567 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.816 -20.616 -4.447 1.00 0.00 H new ATOM 655 N ILE A 41 3.277 -23.260 -4.036 1.00 0.00 N ATOM 656 CA ILE A 41 3.491 -24.701 -4.084 1.00 0.00 C ATOM 657 C ILE A 41 2.552 -25.429 -3.128 1.00 0.00 C ATOM 658 O ILE A 41 2.129 -24.873 -2.114 1.00 0.00 O ATOM 659 CB ILE A 41 4.946 -25.065 -3.733 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.325 -26.406 -4.365 1.00 0.00 C ATOM 661 CG2 ILE A 41 5.131 -25.113 -2.224 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.332 -26.382 -5.877 1.00 0.00 C ATOM 0 H ILE A 41 3.215 -22.874 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 41 3.281 -25.017 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 41 5.605 -24.296 -4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.313 -26.699 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.625 -27.169 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.164 -25.371 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.896 -24.138 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.465 -25.864 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.609 -27.366 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.339 -26.120 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.053 -25.643 -6.226 1.00 0.00 H new ATOM 674 N ARG A 42 2.231 -26.675 -3.458 1.00 0.00 N ATOM 675 CA ARG A 42 1.342 -27.480 -2.628 1.00 0.00 C ATOM 676 C ARG A 42 2.139 -28.336 -1.648 1.00 0.00 C ATOM 677 O ARG A 42 3.045 -29.071 -2.042 1.00 0.00 O ATOM 678 CB ARG A 42 0.463 -28.374 -3.504 1.00 0.00 C ATOM 679 CG ARG A 42 -0.697 -27.638 -4.156 1.00 0.00 C ATOM 680 CD ARG A 42 -2.036 -28.147 -3.646 1.00 0.00 C ATOM 681 NE ARG A 42 -3.038 -28.207 -4.707 1.00 0.00 N ATOM 682 CZ ARG A 42 -4.179 -28.880 -4.603 1.00 0.00 C ATOM 683 NH1 ARG A 42 -4.461 -29.545 -3.492 1.00 0.00 N ATOM 684 NH2 ARG A 42 -5.040 -28.887 -5.612 1.00 0.00 N ATOM 0 H ARG A 42 2.573 -27.149 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 42 0.706 -26.803 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.079 -28.825 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.070 -29.189 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.611 -26.570 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.647 -27.763 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.906 -29.139 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.392 -27.495 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.852 -27.705 -5.575 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.801 -29.541 -2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.338 -30.061 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.826 -28.376 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.916 -29.404 -5.532 1.00 0.00 H new ATOM 1035 N HIS A 66 -0.177 -26.535 -9.676 1.00 0.00 N ATOM 1036 CA HIS A 66 0.501 -26.291 -8.408 1.00 0.00 C ATOM 1037 C HIS A 66 1.171 -27.563 -7.896 1.00 0.00 C ATOM 1038 O HIS A 66 2.229 -27.509 -7.269 1.00 0.00 O ATOM 1039 CB HIS A 66 -0.490 -25.768 -7.367 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.891 -24.342 -7.586 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.354 -23.291 -6.873 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.782 -23.795 -8.446 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.898 -22.159 -7.283 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.768 -22.437 -8.238 1.00 0.00 N ATOM 0 HA HIS A 66 1.271 -25.538 -8.576 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.382 -26.394 -7.380 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.048 -25.864 -6.376 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.353 -23.375 -6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.391 -24.327 -9.162 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.670 -21.174 -6.902 1.00 0.00 H new ATOM 1052 N ILE A 67 0.547 -28.704 -8.167 1.00 0.00 N ATOM 1053 CA ILE A 67 1.083 -29.988 -7.734 1.00 0.00 C ATOM 1054 C ILE A 67 2.474 -30.226 -8.311 1.00 0.00 C ATOM 1055 O ILE A 67 3.357 -30.756 -7.635 1.00 0.00 O ATOM 1056 CB ILE A 67 0.162 -31.151 -8.148 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -1.303 -30.785 -7.898 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.533 -32.417 -7.391 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.536 -30.101 -6.569 1.00 0.00 C ATOM 0 H ILE A 67 -0.330 -28.765 -8.684 1.00 0.00 H new ATOM 0 HA ILE A 67 1.145 -29.953 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 67 0.294 -31.337 -9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.648 -30.131 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.908 -31.690 -7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.127 -33.229 -7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.565 -32.685 -7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.427 -32.245 -6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.596 -29.871 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.222 -30.761 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.958 -29.178 -6.529 1.00 0.00 H new ATOM 1071 N THR A 68 2.664 -29.830 -9.565 1.00 0.00 N ATOM 1072 CA THR A 68 3.948 -29.998 -10.234 1.00 0.00 C ATOM 1073 C THR A 68 4.837 -28.776 -10.034 1.00 0.00 C ATOM 1074 O THR A 68 5.955 -28.719 -10.545 1.00 0.00 O ATOM 1075 CB THR A 68 3.767 -30.246 -11.743 1.00 0.00 C ATOM 1076 OG1 THR A 68 3.307 -29.051 -12.384 1.00 0.00 O ATOM 1077 CG2 THR A 68 2.777 -31.374 -11.992 1.00 0.00 C ATOM 0 H THR A 68 1.944 -29.390 -10.139 1.00 0.00 H new ATOM 0 HA THR A 68 4.426 -30.869 -9.785 1.00 0.00 H new ATOM 0 HB THR A 68 4.732 -30.533 -12.160 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.196 -29.216 -13.344 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.666 -31.530 -13.065 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.144 -32.289 -11.528 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.811 -31.112 -11.562 1.00 0.00 H new ATOM 1085 N GLY A 69 4.333 -27.799 -9.286 1.00 0.00 N ATOM 1086 CA GLY A 69 5.095 -26.591 -9.032 1.00 0.00 C ATOM 1087 C GLY A 69 5.442 -25.845 -10.305 1.00 0.00 C ATOM 1088 O GLY A 69 6.332 -24.994 -10.311 1.00 0.00 O ATOM 0 H GLY A 69 3.410 -27.823 -8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.523 -25.936 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.013 -26.849 -8.504 1.00 0.00 H new ATOM 1092 N ASP A 70 4.741 -26.166 -11.386 1.00 0.00 N ATOM 1093 CA ASP A 70 4.980 -25.521 -12.672 1.00 0.00 C ATOM 1094 C ASP A 70 3.988 -24.385 -12.903 1.00 0.00 C ATOM 1095 O ASP A 70 3.738 -23.988 -14.040 1.00 0.00 O ATOM 1096 CB ASP A 70 4.877 -26.542 -13.806 1.00 0.00 C ATOM 1097 CG ASP A 70 6.102 -27.430 -13.898 1.00 0.00 C ATOM 1098 OD1 ASP A 70 7.157 -27.044 -13.352 1.00 0.00 O ATOM 1099 OD2 ASP A 70 6.007 -28.511 -14.517 1.00 0.00 O ATOM 0 H ASP A 70 4.002 -26.869 -11.398 1.00 0.00 H new ATOM 0 HA ASP A 70 5.987 -25.104 -12.659 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.993 -27.162 -13.654 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.740 -26.018 -14.752 1.00 0.00 H new ATOM 1104 N ALA A 71 3.425 -23.867 -11.816 1.00 0.00 N ATOM 1105 CA ALA A 71 2.462 -22.777 -11.899 1.00 0.00 C ATOM 1106 C ALA A 71 2.182 -22.185 -10.522 1.00 0.00 C ATOM 1107 O ALA A 71 2.387 -22.841 -9.501 1.00 0.00 O ATOM 1108 CB ALA A 71 1.170 -23.262 -12.540 1.00 0.00 C ATOM 0 H ALA A 71 3.620 -24.186 -10.867 1.00 0.00 H new ATOM 0 HA ALA A 71 2.892 -21.992 -12.522 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.459 -22.437 -12.596 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.378 -23.630 -13.545 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.746 -24.067 -11.939 1.00 0.00 H new ATOM 1114 N ILE A 72 1.714 -20.941 -10.502 1.00 0.00 N ATOM 1115 CA ILE A 72 1.406 -20.261 -9.250 1.00 0.00 C ATOM 1116 C ILE A 72 0.285 -19.246 -9.437 1.00 0.00 C ATOM 1117 O ILE A 72 -0.039 -18.863 -10.562 1.00 0.00 O ATOM 1118 CB ILE A 72 2.644 -19.543 -8.680 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.146 -18.486 -9.666 1.00 0.00 C ATOM 1120 CG2 ILE A 72 3.743 -20.549 -8.368 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.539 -17.118 -9.445 1.00 0.00 C ATOM 0 H ILE A 72 1.540 -20.384 -11.339 1.00 0.00 H new ATOM 0 HA ILE A 72 1.084 -21.028 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 72 2.362 -19.044 -7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.230 -18.411 -9.585 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.924 -18.813 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.611 -20.027 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.380 -21.268 -7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.026 -21.074 -9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.940 -16.419 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.456 -17.178 -9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.783 -16.770 -8.441 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.304 -18.812 -8.328 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.388 -17.837 -8.369 1.00 0.00 C ATOM 1135 C ASP A 73 -1.023 -16.585 -7.578 1.00 0.00 C ATOM 1136 O ASP A 73 -0.402 -16.667 -6.518 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.674 -18.450 -7.813 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.917 -17.735 -8.307 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -4.212 -16.636 -7.794 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.595 -18.276 -9.207 1.00 0.00 O ATOM 0 H ASP A 73 -0.049 -19.120 -7.390 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.550 -17.553 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.725 -19.501 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.648 -18.416 -6.724 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.413 -15.427 -8.100 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.125 -14.157 -7.444 1.00 0.00 C ATOM 1147 C PHE A 74 -2.303 -13.196 -7.578 1.00 0.00 C ATOM 1148 O PHE A 74 -3.288 -13.495 -8.253 1.00 0.00 O ATOM 1149 CB PHE A 74 0.134 -13.524 -8.041 1.00 0.00 C ATOM 1150 CG PHE A 74 -0.112 -12.811 -9.339 1.00 0.00 C ATOM 1151 CD1 PHE A 74 -0.461 -11.470 -9.353 1.00 0.00 C ATOM 1152 CD2 PHE A 74 0.006 -13.481 -10.546 1.00 0.00 C ATOM 1153 CE1 PHE A 74 -0.687 -10.810 -10.547 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.219 -12.827 -11.743 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.567 -11.490 -11.743 1.00 0.00 C ATOM 0 H PHE A 74 -1.929 -15.342 -8.975 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.958 -14.354 -6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.553 -12.819 -7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.882 -14.301 -8.198 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.558 -10.934 -8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.277 -14.526 -10.552 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.957 -9.764 -10.544 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.123 -13.361 -12.677 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.745 -10.977 -12.677 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.194 -12.042 -6.929 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.249 -11.036 -6.976 1.00 0.00 C ATOM 1167 C ALA A 75 -2.667 -9.639 -7.163 1.00 0.00 C ATOM 1168 O ALA A 75 -1.698 -9.251 -6.510 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.090 -11.094 -5.710 1.00 0.00 C ATOM 0 H ALA A 75 -1.386 -11.780 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.887 -11.253 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.873 -10.338 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.543 -12.081 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.457 -10.905 -4.843 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.271 -8.864 -8.076 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.829 -7.497 -8.371 1.00 0.00 C ATOM 1177 C PRO A 76 -3.114 -6.536 -7.222 1.00 0.00 C ATOM 1178 O PRO A 76 -4.271 -6.288 -6.880 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.651 -7.117 -9.604 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.870 -7.970 -9.525 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.431 -9.261 -8.892 1.00 0.00 C ATOM 0 HA PRO A 76 -1.752 -7.441 -8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.908 -6.058 -9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.096 -7.304 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.646 -7.488 -8.930 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.290 -8.144 -10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.221 -9.698 -8.281 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.159 -10.004 -9.642 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.054 -5.997 -6.631 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.191 -5.063 -5.519 1.00 0.00 C ATOM 1191 C TYR A 77 -2.294 -3.627 -6.023 1.00 0.00 C ATOM 1192 O TYR A 77 -1.496 -3.190 -6.853 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.004 -5.197 -4.564 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.407 -5.368 -3.117 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -1.925 -6.572 -2.658 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -1.268 -4.326 -2.209 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -2.295 -6.733 -1.337 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -1.634 -4.478 -0.886 1.00 0.00 C ATOM 1199 CZ TYR A 77 -2.148 -5.683 -0.454 1.00 0.00 C ATOM 1200 OH TYR A 77 -2.514 -5.840 0.863 1.00 0.00 O ATOM 0 H TYR A 77 -1.090 -6.190 -6.903 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.109 -5.307 -4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.399 -6.052 -4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.374 -4.312 -4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.041 -7.397 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.867 -3.381 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.697 -7.676 -0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.518 -3.658 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.346 -5.007 1.351 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.282 -2.898 -5.515 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.490 -1.511 -5.912 1.00 0.00 C ATOM 1212 C ILE A 78 -4.075 -0.693 -4.765 1.00 0.00 C ATOM 1213 O ILE A 78 -4.937 -1.168 -4.028 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.425 -1.408 -7.131 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.740 -1.974 -8.376 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -4.840 0.038 -7.359 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.005 -3.447 -8.595 1.00 0.00 C ATOM 0 H ILE A 78 -3.951 -3.245 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.513 -1.109 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.321 -1.996 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.078 -1.418 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.665 -1.815 -8.293 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.501 0.095 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.363 0.410 -6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.954 0.647 -7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.488 -3.780 -9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.642 -4.013 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.076 -3.611 -8.710 1.00 0.00 H new ATOM 1229 N ASN A 79 -3.601 0.541 -4.624 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.078 1.426 -3.568 1.00 0.00 C ATOM 1231 C ASN A 79 -3.799 0.831 -2.191 1.00 0.00 C ATOM 1232 O ASN A 79 -4.564 1.033 -1.249 1.00 0.00 O ATOM 1233 CB ASN A 79 -5.578 1.685 -3.729 1.00 0.00 C ATOM 1234 CG ASN A 79 -5.929 2.206 -5.110 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.063 2.681 -5.845 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -7.205 2.120 -5.467 1.00 0.00 N ATOM 0 H ASN A 79 -2.888 0.950 -5.227 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.541 2.371 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.126 0.761 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.902 2.406 -2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.502 2.455 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.888 1.719 -4.825 1.00 0.00 H new ATOM 1243 N GLY A 80 -2.696 0.096 -2.083 1.00 0.00 N ATOM 1244 CA GLY A 80 -2.335 -0.517 -0.818 1.00 0.00 C ATOM 1245 C GLY A 80 -3.299 -1.613 -0.408 1.00 0.00 C ATOM 1246 O GLY A 80 -3.314 -2.037 0.747 1.00 0.00 O ATOM 0 H GLY A 80 -2.047 -0.086 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.329 -0.931 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.308 0.248 -0.042 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.108 -2.072 -1.357 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.081 -3.125 -1.090 1.00 0.00 C ATOM 1252 C LYS A 81 -5.252 -4.029 -2.307 1.00 0.00 C ATOM 1253 O LYS A 81 -4.888 -3.658 -3.423 1.00 0.00 O ATOM 1254 CB LYS A 81 -6.429 -2.515 -0.701 1.00 0.00 C ATOM 1255 CG LYS A 81 -6.947 -1.496 -1.701 1.00 0.00 C ATOM 1256 CD LYS A 81 -7.651 -2.168 -2.868 1.00 0.00 C ATOM 1257 CE LYS A 81 -8.729 -1.273 -3.459 1.00 0.00 C ATOM 1258 NZ LYS A 81 -8.980 -1.580 -4.894 1.00 0.00 N ATOM 0 H LYS A 81 -4.109 -1.731 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.709 -3.728 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.163 -3.314 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.335 -2.038 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.636 -0.814 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.117 -0.895 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.922 -2.419 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.097 -3.105 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.653 -1.396 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.430 -0.230 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.721 -0.949 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.105 -1.438 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.290 -2.568 -4.989 1.00 0.00 H new ATOM 1272 N ILE A 82 -5.809 -5.214 -2.084 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.030 -6.169 -3.163 1.00 0.00 C ATOM 1274 C ILE A 82 -7.041 -5.633 -4.172 1.00 0.00 C ATOM 1275 O ILE A 82 -8.081 -5.092 -3.797 1.00 0.00 O ATOM 1276 CB ILE A 82 -6.529 -7.523 -2.624 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -5.682 -7.963 -1.428 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.493 -8.576 -3.722 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -6.428 -7.923 -0.113 1.00 0.00 C ATOM 0 H ILE A 82 -6.116 -5.536 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.069 -6.316 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.561 -7.408 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.322 -8.977 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.804 -7.320 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.848 -9.527 -3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.134 -8.264 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.471 -8.692 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.767 -8.247 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.765 -6.905 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.291 -8.588 -0.164 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.728 -5.789 -5.454 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.610 -5.324 -6.518 1.00 0.00 C ATOM 1293 C ASP A 83 -8.293 -6.500 -7.211 1.00 0.00 C ATOM 1294 O ASP A 83 -7.713 -7.137 -8.090 1.00 0.00 O ATOM 1295 CB ASP A 83 -6.822 -4.503 -7.540 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.721 -3.827 -8.557 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.954 -3.841 -8.360 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -7.192 -3.286 -9.550 1.00 0.00 O ATOM 0 H ASP A 83 -5.870 -6.234 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.378 -4.693 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.235 -3.747 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.117 -5.153 -8.058 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.526 -6.781 -6.807 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.288 -7.881 -7.388 1.00 0.00 C ATOM 1305 C TRP A 84 -11.490 -7.359 -8.168 1.00 0.00 C ATOM 1306 O TRP A 84 -12.079 -8.080 -8.972 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.753 -8.842 -6.292 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.715 -9.851 -5.906 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.165 -10.030 -4.669 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.101 -10.819 -6.764 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.246 -11.051 -4.706 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.189 -11.552 -5.979 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.234 -11.140 -8.117 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.415 -12.583 -6.506 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.465 -12.163 -8.638 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.565 -12.875 -7.834 1.00 0.00 C ATOM 0 H TRP A 84 -10.020 -6.263 -6.080 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.636 -8.417 -8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.035 -8.267 -5.410 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.648 -9.364 -6.632 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.415 -9.454 -3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.696 -11.382 -3.914 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.926 -10.598 -8.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.721 -13.133 -5.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.559 -12.418 -9.683 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.978 -13.670 -8.271 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.847 -6.103 -7.924 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.980 -5.485 -8.604 1.00 0.00 C ATOM 1329 C ASN A 85 -12.521 -4.728 -9.847 1.00 0.00 C ATOM 1330 O ASN A 85 -13.133 -4.831 -10.910 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.714 -4.534 -7.656 1.00 0.00 C ATOM 1332 CG ASN A 85 -14.680 -5.262 -6.742 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -14.458 -5.356 -5.534 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -15.760 -5.780 -7.315 1.00 0.00 N ATOM 0 H ASN A 85 -11.369 -5.493 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.662 -6.277 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.985 -3.992 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.259 -3.792 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.447 -6.280 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.903 -5.678 -8.320 1.00 0.00 H new ATOM 1341 N ASP A 86 -11.441 -3.968 -9.705 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.898 -3.195 -10.816 1.00 0.00 C ATOM 1343 C ASP A 86 -9.977 -4.054 -11.677 1.00 0.00 C ATOM 1344 O ASP A 86 -8.768 -4.105 -11.450 1.00 0.00 O ATOM 1345 CB ASP A 86 -10.138 -1.975 -10.293 1.00 0.00 C ATOM 1346 CG ASP A 86 -10.335 -0.752 -11.167 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -9.633 -0.638 -12.194 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -11.190 0.091 -10.825 1.00 0.00 O ATOM 0 H ASP A 86 -10.924 -3.871 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.731 -2.857 -11.433 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.470 -1.751 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.075 -2.210 -10.236 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.557 -4.727 -12.665 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.788 -5.585 -13.560 1.00 0.00 C ATOM 1355 C LEU A 87 -8.834 -4.761 -14.418 1.00 0.00 C ATOM 1356 O LEU A 87 -7.846 -5.279 -14.937 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.729 -6.393 -14.456 1.00 0.00 C ATOM 1358 CG LEU A 87 -11.152 -7.763 -13.922 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -12.489 -7.666 -13.205 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -11.223 -8.777 -15.054 1.00 0.00 C ATOM 0 H LEU A 87 -11.556 -4.695 -12.866 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.199 -6.270 -12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.627 -5.801 -14.633 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.245 -6.535 -15.422 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.403 -8.100 -13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.774 -8.650 -12.832 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.404 -6.972 -12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.249 -7.307 -13.899 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.525 -9.746 -14.656 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.951 -8.445 -15.794 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.243 -8.867 -15.524 1.00 0.00 H new ATOM 1372 N GLU A 88 -9.135 -3.474 -14.560 1.00 0.00 N ATOM 1373 CA GLU A 88 -8.303 -2.578 -15.354 1.00 0.00 C ATOM 1374 C GLU A 88 -6.834 -2.707 -14.959 1.00 0.00 C ATOM 1375 O GLU A 88 -5.973 -2.949 -15.803 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.764 -1.129 -15.180 1.00 0.00 C ATOM 1377 CG GLU A 88 -8.343 -0.216 -16.319 1.00 0.00 C ATOM 1378 CD GLU A 88 -8.407 1.252 -15.943 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -8.819 1.556 -14.805 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -8.045 2.096 -16.789 1.00 0.00 O ATOM 0 H GLU A 88 -9.949 -3.029 -14.136 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.406 -2.861 -16.402 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.850 -1.110 -15.093 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.362 -0.738 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.326 -0.465 -16.623 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.986 -0.395 -17.180 1.00 0.00 H new ATOM 1387 N ALA A 89 -6.558 -2.542 -13.669 1.00 0.00 N ATOM 1388 CA ALA A 89 -5.196 -2.641 -13.161 1.00 0.00 C ATOM 1389 C ALA A 89 -4.635 -4.045 -13.363 1.00 0.00 C ATOM 1390 O ALA A 89 -3.455 -4.215 -13.671 1.00 0.00 O ATOM 1391 CB ALA A 89 -5.152 -2.260 -11.689 1.00 0.00 C ATOM 0 H ALA A 89 -7.260 -2.339 -12.957 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.574 -1.945 -13.724 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.128 -2.339 -11.323 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.503 -1.235 -11.568 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.793 -2.933 -11.120 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.488 -5.049 -13.187 1.00 0.00 N ATOM 1398 CA PHE A 90 -5.077 -6.438 -13.348 1.00 0.00 C ATOM 1399 C PHE A 90 -4.467 -6.668 -14.728 1.00 0.00 C ATOM 1400 O PHE A 90 -3.657 -7.576 -14.916 1.00 0.00 O ATOM 1401 CB PHE A 90 -6.271 -7.373 -13.144 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.926 -8.827 -13.290 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.745 -9.328 -12.768 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -6.784 -9.693 -13.950 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -4.425 -10.667 -12.900 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -6.469 -11.032 -14.085 1.00 0.00 C ATOM 1407 CZ PHE A 90 -5.287 -11.519 -13.561 1.00 0.00 C ATOM 0 H PHE A 90 -6.468 -4.926 -12.933 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.321 -6.656 -12.594 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.688 -7.205 -12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.049 -7.118 -13.864 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.066 -8.665 -12.252 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.708 -9.317 -14.363 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.502 -11.046 -12.486 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.146 -11.697 -14.600 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.038 -12.564 -13.668 1.00 0.00 H new ATOM 1417 N TRP A 91 -4.862 -5.841 -15.688 1.00 0.00 N ATOM 1418 CA TRP A 91 -4.355 -5.954 -17.051 1.00 0.00 C ATOM 1419 C TRP A 91 -2.920 -5.448 -17.142 1.00 0.00 C ATOM 1420 O TRP A 91 -2.085 -6.039 -17.826 1.00 0.00 O ATOM 1421 CB TRP A 91 -5.247 -5.170 -18.015 1.00 0.00 C ATOM 1422 CG TRP A 91 -4.838 -5.312 -19.450 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -5.316 -6.219 -20.353 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -3.867 -4.523 -20.147 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -4.700 -6.041 -21.568 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -3.808 -5.007 -21.468 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -3.044 -3.454 -19.783 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -2.957 -4.458 -22.424 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -2.200 -2.911 -20.733 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -2.162 -3.412 -22.041 1.00 0.00 C ATOM 0 H TRP A 91 -5.532 -5.085 -15.549 1.00 0.00 H new ATOM 0 HA TRP A 91 -4.367 -7.008 -17.330 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.277 -5.509 -17.903 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -5.227 -4.115 -17.741 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -6.067 -6.966 -20.143 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -4.878 -6.590 -22.409 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.067 -3.059 -18.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.926 -4.844 -23.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.558 -2.086 -20.462 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -1.493 -2.964 -22.761 1.00 0.00 H new ATOM 1441 N ALA A 92 -2.639 -4.350 -16.447 1.00 0.00 N ATOM 1442 CA ALA A 92 -1.303 -3.766 -16.448 1.00 0.00 C ATOM 1443 C ALA A 92 -0.325 -4.631 -15.660 1.00 0.00 C ATOM 1444 O ALA A 92 0.779 -4.917 -16.123 1.00 0.00 O ATOM 1445 CB ALA A 92 -1.343 -2.357 -15.877 1.00 0.00 C ATOM 0 H ALA A 92 -3.319 -3.847 -15.876 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.955 -3.718 -17.480 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.339 -1.933 -15.884 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.003 -1.737 -16.484 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.716 -2.390 -14.853 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.738 -5.045 -14.466 1.00 0.00 N ATOM 1452 CA VAL A 93 0.101 -5.878 -13.613 1.00 0.00 C ATOM 1453 C VAL A 93 0.471 -7.182 -14.311 1.00 0.00 C ATOM 1454 O VAL A 93 1.645 -7.540 -14.402 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.599 -6.203 -12.281 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.130 -7.321 -11.552 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -0.690 -4.958 -11.410 1.00 0.00 C ATOM 0 H VAL A 93 -1.649 -4.817 -14.068 1.00 0.00 H new ATOM 0 HA VAL A 93 1.007 -5.308 -13.409 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.612 -6.543 -12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.380 -7.536 -10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.138 -8.216 -12.174 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.155 -7.013 -11.346 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.188 -5.206 -10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.313 -4.586 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.261 -4.190 -11.932 1.00 0.00 H new ATOM 1467 N LYS A 94 -0.540 -7.889 -14.805 1.00 0.00 N ATOM 1468 CA LYS A 94 -0.323 -9.154 -15.498 1.00 0.00 C ATOM 1469 C LYS A 94 0.598 -8.965 -16.699 1.00 0.00 C ATOM 1470 O LYS A 94 1.428 -9.823 -16.999 1.00 0.00 O ATOM 1471 CB LYS A 94 -1.659 -9.745 -15.954 1.00 0.00 C ATOM 1472 CG LYS A 94 -1.516 -10.832 -17.004 1.00 0.00 C ATOM 1473 CD LYS A 94 -1.787 -10.298 -18.401 1.00 0.00 C ATOM 1474 CE LYS A 94 -3.255 -10.437 -18.776 1.00 0.00 C ATOM 1475 NZ LYS A 94 -3.613 -9.580 -19.939 1.00 0.00 N ATOM 0 H LYS A 94 -1.518 -7.607 -14.738 1.00 0.00 H new ATOM 0 HA LYS A 94 0.154 -9.844 -14.802 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.180 -10.154 -15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.283 -8.946 -16.353 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.510 -11.249 -16.962 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.208 -11.645 -16.784 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.495 -9.249 -18.454 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.173 -10.837 -19.123 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.473 -11.479 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.875 -10.167 -17.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.621 -9.703 -20.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.429 -8.583 -19.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.039 -9.854 -20.762 1.00 0.00 H new ATOM 1489 N LYS A 95 0.446 -7.836 -17.383 1.00 0.00 N ATOM 1490 CA LYS A 95 1.265 -7.533 -18.551 1.00 0.00 C ATOM 1491 C LYS A 95 2.750 -7.616 -18.210 1.00 0.00 C ATOM 1492 O LYS A 95 3.581 -7.889 -19.076 1.00 0.00 O ATOM 1493 CB LYS A 95 0.931 -6.138 -19.085 1.00 0.00 C ATOM 1494 CG LYS A 95 1.425 -5.895 -20.501 1.00 0.00 C ATOM 1495 CD LYS A 95 2.795 -5.238 -20.508 1.00 0.00 C ATOM 1496 CE LYS A 95 2.686 -3.721 -20.494 1.00 0.00 C ATOM 1497 NZ LYS A 95 3.971 -3.076 -20.108 1.00 0.00 N ATOM 0 H LYS A 95 -0.237 -7.116 -17.149 1.00 0.00 H new ATOM 0 HA LYS A 95 1.045 -8.273 -19.321 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.149 -5.996 -19.057 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.368 -5.390 -18.423 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.472 -6.842 -21.039 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.714 -5.262 -21.032 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.364 -5.571 -19.640 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.348 -5.556 -21.392 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.385 -3.369 -21.481 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.904 -3.420 -19.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.855 -2.042 -20.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.245 -3.391 -19.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.711 -3.343 -20.788 1.00 0.00 H new ATOM 1511 N ALA A 96 3.076 -7.380 -16.943 1.00 0.00 N ATOM 1512 CA ALA A 96 4.460 -7.432 -16.488 1.00 0.00 C ATOM 1513 C ALA A 96 4.943 -8.872 -16.366 1.00 0.00 C ATOM 1514 O ALA A 96 6.132 -9.154 -16.521 1.00 0.00 O ATOM 1515 CB ALA A 96 4.605 -6.709 -15.157 1.00 0.00 C ATOM 0 H ALA A 96 2.401 -7.151 -16.214 1.00 0.00 H new ATOM 0 HA ALA A 96 5.081 -6.930 -17.231 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.643 -6.756 -14.829 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.308 -5.667 -15.275 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.968 -7.186 -14.413 1.00 0.00 H new ATOM 1521 N PHE A 97 4.016 -9.781 -16.085 1.00 0.00 N ATOM 1522 CA PHE A 97 4.348 -11.194 -15.940 1.00 0.00 C ATOM 1523 C PHE A 97 4.759 -11.797 -17.280 1.00 0.00 C ATOM 1524 O PHE A 97 5.692 -12.596 -17.353 1.00 0.00 O ATOM 1525 CB PHE A 97 3.157 -11.964 -15.365 1.00 0.00 C ATOM 1526 CG PHE A 97 3.258 -12.207 -13.886 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.030 -11.180 -12.984 1.00 0.00 C ATOM 1528 CD2 PHE A 97 3.581 -13.463 -13.398 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.123 -11.401 -11.623 1.00 0.00 C ATOM 1530 CE2 PHE A 97 3.675 -13.690 -12.037 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.445 -12.658 -11.149 1.00 0.00 C ATOM 0 H PHE A 97 3.028 -9.565 -15.953 1.00 0.00 H new ATOM 0 HA PHE A 97 5.190 -11.274 -15.252 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.242 -11.410 -15.572 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.072 -12.922 -15.878 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.777 -10.196 -13.349 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.761 -14.274 -14.088 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.944 -10.592 -10.931 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.928 -14.673 -11.669 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.517 -12.833 -10.086 1.00 0.00 H new ATOM 1541 N GLU A 98 4.054 -11.407 -18.338 1.00 0.00 N ATOM 1542 CA GLU A 98 4.344 -11.911 -19.675 1.00 0.00 C ATOM 1543 C GLU A 98 5.600 -11.255 -20.242 1.00 0.00 C ATOM 1544 O GLU A 98 6.376 -11.892 -20.955 1.00 0.00 O ATOM 1545 CB GLU A 98 3.158 -11.657 -20.608 1.00 0.00 C ATOM 1546 CG GLU A 98 2.656 -10.223 -20.579 1.00 0.00 C ATOM 1547 CD GLU A 98 1.739 -9.902 -21.743 1.00 0.00 C ATOM 1548 OE1 GLU A 98 0.894 -10.757 -22.085 1.00 0.00 O ATOM 1549 OE2 GLU A 98 1.866 -8.798 -22.312 1.00 0.00 O ATOM 0 H GLU A 98 3.279 -10.745 -18.295 1.00 0.00 H new ATOM 0 HA GLU A 98 4.516 -12.985 -19.602 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.448 -11.911 -21.628 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.341 -12.324 -20.333 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.125 -10.047 -19.644 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.508 -9.543 -20.595 1.00 0.00 H new ATOM 1556 N GLN A 99 5.792 -9.980 -19.921 1.00 0.00 N ATOM 1557 CA GLN A 99 6.952 -9.238 -20.400 1.00 0.00 C ATOM 1558 C GLN A 99 8.204 -9.624 -19.619 1.00 0.00 C ATOM 1559 O GLN A 99 9.305 -9.651 -20.168 1.00 0.00 O ATOM 1560 CB GLN A 99 6.706 -7.733 -20.281 1.00 0.00 C ATOM 1561 CG GLN A 99 5.669 -7.208 -21.260 1.00 0.00 C ATOM 1562 CD GLN A 99 6.270 -6.823 -22.598 1.00 0.00 C ATOM 1563 OE1 GLN A 99 7.490 -6.752 -22.745 1.00 0.00 O ATOM 1564 NE2 GLN A 99 5.415 -6.573 -23.582 1.00 0.00 N ATOM 0 H GLN A 99 5.159 -9.439 -19.331 1.00 0.00 H new ATOM 0 HA GLN A 99 7.107 -9.491 -21.449 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.383 -7.505 -19.265 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.646 -7.206 -20.442 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.904 -7.969 -21.415 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.172 -6.340 -20.826 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.411 -6.644 -23.416 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.762 -6.310 -24.504 1.00 0.00 H new ATOM 1573 N ALA A 100 8.028 -9.920 -18.336 1.00 0.00 N ATOM 1574 CA ALA A 100 9.143 -10.305 -17.480 1.00 0.00 C ATOM 1575 C ALA A 100 9.778 -11.606 -17.958 1.00 0.00 C ATOM 1576 O ALA A 100 10.999 -11.758 -17.936 1.00 0.00 O ATOM 1577 CB ALA A 100 8.679 -10.441 -16.037 1.00 0.00 C ATOM 0 H ALA A 100 7.123 -9.901 -17.866 1.00 0.00 H new ATOM 0 HA ALA A 100 9.898 -9.521 -17.535 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.522 -10.729 -15.409 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.279 -9.488 -15.692 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.903 -11.204 -15.975 1.00 0.00 H new ATOM 1583 N GLY A 101 8.940 -12.545 -18.390 1.00 0.00 N ATOM 1584 CA GLY A 101 9.439 -13.821 -18.867 1.00 0.00 C ATOM 1585 C GLY A 101 10.199 -13.696 -20.172 1.00 0.00 C ATOM 1586 O GLY A 101 10.982 -14.576 -20.531 1.00 0.00 O ATOM 0 H GLY A 101 7.925 -12.444 -18.418 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.091 -14.258 -18.111 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.603 -14.507 -19.002 1.00 0.00 H new ATOM 1590 N LYS A 102 9.968 -12.600 -20.887 1.00 0.00 N ATOM 1591 CA LYS A 102 10.636 -12.362 -22.161 1.00 0.00 C ATOM 1592 C LYS A 102 12.099 -11.987 -21.946 1.00 0.00 C ATOM 1593 O LYS A 102 12.988 -12.512 -22.615 1.00 0.00 O ATOM 1594 CB LYS A 102 9.922 -11.251 -22.935 1.00 0.00 C ATOM 1595 CG LYS A 102 10.677 -10.787 -24.168 1.00 0.00 C ATOM 1596 CD LYS A 102 11.432 -9.495 -23.906 1.00 0.00 C ATOM 1597 CE LYS A 102 11.523 -8.638 -25.159 1.00 0.00 C ATOM 1598 NZ LYS A 102 12.015 -7.265 -24.858 1.00 0.00 N ATOM 0 H LYS A 102 9.323 -11.862 -20.605 1.00 0.00 H new ATOM 0 HA LYS A 102 10.597 -13.284 -22.741 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.936 -11.605 -23.235 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.767 -10.400 -22.272 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.377 -11.562 -24.480 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.977 -10.640 -24.991 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.932 -8.934 -23.116 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.435 -9.725 -23.548 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.191 -9.114 -25.877 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.542 -8.577 -25.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.063 -6.713 -25.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.364 -6.801 -24.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.962 -7.321 -24.433 1.00 0.00 H new ATOM 1612 N GLU A 103 12.340 -11.076 -21.008 1.00 0.00 N ATOM 1613 CA GLU A 103 13.696 -10.633 -20.706 1.00 0.00 C ATOM 1614 C GLU A 103 14.400 -11.624 -19.784 1.00 0.00 C ATOM 1615 O GLU A 103 15.580 -11.927 -19.964 1.00 0.00 O ATOM 1616 CB GLU A 103 13.670 -9.246 -20.058 1.00 0.00 C ATOM 1617 CG GLU A 103 12.875 -9.194 -18.765 1.00 0.00 C ATOM 1618 CD GLU A 103 12.755 -7.787 -18.210 1.00 0.00 C ATOM 1619 OE1 GLU A 103 11.861 -7.044 -18.665 1.00 0.00 O ATOM 1620 OE2 GLU A 103 13.556 -7.431 -17.321 1.00 0.00 O ATOM 0 H GLU A 103 11.615 -10.631 -20.445 1.00 0.00 H new ATOM 0 HA GLU A 103 14.250 -10.579 -21.643 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.693 -8.928 -19.859 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.246 -8.532 -20.764 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.878 -9.598 -18.939 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.353 -9.834 -18.023 1.00 0.00 H new ATOM 1627 N LEU A 104 13.668 -12.126 -18.795 1.00 0.00 N ATOM 1628 CA LEU A 104 14.221 -13.083 -17.843 1.00 0.00 C ATOM 1629 C LEU A 104 14.426 -14.445 -18.498 1.00 0.00 C ATOM 1630 O LEU A 104 15.241 -15.247 -18.044 1.00 0.00 O ATOM 1631 CB LEU A 104 13.297 -13.220 -16.632 1.00 0.00 C ATOM 1632 CG LEU A 104 13.225 -12.009 -15.702 1.00 0.00 C ATOM 1633 CD1 LEU A 104 11.830 -11.871 -15.112 1.00 0.00 C ATOM 1634 CD2 LEU A 104 14.265 -12.123 -14.597 1.00 0.00 C ATOM 0 H LEU A 104 12.690 -11.886 -18.632 1.00 0.00 H new ATOM 0 HA LEU A 104 15.190 -12.710 -17.512 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.291 -13.438 -16.991 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.621 -14.082 -16.049 1.00 0.00 H new ATOM 0 HG LEU A 104 13.440 -11.114 -16.285 1.00 0.00 H new ATOM 0 HD11 LEU A 104 11.798 -11.004 -14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.106 -11.742 -15.916 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.585 -12.768 -14.543 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.199 -11.252 -13.944 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.081 -13.027 -14.016 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.261 -12.172 -15.038 1.00 0.00 H new ATOM 1646 N GLY A 105 13.682 -14.699 -19.570 1.00 0.00 N ATOM 1647 CA GLY A 105 13.798 -15.964 -20.271 1.00 0.00 C ATOM 1648 C GLY A 105 12.905 -17.038 -19.682 1.00 0.00 C ATOM 1649 O GLY A 105 12.719 -18.097 -20.282 1.00 0.00 O ATOM 0 H GLY A 105 13.001 -14.051 -19.966 1.00 0.00 H new ATOM 0 HA2 GLY A 105 13.542 -15.819 -21.321 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.834 -16.300 -20.239 1.00 0.00 H new ATOM 1653 N ILE A 106 12.353 -16.766 -18.504 1.00 0.00 N ATOM 1654 CA ILE A 106 11.476 -17.718 -17.834 1.00 0.00 C ATOM 1655 C ILE A 106 10.132 -17.823 -18.547 1.00 0.00 C ATOM 1656 O ILE A 106 9.442 -16.823 -18.746 1.00 0.00 O ATOM 1657 CB ILE A 106 11.236 -17.324 -16.365 1.00 0.00 C ATOM 1658 CG1 ILE A 106 12.456 -17.680 -15.513 1.00 0.00 C ATOM 1659 CG2 ILE A 106 9.990 -18.012 -15.829 1.00 0.00 C ATOM 1660 CD1 ILE A 106 13.529 -16.614 -15.519 1.00 0.00 C ATOM 0 H ILE A 106 12.498 -15.894 -17.994 1.00 0.00 H new ATOM 0 HA ILE A 106 11.977 -18.685 -17.865 1.00 0.00 H new ATOM 0 HB ILE A 106 11.083 -16.246 -16.314 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.134 -17.854 -14.486 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.882 -18.615 -15.876 1.00 0.00 H new ATOM 0 HG21 ILE A 106 9.834 -17.724 -14.790 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.126 -17.713 -16.422 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.116 -19.093 -15.890 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.363 -16.934 -14.895 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.879 -16.456 -16.539 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.119 -15.683 -15.128 1.00 0.00 H new ATOM 1672 N LYS A 107 9.764 -19.041 -18.928 1.00 0.00 N ATOM 1673 CA LYS A 107 8.501 -19.280 -19.616 1.00 0.00 C ATOM 1674 C LYS A 107 7.325 -18.782 -18.782 1.00 0.00 C ATOM 1675 O LYS A 107 7.231 -19.070 -17.588 1.00 0.00 O ATOM 1676 CB LYS A 107 8.333 -20.771 -19.915 1.00 0.00 C ATOM 1677 CG LYS A 107 8.840 -21.177 -21.288 1.00 0.00 C ATOM 1678 CD LYS A 107 10.251 -21.738 -21.218 1.00 0.00 C ATOM 1679 CE LYS A 107 11.292 -20.662 -21.486 1.00 0.00 C ATOM 1680 NZ LYS A 107 11.712 -20.641 -22.914 1.00 0.00 N ATOM 0 H LYS A 107 10.323 -19.879 -18.772 1.00 0.00 H new ATOM 0 HA LYS A 107 8.518 -18.728 -20.555 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.863 -21.347 -19.156 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.278 -21.032 -19.835 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.172 -21.923 -21.718 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.823 -20.314 -21.953 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.422 -22.174 -20.234 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.361 -22.542 -21.946 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.886 -19.688 -21.212 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.163 -20.834 -20.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.422 -19.894 -23.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.122 -21.562 -23.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.885 -20.452 -23.516 1.00 0.00 H new ATOM 1694 N LEU A 108 6.429 -18.035 -19.418 1.00 0.00 N ATOM 1695 CA LEU A 108 5.258 -17.498 -18.735 1.00 0.00 C ATOM 1696 C LEU A 108 4.125 -17.233 -19.722 1.00 0.00 C ATOM 1697 O LEU A 108 4.302 -16.515 -20.706 1.00 0.00 O ATOM 1698 CB LEU A 108 5.619 -16.207 -17.998 1.00 0.00 C ATOM 1699 CG LEU A 108 4.781 -15.883 -16.761 1.00 0.00 C ATOM 1700 CD1 LEU A 108 3.297 -15.953 -17.088 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.122 -16.832 -15.621 1.00 0.00 C ATOM 0 H LEU A 108 6.491 -17.788 -20.406 1.00 0.00 H new ATOM 0 HA LEU A 108 4.919 -18.240 -18.011 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.665 -16.264 -17.698 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.533 -15.376 -18.698 1.00 0.00 H new ATOM 0 HG LEU A 108 5.015 -14.867 -16.444 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.716 -15.719 -16.196 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.063 -15.233 -17.872 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.047 -16.957 -17.431 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.516 -16.586 -14.749 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.917 -17.858 -15.928 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.178 -16.733 -15.368 1.00 0.00 H new ATOM 2062 N HIS A 133 -4.128 -17.349 -13.370 1.00 0.00 N ATOM 2063 CA HIS A 133 -3.156 -18.370 -12.994 1.00 0.00 C ATOM 2064 C HIS A 133 -2.025 -18.446 -14.014 1.00 0.00 C ATOM 2065 O HIS A 133 -2.265 -18.580 -15.214 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.839 -19.733 -12.870 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.923 -20.821 -12.401 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -2.024 -20.656 -11.369 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.773 -22.097 -12.828 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -1.358 -21.781 -11.183 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.794 -22.672 -12.056 1.00 0.00 N ATOM 0 HA HIS A 133 -2.732 -18.095 -12.028 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.676 -19.649 -12.176 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -4.255 -20.011 -13.838 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.894 -19.798 -10.833 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -3.321 -22.574 -13.627 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.588 -21.945 -10.443 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.790 -18.360 -13.529 1.00 0.00 N ATOM 2080 CA VAL A 134 0.379 -18.419 -14.399 1.00 0.00 C ATOM 2081 C VAL A 134 1.085 -19.764 -14.279 1.00 0.00 C ATOM 2082 O VAL A 134 1.275 -20.280 -13.178 1.00 0.00 O ATOM 2083 CB VAL A 134 1.380 -17.295 -14.071 1.00 0.00 C ATOM 2084 CG1 VAL A 134 0.678 -15.945 -14.047 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.072 -17.569 -12.744 1.00 0.00 C ATOM 0 H VAL A 134 -0.573 -18.249 -12.538 1.00 0.00 H new ATOM 0 HA VAL A 134 0.021 -18.290 -15.420 1.00 0.00 H new ATOM 0 HB VAL A 134 2.140 -17.269 -14.852 1.00 0.00 H new ATOM 0 HG11 VAL A 134 1.401 -15.163 -13.814 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.233 -15.749 -15.023 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -0.104 -15.955 -13.287 1.00 0.00 H new ATOM 0 HG21 VAL A 134 2.776 -16.765 -12.528 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.327 -17.623 -11.950 1.00 0.00 H new ATOM 0 HG23 VAL A 134 2.609 -18.516 -12.802 1.00 0.00 H new ATOM 2095 N GLU A 135 1.473 -20.326 -15.419 1.00 0.00 N ATOM 2096 CA GLU A 135 2.159 -21.613 -15.441 1.00 0.00 C ATOM 2097 C GLU A 135 3.310 -21.599 -16.443 1.00 0.00 C ATOM 2098 O GLU A 135 3.419 -20.691 -17.269 1.00 0.00 O ATOM 2099 CB GLU A 135 1.178 -22.733 -15.792 1.00 0.00 C ATOM 2100 CG GLU A 135 0.777 -22.755 -17.257 1.00 0.00 C ATOM 2101 CD GLU A 135 -0.586 -23.383 -17.480 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -0.656 -24.624 -17.593 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -1.581 -22.632 -17.541 1.00 0.00 O ATOM 0 H GLU A 135 1.324 -19.911 -16.339 1.00 0.00 H new ATOM 0 HA GLU A 135 2.567 -21.795 -14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.627 -23.692 -15.533 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.282 -22.625 -15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.771 -21.736 -17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.525 -23.307 -17.826 1.00 0.00 H new ATOM 2110 N LEU A 136 4.168 -22.610 -16.364 1.00 0.00 N ATOM 2111 CA LEU A 136 5.312 -22.715 -17.263 1.00 0.00 C ATOM 2112 C LEU A 136 4.908 -23.357 -18.586 1.00 0.00 C ATOM 2113 O LEU A 136 4.448 -24.498 -18.621 1.00 0.00 O ATOM 2114 CB LEU A 136 6.427 -23.531 -16.607 1.00 0.00 C ATOM 2115 CG LEU A 136 7.415 -22.746 -15.744 1.00 0.00 C ATOM 2116 CD1 LEU A 136 8.460 -23.676 -15.147 1.00 0.00 C ATOM 2117 CD2 LEU A 136 8.081 -21.648 -16.560 1.00 0.00 C ATOM 0 H LEU A 136 4.093 -23.369 -15.687 1.00 0.00 H new ATOM 0 HA LEU A 136 5.677 -21.708 -17.466 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.969 -24.303 -15.989 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.986 -24.041 -17.391 1.00 0.00 H new ATOM 0 HG LEU A 136 6.863 -22.281 -14.927 1.00 0.00 H new ATOM 0 HD11 LEU A 136 9.154 -23.099 -14.536 1.00 0.00 H new ATOM 0 HD12 LEU A 136 7.968 -24.426 -14.527 1.00 0.00 H new ATOM 0 HD13 LEU A 136 9.008 -24.171 -15.949 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.781 -21.100 -15.929 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.619 -22.092 -17.398 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.321 -20.964 -16.938 1.00 0.00 H new ATOM 2129 N VAL A 137 5.084 -22.615 -19.676 1.00 0.00 N ATOM 2130 CA VAL A 137 4.741 -23.112 -21.003 1.00 0.00 C ATOM 2131 C VAL A 137 5.994 -23.417 -21.816 1.00 0.00 C ATOM 2132 O VAL A 137 5.879 -23.775 -22.987 1.00 0.00 O ATOM 2133 CB VAL A 137 3.875 -22.099 -21.775 1.00 0.00 C ATOM 2134 CG1 VAL A 137 2.464 -22.061 -21.207 1.00 0.00 C ATOM 2135 CG2 VAL A 137 4.510 -20.718 -21.738 1.00 0.00 C ATOM 0 H VAL A 137 5.462 -21.668 -19.665 1.00 0.00 H new ATOM 0 HA VAL A 137 4.172 -24.030 -20.860 1.00 0.00 H new ATOM 0 HB VAL A 137 3.814 -22.418 -22.816 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.867 -21.340 -21.765 1.00 0.00 H new ATOM 0 HG12 VAL A 137 2.011 -23.049 -21.291 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.502 -21.767 -20.158 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.885 -20.015 -22.288 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.603 -20.388 -20.703 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.498 -20.760 -22.196 1.00 0.00 H new