USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 33 THR OG1 : rot -56:sc= 1.98 USER MOD Set 1.2: A 35 THR OG1 : rot 10:sc= 0.6 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 145:sc= -0.225 (180deg=-0.346) USER MOD Single : A 13 ASN : amide:sc= 0.468 K(o=0.47,f=-0.61) USER MOD Single : A 17 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 25 TYR OH : rot -140:sc= -0.0222 USER MOD Single : A 26 SER OG : rot -130:sc= -0.223 USER MOD Single : A 37 THR OG1 : rot 176:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 47 GLN : amide:sc= 0.436 K(o=0.44,f=-0.093) USER MOD Single : A 48 ASN : amide:sc= 0.38 K(o=0.38,f=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= -0.101 (180deg=-0.858) USER MOD Single : A 61 THR OG1 : rot 63:sc= 0.624 USER MOD Single : A 65 GLN : amide:sc= -0.612 K(o=-0.61,f=-0.11) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -164:sc= 1.24 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -57:sc= 1.22 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.292 -13.292 -14.069 1.00 0.00 N ATOM 2 CA GLY A 1 -6.203 -12.623 -14.792 1.00 0.00 C ATOM 3 C GLY A 1 -4.855 -13.053 -14.239 1.00 0.00 C ATOM 4 O GLY A 1 -4.584 -14.250 -14.105 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.207 -12.987 -14.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.197 -14.322 -14.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.245 -13.041 -13.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.261 -12.864 -15.853 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.311 -11.542 -14.704 1.00 0.00 H new ATOM 8 N SER A 2 -3.994 -12.081 -13.924 1.00 0.00 N ATOM 9 CA SER A 2 -2.674 -12.303 -13.340 1.00 0.00 C ATOM 10 C SER A 2 -2.807 -13.086 -12.030 1.00 0.00 C ATOM 11 O SER A 2 -3.709 -12.779 -11.241 1.00 0.00 O ATOM 12 CB SER A 2 -1.990 -10.944 -13.136 1.00 0.00 C ATOM 13 OG SER A 2 -2.856 -9.983 -12.536 1.00 0.00 O ATOM 0 H SER A 2 -4.204 -11.094 -14.073 1.00 0.00 H new ATOM 0 HA SER A 2 -2.055 -12.901 -14.008 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.108 -11.075 -12.509 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.644 -10.566 -14.098 1.00 0.00 H new ATOM 0 HG SER A 2 -2.377 -9.135 -12.425 1.00 0.00 H new ATOM 19 N SER A 3 -1.948 -14.087 -11.801 1.00 0.00 N ATOM 20 CA SER A 3 -1.972 -14.854 -10.560 1.00 0.00 C ATOM 21 C SER A 3 -1.713 -13.901 -9.383 1.00 0.00 C ATOM 22 O SER A 3 -0.982 -12.914 -9.520 1.00 0.00 O ATOM 23 CB SER A 3 -0.958 -16.009 -10.631 1.00 0.00 C ATOM 24 OG SER A 3 -1.543 -17.248 -10.254 1.00 0.00 O ATOM 0 H SER A 3 -1.229 -14.381 -12.462 1.00 0.00 H new ATOM 0 HA SER A 3 -2.950 -15.312 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.565 -16.086 -11.645 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.113 -15.792 -9.977 1.00 0.00 H new ATOM 0 HG SER A 3 -0.871 -17.959 -10.313 1.00 0.00 H new ATOM 30 N GLY A 4 -2.354 -14.152 -8.242 1.00 0.00 N ATOM 31 CA GLY A 4 -2.422 -13.221 -7.124 1.00 0.00 C ATOM 32 C GLY A 4 -1.371 -13.533 -6.070 1.00 0.00 C ATOM 33 O GLY A 4 -0.976 -14.686 -5.891 1.00 0.00 O ATOM 0 H GLY A 4 -2.849 -15.027 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.282 -12.203 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.414 -13.264 -6.674 1.00 0.00 H new ATOM 37 N SER A 5 -0.937 -12.503 -5.346 1.00 0.00 N ATOM 38 CA SER A 5 -0.042 -12.627 -4.208 1.00 0.00 C ATOM 39 C SER A 5 -0.760 -13.323 -3.050 1.00 0.00 C ATOM 40 O SER A 5 -1.615 -12.716 -2.397 1.00 0.00 O ATOM 41 CB SER A 5 0.441 -11.230 -3.800 1.00 0.00 C ATOM 42 OG SER A 5 1.314 -10.708 -4.784 1.00 0.00 O ATOM 0 H SER A 5 -1.207 -11.539 -5.543 1.00 0.00 H new ATOM 0 HA SER A 5 0.822 -13.234 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.413 -10.565 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.953 -11.281 -2.839 1.00 0.00 H new ATOM 0 HG SER A 5 1.615 -9.815 -4.514 1.00 0.00 H new ATOM 48 N SER A 6 -0.414 -14.580 -2.777 1.00 0.00 N ATOM 49 CA SER A 6 -0.724 -15.217 -1.504 1.00 0.00 C ATOM 50 C SER A 6 0.099 -14.599 -0.374 1.00 0.00 C ATOM 51 O SER A 6 1.128 -13.970 -0.626 1.00 0.00 O ATOM 52 CB SER A 6 -0.427 -16.711 -1.597 1.00 0.00 C ATOM 53 OG SER A 6 -1.285 -17.335 -2.536 1.00 0.00 O ATOM 0 H SER A 6 0.087 -15.181 -3.431 1.00 0.00 H new ATOM 0 HA SER A 6 -1.781 -15.063 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.612 -16.863 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.553 -17.174 -0.618 1.00 0.00 H new ATOM 0 HG SER A 6 -1.078 -18.292 -2.583 1.00 0.00 H new ATOM 59 N GLY A 7 -0.325 -14.837 0.870 1.00 0.00 N ATOM 60 CA GLY A 7 0.295 -14.360 2.097 1.00 0.00 C ATOM 61 C GLY A 7 0.352 -12.837 2.122 1.00 0.00 C ATOM 62 O GLY A 7 -0.591 -12.192 2.587 1.00 0.00 O ATOM 0 H GLY A 7 -1.156 -15.399 1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.268 -14.721 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.303 -14.767 2.182 1.00 0.00 H new ATOM 66 N PHE A 8 1.419 -12.282 1.551 1.00 0.00 N ATOM 67 CA PHE A 8 1.789 -10.878 1.467 1.00 0.00 C ATOM 68 C PHE A 8 0.592 -9.929 1.368 1.00 0.00 C ATOM 69 O PHE A 8 0.510 -8.977 2.132 1.00 0.00 O ATOM 70 CB PHE A 8 2.732 -10.712 0.267 1.00 0.00 C ATOM 71 CG PHE A 8 3.220 -9.293 0.078 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.224 -8.792 0.925 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.644 -8.463 -0.902 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.648 -7.460 0.801 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.079 -7.133 -1.027 1.00 0.00 C ATOM 76 CZ PHE A 8 4.079 -6.634 -0.178 1.00 0.00 C ATOM 0 H PHE A 8 2.114 -12.868 1.090 1.00 0.00 H new ATOM 0 HA PHE A 8 2.286 -10.599 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.592 -11.370 0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.217 -11.035 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.669 -9.433 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.873 -8.846 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.412 -7.072 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.642 -6.492 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.411 -5.611 -0.279 1.00 0.00 H new ATOM 86 N LYS A 9 -0.339 -10.165 0.433 1.00 0.00 N ATOM 87 CA LYS A 9 -1.426 -9.226 0.135 1.00 0.00 C ATOM 88 C LYS A 9 -2.312 -8.937 1.349 1.00 0.00 C ATOM 89 O LYS A 9 -2.782 -7.810 1.489 1.00 0.00 O ATOM 90 CB LYS A 9 -2.267 -9.801 -1.024 1.00 0.00 C ATOM 91 CG LYS A 9 -3.231 -8.821 -1.730 1.00 0.00 C ATOM 92 CD LYS A 9 -2.831 -8.669 -3.206 1.00 0.00 C ATOM 93 CE LYS A 9 -3.694 -7.783 -4.123 1.00 0.00 C ATOM 94 NZ LYS A 9 -4.340 -6.634 -3.464 1.00 0.00 N ATOM 0 H LYS A 9 -0.359 -11.011 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.982 -8.272 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.585 -10.206 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.852 -10.637 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.255 -9.188 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.204 -7.850 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.814 -8.279 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.802 -9.667 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.068 -7.411 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.468 -8.403 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.374 -5.830 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.307 -6.893 -3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.795 -6.366 -2.620 1.00 0.00 H new ATOM 108 N ALA A 10 -2.551 -9.924 2.212 1.00 0.00 N ATOM 109 CA ALA A 10 -3.368 -9.783 3.413 1.00 0.00 C ATOM 110 C ALA A 10 -2.570 -9.072 4.492 1.00 0.00 C ATOM 111 O ALA A 10 -3.055 -8.084 5.023 1.00 0.00 O ATOM 112 CB ALA A 10 -3.811 -11.157 3.917 1.00 0.00 C ATOM 0 H ALA A 10 -2.173 -10.864 2.091 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.254 -9.196 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.420 -11.037 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.396 -11.656 3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.933 -11.759 4.153 1.00 0.00 H new ATOM 118 N GLU A 11 -1.339 -9.519 4.770 1.00 0.00 N ATOM 119 CA GLU A 11 -0.454 -8.866 5.735 1.00 0.00 C ATOM 120 C GLU A 11 -0.337 -7.379 5.406 1.00 0.00 C ATOM 121 O GLU A 11 -0.461 -6.521 6.272 1.00 0.00 O ATOM 122 CB GLU A 11 0.949 -9.482 5.709 1.00 0.00 C ATOM 123 CG GLU A 11 1.282 -10.424 6.863 1.00 0.00 C ATOM 124 CD GLU A 11 1.306 -9.738 8.242 1.00 0.00 C ATOM 125 OE1 GLU A 11 1.866 -8.627 8.340 1.00 0.00 O ATOM 126 OE2 GLU A 11 0.892 -10.373 9.247 1.00 0.00 O ATOM 0 H GLU A 11 -0.931 -10.344 4.331 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.885 -9.005 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.068 -10.028 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.680 -8.674 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.550 -11.232 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.255 -10.880 6.678 1.00 0.00 H new ATOM 133 N LEU A 12 -0.092 -7.065 4.136 1.00 0.00 N ATOM 134 CA LEU A 12 0.101 -5.701 3.683 1.00 0.00 C ATOM 135 C LEU A 12 -1.177 -4.880 3.869 1.00 0.00 C ATOM 136 O LEU A 12 -1.105 -3.747 4.335 1.00 0.00 O ATOM 137 CB LEU A 12 0.558 -5.722 2.220 1.00 0.00 C ATOM 138 CG LEU A 12 1.181 -4.374 1.818 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.583 -4.171 2.422 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.265 -4.280 0.298 1.00 0.00 C ATOM 0 H LEU A 12 -0.022 -7.759 3.392 1.00 0.00 H new ATOM 0 HA LEU A 12 0.873 -5.219 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.285 -6.521 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.291 -5.942 1.573 1.00 0.00 H new ATOM 0 HG LEU A 12 0.536 -3.589 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.978 -3.205 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.518 -4.200 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.246 -4.964 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.707 -3.324 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.884 -5.092 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.264 -4.357 -0.127 1.00 0.00 H new ATOM 152 N ASN A 13 -2.340 -5.466 3.567 1.00 0.00 N ATOM 153 CA ASN A 13 -3.657 -4.874 3.795 1.00 0.00 C ATOM 154 C ASN A 13 -3.842 -4.570 5.274 1.00 0.00 C ATOM 155 O ASN A 13 -4.135 -3.429 5.623 1.00 0.00 O ATOM 156 CB ASN A 13 -4.759 -5.843 3.330 1.00 0.00 C ATOM 157 CG ASN A 13 -5.402 -5.457 2.013 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.160 -4.500 1.928 1.00 0.00 O ATOM 159 ND2 ASN A 13 -5.106 -6.202 0.961 1.00 0.00 N ATOM 0 H ASN A 13 -2.390 -6.393 3.145 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.727 -3.948 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.334 -6.842 3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.531 -5.895 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.513 -5.984 0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.471 -6.994 1.059 1.00 0.00 H new ATOM 166 N GLU A 14 -3.726 -5.566 6.153 1.00 0.00 N ATOM 167 CA GLU A 14 -4.010 -5.395 7.573 1.00 0.00 C ATOM 168 C GLU A 14 -3.001 -4.467 8.247 1.00 0.00 C ATOM 169 O GLU A 14 -3.372 -3.699 9.131 1.00 0.00 O ATOM 170 CB GLU A 14 -4.106 -6.752 8.274 1.00 0.00 C ATOM 171 CG GLU A 14 -2.816 -7.572 8.364 1.00 0.00 C ATOM 172 CD GLU A 14 -3.059 -8.975 8.922 1.00 0.00 C ATOM 173 OE1 GLU A 14 -3.679 -9.819 8.233 1.00 0.00 O ATOM 174 OE2 GLU A 14 -2.673 -9.234 10.086 1.00 0.00 O ATOM 0 H GLU A 14 -3.433 -6.510 5.899 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.981 -4.909 7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.476 -6.587 9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.854 -7.351 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.367 -7.650 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.100 -7.050 8.998 1.00 0.00 H new ATOM 181 N PHE A 15 -1.748 -4.517 7.808 1.00 0.00 N ATOM 182 CA PHE A 15 -0.704 -3.567 8.162 1.00 0.00 C ATOM 183 C PHE A 15 -1.172 -2.142 7.842 1.00 0.00 C ATOM 184 O PHE A 15 -1.343 -1.327 8.751 1.00 0.00 O ATOM 185 CB PHE A 15 0.624 -3.915 7.461 1.00 0.00 C ATOM 186 CG PHE A 15 1.683 -2.841 7.598 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.315 -2.619 8.835 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.970 -1.996 6.510 1.00 0.00 C ATOM 189 CE1 PHE A 15 3.186 -1.529 8.994 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.831 -0.900 6.672 1.00 0.00 C ATOM 191 CZ PHE A 15 3.430 -0.660 7.917 1.00 0.00 C ATOM 0 H PHE A 15 -1.422 -5.246 7.174 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.514 -3.627 9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.009 -4.848 7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.431 -4.090 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.130 -3.287 9.663 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.525 -2.192 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.669 -1.358 9.945 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.032 -0.242 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.079 0.193 8.048 1.00 0.00 H new ATOM 201 N LEU A 16 -1.395 -1.849 6.557 1.00 0.00 N ATOM 202 CA LEU A 16 -1.760 -0.531 6.035 1.00 0.00 C ATOM 203 C LEU A 16 -3.061 -0.026 6.641 1.00 0.00 C ATOM 204 O LEU A 16 -3.155 1.152 6.975 1.00 0.00 O ATOM 205 CB LEU A 16 -1.928 -0.621 4.512 1.00 0.00 C ATOM 206 CG LEU A 16 -0.608 -0.688 3.729 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.897 -1.070 2.279 1.00 0.00 C ATOM 208 CD2 LEU A 16 0.178 0.626 3.762 1.00 0.00 C ATOM 0 H LEU A 16 -1.323 -2.554 5.823 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.965 0.166 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.521 -1.505 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.495 0.245 4.170 1.00 0.00 H new ATOM 0 HG LEU A 16 0.012 -1.442 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.039 -1.118 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.387 -2.043 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.549 -0.322 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.100 0.513 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.425 1.422 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.420 0.880 4.794 1.00 0.00 H new ATOM 220 N THR A 17 -4.035 -0.912 6.853 1.00 0.00 N ATOM 221 CA THR A 17 -5.299 -0.611 7.515 1.00 0.00 C ATOM 222 C THR A 17 -5.062 0.121 8.842 1.00 0.00 C ATOM 223 O THR A 17 -5.845 0.997 9.210 1.00 0.00 O ATOM 224 CB THR A 17 -6.069 -1.930 7.725 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.449 -2.481 6.479 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.338 -1.808 8.568 1.00 0.00 C ATOM 0 H THR A 17 -3.961 -1.886 6.559 1.00 0.00 H new ATOM 0 HA THR A 17 -5.894 0.056 6.891 1.00 0.00 H new ATOM 0 HB THR A 17 -5.370 -2.566 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.770 -3.124 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.809 -2.786 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.082 -1.434 9.559 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.029 -1.116 8.087 1.00 0.00 H new ATOM 234 N ARG A 18 -4.011 -0.244 9.581 1.00 0.00 N ATOM 235 CA ARG A 18 -3.691 0.360 10.866 1.00 0.00 C ATOM 236 C ARG A 18 -2.755 1.559 10.761 1.00 0.00 C ATOM 237 O ARG A 18 -2.684 2.316 11.727 1.00 0.00 O ATOM 238 CB ARG A 18 -3.099 -0.719 11.782 1.00 0.00 C ATOM 239 CG ARG A 18 -4.206 -1.574 12.427 1.00 0.00 C ATOM 240 CD ARG A 18 -4.312 -2.978 11.840 1.00 0.00 C ATOM 241 NE ARG A 18 -4.883 -3.887 12.838 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.688 -5.202 12.921 1.00 0.00 C ATOM 243 NH1 ARG A 18 -4.106 -5.870 11.928 1.00 0.00 N ATOM 244 NH2 ARG A 18 -5.078 -5.812 14.029 1.00 0.00 N ATOM 0 H ARG A 18 -3.357 -0.973 9.297 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.616 0.754 11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.430 -1.360 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.499 -0.249 12.561 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.018 -1.650 13.498 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.163 -1.066 12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.937 -2.963 10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.327 -3.330 11.534 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.492 -3.470 13.541 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.803 -5.375 11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.963 -6.877 12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.511 -5.276 14.781 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.946 -6.818 14.131 1.00 0.00 H new ATOM 258 N GLU A 19 -2.062 1.750 9.645 1.00 0.00 N ATOM 259 CA GLU A 19 -1.167 2.883 9.411 1.00 0.00 C ATOM 260 C GLU A 19 -1.886 4.074 8.757 1.00 0.00 C ATOM 261 O GLU A 19 -1.337 5.178 8.775 1.00 0.00 O ATOM 262 CB GLU A 19 0.003 2.401 8.530 1.00 0.00 C ATOM 263 CG GLU A 19 1.198 1.840 9.323 1.00 0.00 C ATOM 264 CD GLU A 19 1.955 2.844 10.212 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.705 4.068 10.179 1.00 0.00 O ATOM 266 OE2 GLU A 19 2.812 2.400 11.015 1.00 0.00 O ATOM 0 H GLU A 19 -2.106 1.106 8.855 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.799 3.242 10.372 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.362 1.631 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.347 3.233 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.839 1.027 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.906 1.407 8.616 1.00 0.00 H new ATOM 273 N LEU A 20 -3.078 3.855 8.181 1.00 0.00 N ATOM 274 CA LEU A 20 -3.810 4.817 7.356 1.00 0.00 C ATOM 275 C LEU A 20 -5.311 4.842 7.694 1.00 0.00 C ATOM 276 O LEU A 20 -6.158 4.954 6.802 1.00 0.00 O ATOM 277 CB LEU A 20 -3.583 4.473 5.871 1.00 0.00 C ATOM 278 CG LEU A 20 -2.126 4.587 5.395 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.020 3.948 4.011 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.655 6.046 5.336 1.00 0.00 C ATOM 0 H LEU A 20 -3.573 2.969 8.283 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.430 5.817 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.930 3.455 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.201 5.132 5.262 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.483 4.071 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.992 4.019 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.312 2.899 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.680 4.469 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.620 6.081 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.285 6.604 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.725 6.491 6.328 1.00 0.00 H new ATOM 292 N ALA A 21 -5.672 4.688 8.973 1.00 0.00 N ATOM 293 CA ALA A 21 -7.062 4.557 9.407 1.00 0.00 C ATOM 294 C ALA A 21 -7.920 5.742 8.937 1.00 0.00 C ATOM 295 O ALA A 21 -8.906 5.565 8.210 1.00 0.00 O ATOM 296 CB ALA A 21 -7.113 4.408 10.934 1.00 0.00 C ATOM 0 H ALA A 21 -5.000 4.651 9.740 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.483 3.662 8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.150 4.311 11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.556 3.520 11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.670 5.288 11.400 1.00 0.00 H new ATOM 302 N GLU A 22 -7.563 6.946 9.385 1.00 0.00 N ATOM 303 CA GLU A 22 -8.343 8.151 9.171 1.00 0.00 C ATOM 304 C GLU A 22 -8.209 8.675 7.745 1.00 0.00 C ATOM 305 O GLU A 22 -9.051 9.458 7.302 1.00 0.00 O ATOM 306 CB GLU A 22 -7.905 9.223 10.171 1.00 0.00 C ATOM 307 CG GLU A 22 -8.220 8.816 11.617 1.00 0.00 C ATOM 308 CD GLU A 22 -8.011 9.980 12.578 1.00 0.00 C ATOM 309 OE1 GLU A 22 -6.857 10.384 12.817 1.00 0.00 O ATOM 310 OE2 GLU A 22 -9.022 10.520 13.094 1.00 0.00 O ATOM 0 H GLU A 22 -6.707 7.107 9.916 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.393 7.904 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.834 9.400 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.407 10.162 9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.251 8.468 11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.583 7.981 11.909 1.00 0.00 H new ATOM 317 N ASP A 23 -7.205 8.210 7.005 1.00 0.00 N ATOM 318 CA ASP A 23 -6.904 8.631 5.645 1.00 0.00 C ATOM 319 C ASP A 23 -7.983 8.236 4.656 1.00 0.00 C ATOM 320 O ASP A 23 -7.979 8.716 3.523 1.00 0.00 O ATOM 321 CB ASP A 23 -5.630 7.958 5.144 1.00 0.00 C ATOM 322 CG ASP A 23 -4.403 8.372 5.950 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.351 7.998 7.142 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.539 9.099 5.421 1.00 0.00 O ATOM 0 H ASP A 23 -6.556 7.503 7.352 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.813 9.716 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.748 6.876 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.476 8.211 4.095 1.00 0.00 H new ATOM 329 N GLY A 24 -8.882 7.326 5.031 1.00 0.00 N ATOM 330 CA GLY A 24 -9.796 6.781 4.054 1.00 0.00 C ATOM 331 C GLY A 24 -9.143 5.664 3.254 1.00 0.00 C ATOM 332 O GLY A 24 -9.429 5.511 2.067 1.00 0.00 O ATOM 0 H GLY A 24 -8.989 6.965 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.685 6.400 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.125 7.571 3.379 1.00 0.00 H new ATOM 336 N TYR A 25 -8.241 4.902 3.880 1.00 0.00 N ATOM 337 CA TYR A 25 -7.730 3.671 3.320 1.00 0.00 C ATOM 338 C TYR A 25 -8.869 2.731 2.917 1.00 0.00 C ATOM 339 O TYR A 25 -9.890 2.649 3.611 1.00 0.00 O ATOM 340 CB TYR A 25 -6.817 3.009 4.350 1.00 0.00 C ATOM 341 CG TYR A 25 -6.152 1.758 3.846 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.095 1.880 2.933 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.620 0.492 4.235 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.477 0.730 2.422 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.003 -0.665 3.729 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.931 -0.545 2.824 1.00 0.00 C ATOM 347 OH TYR A 25 -4.335 -1.661 2.342 1.00 0.00 O ATOM 0 H TYR A 25 -7.850 5.133 4.793 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.164 3.893 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.050 3.721 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.400 2.768 5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.757 2.858 2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.451 0.408 4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.658 0.819 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.350 -1.642 4.033 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.016 -2.339 2.151 1.00 0.00 H new ATOM 357 N SER A 26 -8.657 2.001 1.825 1.00 0.00 N ATOM 358 CA SER A 26 -9.614 1.086 1.225 1.00 0.00 C ATOM 359 C SER A 26 -8.990 -0.297 1.047 1.00 0.00 C ATOM 360 O SER A 26 -9.614 -1.295 1.417 1.00 0.00 O ATOM 361 CB SER A 26 -10.048 1.637 -0.137 1.00 0.00 C ATOM 362 OG SER A 26 -10.789 2.841 -0.020 1.00 0.00 O ATOM 0 H SER A 26 -7.774 2.035 1.315 1.00 0.00 H new ATOM 0 HA SER A 26 -10.480 0.993 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.166 1.814 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.652 0.890 -0.653 1.00 0.00 H new ATOM 0 HG SER A 26 -11.613 2.770 -0.545 1.00 0.00 H new ATOM 368 N GLY A 27 -7.777 -0.363 0.493 1.00 0.00 N ATOM 369 CA GLY A 27 -7.110 -1.603 0.126 1.00 0.00 C ATOM 370 C GLY A 27 -5.747 -1.276 -0.472 1.00 0.00 C ATOM 371 O GLY A 27 -5.228 -0.175 -0.288 1.00 0.00 O ATOM 0 H GLY A 27 -7.223 0.467 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.993 -2.241 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.714 -2.156 -0.593 1.00 0.00 H new ATOM 375 N VAL A 28 -5.129 -2.216 -1.178 1.00 0.00 N ATOM 376 CA VAL A 28 -3.794 -2.044 -1.741 1.00 0.00 C ATOM 377 C VAL A 28 -3.686 -2.936 -2.983 1.00 0.00 C ATOM 378 O VAL A 28 -4.412 -3.929 -3.087 1.00 0.00 O ATOM 379 CB VAL A 28 -2.754 -2.359 -0.636 1.00 0.00 C ATOM 380 CG1 VAL A 28 -3.000 -3.686 0.104 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.308 -2.331 -1.122 1.00 0.00 C ATOM 0 H VAL A 28 -5.543 -3.126 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.598 -1.023 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.903 -1.540 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.228 -3.830 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.978 -3.659 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.969 -4.511 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.641 -2.561 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.175 -3.072 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.074 -1.340 -1.512 1.00 0.00 H new ATOM 391 N GLU A 29 -2.764 -2.638 -3.896 1.00 0.00 N ATOM 392 CA GLU A 29 -2.394 -3.443 -5.055 1.00 0.00 C ATOM 393 C GLU A 29 -0.875 -3.635 -5.073 1.00 0.00 C ATOM 394 O GLU A 29 -0.134 -2.922 -4.393 1.00 0.00 O ATOM 395 CB GLU A 29 -2.927 -2.793 -6.344 1.00 0.00 C ATOM 396 CG GLU A 29 -4.421 -3.111 -6.496 1.00 0.00 C ATOM 397 CD GLU A 29 -5.100 -2.484 -7.717 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.651 -1.435 -8.226 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.128 -3.050 -8.169 1.00 0.00 O ATOM 0 H GLU A 29 -2.223 -1.775 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.850 -4.431 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.775 -1.714 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.375 -3.165 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.542 -4.193 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.941 -2.775 -5.599 1.00 0.00 H new ATOM 406 N VAL A 30 -0.414 -4.682 -5.756 1.00 0.00 N ATOM 407 CA VAL A 30 0.985 -5.088 -5.800 1.00 0.00 C ATOM 408 C VAL A 30 1.361 -5.634 -7.181 1.00 0.00 C ATOM 409 O VAL A 30 0.662 -6.500 -7.722 1.00 0.00 O ATOM 410 CB VAL A 30 1.239 -6.072 -4.642 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.284 -7.276 -4.603 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.702 -6.534 -4.586 1.00 0.00 C ATOM 0 H VAL A 30 -1.022 -5.286 -6.308 1.00 0.00 H new ATOM 0 HA VAL A 30 1.643 -4.231 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 30 1.022 -5.492 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.537 -7.914 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.742 -6.923 -4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.379 -7.846 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.833 -7.226 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.962 -7.034 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.351 -5.670 -4.445 1.00 0.00 H new ATOM 422 N ARG A 31 2.509 -5.208 -7.715 1.00 0.00 N ATOM 423 CA ARG A 31 3.074 -5.697 -8.974 1.00 0.00 C ATOM 424 C ARG A 31 4.462 -6.278 -8.735 1.00 0.00 C ATOM 425 O ARG A 31 5.129 -5.929 -7.757 1.00 0.00 O ATOM 426 CB ARG A 31 3.166 -4.539 -9.984 1.00 0.00 C ATOM 427 CG ARG A 31 1.861 -4.266 -10.723 1.00 0.00 C ATOM 428 CD ARG A 31 2.036 -3.031 -11.617 1.00 0.00 C ATOM 429 NE ARG A 31 0.846 -2.770 -12.437 1.00 0.00 N ATOM 430 CZ ARG A 31 0.300 -3.532 -13.387 1.00 0.00 C ATOM 431 NH1 ARG A 31 0.936 -4.590 -13.889 1.00 0.00 N ATOM 432 NH2 ARG A 31 -0.906 -3.220 -13.839 1.00 0.00 N ATOM 0 H ARG A 31 3.086 -4.494 -7.271 1.00 0.00 H new ATOM 0 HA ARG A 31 2.426 -6.478 -9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.472 -3.634 -9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.945 -4.764 -10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.583 -5.130 -11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.053 -4.102 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.245 -2.161 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.899 -3.174 -12.267 1.00 0.00 H new ATOM 0 HE ARG A 31 0.372 -1.885 -12.256 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.865 -4.836 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.494 -5.154 -14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.399 -2.411 -13.461 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.342 -3.789 -14.565 1.00 0.00 H new ATOM 446 N VAL A 32 4.918 -7.080 -9.697 1.00 0.00 N ATOM 447 CA VAL A 32 6.303 -7.497 -9.880 1.00 0.00 C ATOM 448 C VAL A 32 6.727 -7.000 -11.263 1.00 0.00 C ATOM 449 O VAL A 32 5.955 -7.102 -12.227 1.00 0.00 O ATOM 450 CB VAL A 32 6.428 -9.019 -9.692 1.00 0.00 C ATOM 451 CG1 VAL A 32 5.647 -9.822 -10.744 1.00 0.00 C ATOM 452 CG2 VAL A 32 7.890 -9.484 -9.692 1.00 0.00 C ATOM 0 H VAL A 32 4.298 -7.475 -10.404 1.00 0.00 H new ATOM 0 HA VAL A 32 6.974 -7.068 -9.136 1.00 0.00 H new ATOM 0 HB VAL A 32 5.988 -9.217 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.775 -10.888 -10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.589 -9.568 -10.684 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.022 -9.580 -11.738 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.928 -10.565 -9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.356 -9.221 -10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.427 -8.997 -8.878 1.00 0.00 H new ATOM 462 N THR A 33 7.905 -6.391 -11.351 1.00 0.00 N ATOM 463 CA THR A 33 8.602 -6.084 -12.589 1.00 0.00 C ATOM 464 C THR A 33 9.992 -6.746 -12.562 1.00 0.00 C ATOM 465 O THR A 33 10.435 -7.150 -11.480 1.00 0.00 O ATOM 466 CB THR A 33 8.651 -4.559 -12.762 1.00 0.00 C ATOM 467 OG1 THR A 33 9.427 -3.993 -11.732 1.00 0.00 O ATOM 468 CG2 THR A 33 7.272 -3.882 -12.779 1.00 0.00 C ATOM 0 H THR A 33 8.419 -6.086 -10.525 1.00 0.00 H new ATOM 0 HA THR A 33 8.080 -6.488 -13.457 1.00 0.00 H new ATOM 0 HB THR A 33 9.096 -4.382 -13.741 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.065 -4.264 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.396 -2.806 -12.905 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.682 -4.278 -13.606 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.758 -4.080 -11.839 1.00 0.00 H new ATOM 476 N PRO A 34 10.751 -6.765 -13.675 1.00 0.00 N ATOM 477 CA PRO A 34 12.171 -7.112 -13.654 1.00 0.00 C ATOM 478 C PRO A 34 13.048 -5.987 -13.073 1.00 0.00 C ATOM 479 O PRO A 34 14.282 -6.082 -13.110 1.00 0.00 O ATOM 480 CB PRO A 34 12.524 -7.420 -15.112 1.00 0.00 C ATOM 481 CG PRO A 34 11.558 -6.565 -15.923 1.00 0.00 C ATOM 482 CD PRO A 34 10.324 -6.440 -15.030 1.00 0.00 C ATOM 0 HA PRO A 34 12.361 -7.963 -13.000 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.561 -7.166 -15.332 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.401 -8.480 -15.336 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.985 -5.588 -16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.314 -7.035 -16.876 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.915 -5.431 -15.075 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.537 -7.118 -15.361 1.00 0.00 H new ATOM 490 N THR A 35 12.451 -4.898 -12.574 1.00 0.00 N ATOM 491 CA THR A 35 13.176 -3.754 -12.054 1.00 0.00 C ATOM 492 C THR A 35 13.059 -3.695 -10.534 1.00 0.00 C ATOM 493 O THR A 35 14.100 -3.703 -9.872 1.00 0.00 O ATOM 494 CB THR A 35 12.804 -2.479 -12.825 1.00 0.00 C ATOM 495 OG1 THR A 35 11.414 -2.282 -12.924 1.00 0.00 O ATOM 496 CG2 THR A 35 13.319 -2.585 -14.264 1.00 0.00 C ATOM 0 H THR A 35 11.438 -4.795 -12.524 1.00 0.00 H new ATOM 0 HA THR A 35 14.246 -3.859 -12.232 1.00 0.00 H new ATOM 0 HB THR A 35 13.250 -1.652 -12.272 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.951 -2.915 -12.336 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.056 -1.681 -14.812 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.403 -2.701 -14.255 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.866 -3.449 -14.750 1.00 0.00 H new ATOM 504 N ARG A 36 11.850 -3.689 -9.965 1.00 0.00 N ATOM 505 CA ARG A 36 11.638 -3.698 -8.514 1.00 0.00 C ATOM 506 C ARG A 36 10.242 -4.197 -8.151 1.00 0.00 C ATOM 507 O ARG A 36 9.367 -4.274 -9.021 1.00 0.00 O ATOM 508 CB ARG A 36 11.890 -2.292 -7.948 1.00 0.00 C ATOM 509 CG ARG A 36 11.047 -1.173 -8.569 1.00 0.00 C ATOM 510 CD ARG A 36 11.398 0.163 -7.905 1.00 0.00 C ATOM 511 NE ARG A 36 12.795 0.566 -8.136 1.00 0.00 N ATOM 512 CZ ARG A 36 13.295 1.022 -9.289 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.509 1.239 -10.342 1.00 0.00 N ATOM 514 NH2 ARG A 36 14.592 1.239 -9.399 1.00 0.00 N ATOM 0 H ARG A 36 10.983 -3.678 -10.503 1.00 0.00 H new ATOM 0 HA ARG A 36 12.347 -4.394 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.703 -2.312 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.944 -2.048 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.232 -1.117 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.986 -1.388 -8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.733 0.938 -8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.219 0.088 -6.832 1.00 0.00 H new ATOM 0 HE ARG A 36 13.438 0.491 -7.347 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.507 1.057 -10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.909 1.587 -11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.208 1.059 -8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.978 1.587 -10.277 1.00 0.00 H new ATOM 528 N THR A 37 9.982 -4.465 -6.873 1.00 0.00 N ATOM 529 CA THR A 37 8.616 -4.626 -6.398 1.00 0.00 C ATOM 530 C THR A 37 7.928 -3.258 -6.487 1.00 0.00 C ATOM 531 O THR A 37 8.571 -2.216 -6.333 1.00 0.00 O ATOM 532 CB THR A 37 8.612 -5.196 -4.967 1.00 0.00 C ATOM 533 OG1 THR A 37 9.375 -6.389 -4.914 1.00 0.00 O ATOM 534 CG2 THR A 37 7.182 -5.555 -4.539 1.00 0.00 C ATOM 0 H THR A 37 10.697 -4.574 -6.154 1.00 0.00 H new ATOM 0 HA THR A 37 8.066 -5.339 -7.012 1.00 0.00 H new ATOM 0 HB THR A 37 9.032 -4.437 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.424 -6.705 -3.988 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.195 -5.956 -3.526 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.559 -4.661 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.775 -6.303 -5.220 1.00 0.00 H new ATOM 542 N GLU A 38 6.609 -3.230 -6.664 1.00 0.00 N ATOM 543 CA GLU A 38 5.798 -2.018 -6.691 1.00 0.00 C ATOM 544 C GLU A 38 4.566 -2.298 -5.841 1.00 0.00 C ATOM 545 O GLU A 38 3.979 -3.380 -5.940 1.00 0.00 O ATOM 546 CB GLU A 38 5.403 -1.690 -8.125 1.00 0.00 C ATOM 547 CG GLU A 38 6.571 -1.211 -9.005 1.00 0.00 C ATOM 548 CD GLU A 38 6.048 -0.574 -10.293 1.00 0.00 C ATOM 549 OE1 GLU A 38 5.422 -1.249 -11.136 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.219 0.663 -10.434 1.00 0.00 O ATOM 0 H GLU A 38 6.059 -4.079 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 38 6.347 -1.161 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.959 -2.576 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.633 -0.919 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.175 -0.489 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.220 -2.052 -9.247 1.00 0.00 H new ATOM 557 N ILE A 39 4.209 -1.341 -4.989 1.00 0.00 N ATOM 558 CA ILE A 39 3.224 -1.468 -3.927 1.00 0.00 C ATOM 559 C ILE A 39 2.386 -0.183 -3.973 1.00 0.00 C ATOM 560 O ILE A 39 2.962 0.904 -3.938 1.00 0.00 O ATOM 561 CB ILE A 39 4.003 -1.681 -2.604 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.591 -3.104 -2.506 1.00 0.00 C ATOM 563 CG2 ILE A 39 3.105 -1.411 -1.406 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.587 -3.284 -1.351 1.00 0.00 C ATOM 0 H ILE A 39 4.622 -0.409 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 39 2.543 -2.313 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 39 4.832 -0.973 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.775 -3.817 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.089 -3.347 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.669 -1.566 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.748 -0.382 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.254 -2.092 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.957 -4.309 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.423 -2.597 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.089 -3.074 -0.405 1.00 0.00 H new ATOM 576 N ILE A 40 1.060 -0.281 -4.107 1.00 0.00 N ATOM 577 CA ILE A 40 0.178 0.835 -4.436 1.00 0.00 C ATOM 578 C ILE A 40 -0.991 0.845 -3.440 1.00 0.00 C ATOM 579 O ILE A 40 -1.863 -0.017 -3.526 1.00 0.00 O ATOM 580 CB ILE A 40 -0.300 0.727 -5.915 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.834 0.633 -6.969 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.155 1.961 -6.262 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.339 -0.774 -7.316 1.00 0.00 C ATOM 0 H ILE A 40 0.561 -1.162 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 40 0.709 1.783 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.858 -0.208 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.485 1.105 -7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.680 1.219 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.492 1.891 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.020 2.002 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.558 2.864 -6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.130 -0.703 -8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.730 -1.252 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.516 -1.368 -7.714 1.00 0.00 H new ATOM 595 N ILE A 41 -1.035 1.796 -2.495 1.00 0.00 N ATOM 596 CA ILE A 41 -2.215 1.988 -1.637 1.00 0.00 C ATOM 597 C ILE A 41 -3.410 2.316 -2.532 1.00 0.00 C ATOM 598 O ILE A 41 -3.266 3.086 -3.477 1.00 0.00 O ATOM 599 CB ILE A 41 -1.981 3.120 -0.600 1.00 0.00 C ATOM 600 CG1 ILE A 41 -1.079 2.651 0.557 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.293 3.635 0.020 1.00 0.00 C ATOM 602 CD1 ILE A 41 -0.039 3.686 0.986 1.00 0.00 C ATOM 0 H ILE A 41 -0.269 2.443 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.407 1.074 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.501 3.924 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.704 2.401 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.566 1.737 0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.071 4.425 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.937 4.029 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.801 2.816 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.558 3.284 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.611 3.919 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.544 4.594 1.317 1.00 0.00 H new ATOM 614 N LEU A 42 -4.592 1.813 -2.177 1.00 0.00 N ATOM 615 CA LEU A 42 -5.878 2.269 -2.677 1.00 0.00 C ATOM 616 C LEU A 42 -6.533 3.024 -1.515 1.00 0.00 C ATOM 617 O LEU A 42 -6.801 2.414 -0.473 1.00 0.00 O ATOM 618 CB LEU A 42 -6.747 1.063 -3.092 1.00 0.00 C ATOM 619 CG LEU A 42 -6.115 0.130 -4.142 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.068 -1.041 -4.397 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.764 0.894 -5.424 1.00 0.00 C ATOM 0 H LEU A 42 -4.678 1.048 -1.508 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.767 2.904 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.978 0.478 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.694 1.435 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.173 -0.268 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.632 -1.710 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.231 -1.587 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.021 -0.661 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.320 0.209 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.669 1.330 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.053 1.687 -5.192 1.00 0.00 H new ATOM 633 N ALA A 43 -6.766 4.333 -1.643 1.00 0.00 N ATOM 634 CA ALA A 43 -7.474 5.124 -0.629 1.00 0.00 C ATOM 635 C ALA A 43 -8.277 6.246 -1.288 1.00 0.00 C ATOM 636 O ALA A 43 -8.052 6.575 -2.449 1.00 0.00 O ATOM 637 CB ALA A 43 -6.452 5.731 0.334 1.00 0.00 C ATOM 0 H ALA A 43 -6.469 4.876 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.161 4.474 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.970 6.320 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.890 4.933 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.767 6.373 -0.220 1.00 0.00 H new ATOM 643 N THR A 44 -9.187 6.891 -0.565 1.00 0.00 N ATOM 644 CA THR A 44 -9.926 8.040 -1.088 1.00 0.00 C ATOM 645 C THR A 44 -9.078 9.310 -1.047 1.00 0.00 C ATOM 646 O THR A 44 -9.034 10.064 -2.024 1.00 0.00 O ATOM 647 CB THR A 44 -11.205 8.229 -0.270 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.873 8.160 1.093 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.237 7.148 -0.552 1.00 0.00 C ATOM 0 H THR A 44 -9.433 6.637 0.392 1.00 0.00 H new ATOM 0 HA THR A 44 -10.180 7.848 -2.130 1.00 0.00 H new ATOM 0 HB THR A 44 -11.635 9.193 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.682 8.281 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.126 7.327 0.053 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.506 7.169 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.819 6.172 -0.303 1.00 0.00 H new ATOM 657 N ARG A 45 -8.452 9.597 0.097 1.00 0.00 N ATOM 658 CA ARG A 45 -7.828 10.885 0.364 1.00 0.00 C ATOM 659 C ARG A 45 -6.337 10.723 0.116 1.00 0.00 C ATOM 660 O ARG A 45 -5.547 10.643 1.053 1.00 0.00 O ATOM 661 CB ARG A 45 -8.157 11.371 1.789 1.00 0.00 C ATOM 662 CG ARG A 45 -9.622 11.212 2.237 1.00 0.00 C ATOM 663 CD ARG A 45 -9.765 11.500 3.739 1.00 0.00 C ATOM 664 NE ARG A 45 -9.574 12.925 4.028 1.00 0.00 N ATOM 665 CZ ARG A 45 -10.501 13.884 3.940 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.765 13.602 3.610 1.00 0.00 N ATOM 667 NH2 ARG A 45 -10.134 15.136 4.174 1.00 0.00 N ATOM 0 H ARG A 45 -8.366 8.933 0.867 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.216 11.659 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.523 10.830 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.888 12.425 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.257 11.892 1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.966 10.200 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.752 11.187 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.035 10.913 4.295 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.642 13.213 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.039 12.638 3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.455 14.350 3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.165 15.347 4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.820 15.888 4.114 1.00 0.00 H new ATOM 681 N THR A 46 -5.931 10.648 -1.149 1.00 0.00 N ATOM 682 CA THR A 46 -4.530 10.462 -1.508 1.00 0.00 C ATOM 683 C THR A 46 -3.600 11.485 -0.823 1.00 0.00 C ATOM 684 O THR A 46 -2.501 11.117 -0.423 1.00 0.00 O ATOM 685 CB THR A 46 -4.387 10.433 -3.042 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.248 11.367 -3.680 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.742 9.048 -3.600 1.00 0.00 C ATOM 0 H THR A 46 -6.561 10.714 -1.949 1.00 0.00 H new ATOM 0 HA THR A 46 -4.198 9.497 -1.126 1.00 0.00 H new ATOM 0 HB THR A 46 -3.347 10.686 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.124 11.316 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.633 9.054 -4.685 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.073 8.301 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.772 8.804 -3.340 1.00 0.00 H new ATOM 695 N GLN A 47 -4.015 12.742 -0.614 1.00 0.00 N ATOM 696 CA GLN A 47 -3.174 13.735 0.058 1.00 0.00 C ATOM 697 C GLN A 47 -3.127 13.551 1.585 1.00 0.00 C ATOM 698 O GLN A 47 -2.182 14.040 2.216 1.00 0.00 O ATOM 699 CB GLN A 47 -3.624 15.152 -0.348 1.00 0.00 C ATOM 700 CG GLN A 47 -2.709 16.292 0.138 1.00 0.00 C ATOM 701 CD GLN A 47 -1.243 16.120 -0.274 1.00 0.00 C ATOM 702 OE1 GLN A 47 -0.848 16.486 -1.375 1.00 0.00 O ATOM 703 NE2 GLN A 47 -0.419 15.537 0.581 1.00 0.00 N ATOM 0 H GLN A 47 -4.929 13.093 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.147 13.585 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.690 15.198 -1.435 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.628 15.323 0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.080 17.238 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.767 16.355 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.760 15.237 1.494 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.557 15.388 0.327 1.00 0.00 H new ATOM 712 N ASN A 48 -4.075 12.827 2.193 1.00 0.00 N ATOM 713 CA ASN A 48 -3.868 12.307 3.542 1.00 0.00 C ATOM 714 C ASN A 48 -2.728 11.301 3.452 1.00 0.00 C ATOM 715 O ASN A 48 -1.666 11.549 4.016 1.00 0.00 O ATOM 716 CB ASN A 48 -5.133 11.718 4.186 1.00 0.00 C ATOM 717 CG ASN A 48 -6.115 12.790 4.647 1.00 0.00 C ATOM 718 OD1 ASN A 48 -6.697 13.517 3.842 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.339 12.912 5.942 1.00 0.00 N ATOM 0 H ASN A 48 -4.977 12.593 1.778 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.610 13.126 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.628 11.062 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.848 11.102 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.998 13.612 6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.853 12.306 6.603 1.00 0.00 H new ATOM 726 N VAL A 49 -2.909 10.253 2.645 1.00 0.00 N ATOM 727 CA VAL A 49 -1.995 9.115 2.555 1.00 0.00 C ATOM 728 C VAL A 49 -0.559 9.562 2.277 1.00 0.00 C ATOM 729 O VAL A 49 0.381 9.039 2.870 1.00 0.00 O ATOM 730 CB VAL A 49 -2.521 8.136 1.486 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.560 6.979 1.212 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.866 7.535 1.907 1.00 0.00 C ATOM 0 H VAL A 49 -3.713 10.171 2.023 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.963 8.601 3.515 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.627 8.728 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.986 6.325 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.607 7.373 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.401 6.413 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.215 6.848 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.745 6.995 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.596 8.334 2.039 1.00 0.00 H new ATOM 742 N LEU A 50 -0.363 10.505 1.358 1.00 0.00 N ATOM 743 CA LEU A 50 0.964 10.961 0.978 1.00 0.00 C ATOM 744 C LEU A 50 1.615 11.742 2.115 1.00 0.00 C ATOM 745 O LEU A 50 2.805 11.567 2.371 1.00 0.00 O ATOM 746 CB LEU A 50 0.871 11.809 -0.298 1.00 0.00 C ATOM 747 CG LEU A 50 0.524 10.954 -1.535 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.020 11.856 -2.663 1.00 0.00 C ATOM 749 CD2 LEU A 50 1.731 10.130 -1.991 1.00 0.00 C ATOM 0 H LEU A 50 -1.121 10.971 0.859 1.00 0.00 H new ATOM 0 HA LEU A 50 1.594 10.095 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.113 12.581 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.820 12.319 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.267 10.254 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.224 11.248 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.871 12.389 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.795 12.575 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.458 9.537 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.552 10.799 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.044 9.466 -1.185 1.00 0.00 H new ATOM 761 N GLY A 51 0.860 12.597 2.804 1.00 0.00 N ATOM 762 CA GLY A 51 1.403 13.508 3.797 1.00 0.00 C ATOM 763 C GLY A 51 2.185 14.654 3.159 1.00 0.00 C ATOM 764 O GLY A 51 2.322 14.738 1.933 1.00 0.00 O ATOM 0 H GLY A 51 -0.150 12.673 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.590 13.915 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.056 12.958 4.475 1.00 0.00 H new ATOM 768 N GLU A 52 2.697 15.553 4.001 1.00 0.00 N ATOM 769 CA GLU A 52 3.435 16.734 3.570 1.00 0.00 C ATOM 770 C GLU A 52 4.673 16.321 2.770 1.00 0.00 C ATOM 771 O GLU A 52 5.558 15.624 3.274 1.00 0.00 O ATOM 772 CB GLU A 52 3.803 17.613 4.774 1.00 0.00 C ATOM 773 CG GLU A 52 4.569 18.850 4.285 1.00 0.00 C ATOM 774 CD GLU A 52 4.736 19.919 5.361 1.00 0.00 C ATOM 775 OE1 GLU A 52 5.334 19.626 6.419 1.00 0.00 O ATOM 776 OE2 GLU A 52 4.325 21.075 5.106 1.00 0.00 O ATOM 0 H GLU A 52 2.608 15.477 5.014 1.00 0.00 H new ATOM 0 HA GLU A 52 2.798 17.330 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.901 17.916 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.414 17.048 5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.553 18.543 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.044 19.281 3.433 1.00 0.00 H new ATOM 783 N LYS A 53 4.734 16.750 1.507 1.00 0.00 N ATOM 784 CA LYS A 53 5.785 16.427 0.546 1.00 0.00 C ATOM 785 C LYS A 53 6.065 14.921 0.472 1.00 0.00 C ATOM 786 O LYS A 53 7.198 14.514 0.211 1.00 0.00 O ATOM 787 CB LYS A 53 7.030 17.286 0.838 1.00 0.00 C ATOM 788 CG LYS A 53 6.797 18.781 0.579 1.00 0.00 C ATOM 789 CD LYS A 53 7.914 19.410 -0.260 1.00 0.00 C ATOM 790 CE LYS A 53 7.931 18.862 -1.700 1.00 0.00 C ATOM 791 NZ LYS A 53 9.011 17.880 -1.936 1.00 0.00 N ATOM 0 H LYS A 53 4.018 17.359 1.111 1.00 0.00 H new ATOM 0 HA LYS A 53 5.445 16.682 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.328 17.144 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.858 16.940 0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.844 18.914 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.723 19.305 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.783 20.492 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.876 19.216 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.970 18.395 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.045 19.692 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.357 17.972 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.793 18.058 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.644 16.918 -1.788 1.00 0.00 H new ATOM 805 N GLY A 54 5.042 14.087 0.681 1.00 0.00 N ATOM 806 CA GLY A 54 5.193 12.643 0.648 1.00 0.00 C ATOM 807 C GLY A 54 5.700 12.064 1.971 1.00 0.00 C ATOM 808 O GLY A 54 6.259 10.969 1.974 1.00 0.00 O ATOM 0 H GLY A 54 4.091 14.400 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.233 12.188 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.886 12.374 -0.149 1.00 0.00 H new ATOM 812 N ARG A 55 5.537 12.771 3.099 1.00 0.00 N ATOM 813 CA ARG A 55 5.989 12.295 4.405 1.00 0.00 C ATOM 814 C ARG A 55 5.499 10.893 4.729 1.00 0.00 C ATOM 815 O ARG A 55 6.335 10.008 4.903 1.00 0.00 O ATOM 816 CB ARG A 55 5.634 13.279 5.540 1.00 0.00 C ATOM 817 CG ARG A 55 6.904 14.007 5.983 1.00 0.00 C ATOM 818 CD ARG A 55 6.785 14.724 7.331 1.00 0.00 C ATOM 819 NE ARG A 55 8.104 14.705 7.971 1.00 0.00 N ATOM 820 CZ ARG A 55 9.165 15.425 7.599 1.00 0.00 C ATOM 821 NH1 ARG A 55 9.011 16.589 6.975 1.00 0.00 N ATOM 822 NH2 ARG A 55 10.379 14.958 7.846 1.00 0.00 N ATOM 0 H ARG A 55 5.088 13.687 3.127 1.00 0.00 H new ATOM 0 HA ARG A 55 7.076 12.243 4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.889 13.997 5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.195 12.742 6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.720 13.287 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.175 14.737 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.445 15.750 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.048 14.229 7.963 1.00 0.00 H new ATOM 0 HE ARG A 55 8.222 14.086 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.075 16.941 6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.829 17.130 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.494 14.059 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.199 15.497 7.568 1.00 0.00 H new ATOM 836 N ARG A 56 4.182 10.688 4.848 1.00 0.00 N ATOM 837 CA ARG A 56 3.679 9.393 5.293 1.00 0.00 C ATOM 838 C ARG A 56 4.070 8.317 4.289 1.00 0.00 C ATOM 839 O ARG A 56 4.455 7.246 4.731 1.00 0.00 O ATOM 840 CB ARG A 56 2.159 9.390 5.565 1.00 0.00 C ATOM 841 CG ARG A 56 1.822 8.881 6.976 1.00 0.00 C ATOM 842 CD ARG A 56 1.976 9.973 8.041 1.00 0.00 C ATOM 843 NE ARG A 56 2.045 9.413 9.398 1.00 0.00 N ATOM 844 CZ ARG A 56 1.815 10.071 10.542 1.00 0.00 C ATOM 845 NH1 ARG A 56 1.329 11.309 10.555 1.00 0.00 N ATOM 846 NH2 ARG A 56 2.069 9.460 11.687 1.00 0.00 N ATOM 0 H ARG A 56 3.465 11.385 4.647 1.00 0.00 H new ATOM 0 HA ARG A 56 4.145 9.175 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.768 10.400 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.661 8.763 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.799 8.505 6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.473 8.042 7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.879 10.550 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.135 10.664 7.976 1.00 0.00 H new ATOM 0 HE ARG A 56 2.292 8.427 9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.120 11.784 9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.165 11.783 11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.432 8.507 11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.901 9.942 12.570 1.00 0.00 H new ATOM 860 N ILE A 57 4.024 8.571 2.976 1.00 0.00 N ATOM 861 CA ILE A 57 4.372 7.524 2.016 1.00 0.00 C ATOM 862 C ILE A 57 5.844 7.101 2.156 1.00 0.00 C ATOM 863 O ILE A 57 6.148 5.907 2.148 1.00 0.00 O ATOM 864 CB ILE A 57 3.923 7.887 0.592 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.126 6.671 -0.328 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.588 9.150 0.027 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.185 6.712 -1.527 1.00 0.00 C ATOM 0 H ILE A 57 3.757 9.466 2.565 1.00 0.00 H new ATOM 0 HA ILE A 57 3.805 6.624 2.254 1.00 0.00 H new ATOM 0 HB ILE A 57 2.864 8.139 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.159 6.645 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.957 5.754 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.217 9.337 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.351 10.002 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.668 9.009 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.357 5.837 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.152 6.712 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.372 7.616 -2.106 1.00 0.00 H new ATOM 879 N ARG A 58 6.777 8.050 2.307 1.00 0.00 N ATOM 880 CA ARG A 58 8.182 7.714 2.478 1.00 0.00 C ATOM 881 C ARG A 58 8.434 7.033 3.819 1.00 0.00 C ATOM 882 O ARG A 58 9.206 6.080 3.871 1.00 0.00 O ATOM 883 CB ARG A 58 9.054 8.961 2.265 1.00 0.00 C ATOM 884 CG ARG A 58 10.313 8.559 1.491 1.00 0.00 C ATOM 885 CD ARG A 58 11.079 9.771 0.958 1.00 0.00 C ATOM 886 NE ARG A 58 11.792 10.513 2.011 1.00 0.00 N ATOM 887 CZ ARG A 58 12.063 11.824 2.019 1.00 0.00 C ATOM 888 NH1 ARG A 58 11.455 12.665 1.190 1.00 0.00 N ATOM 889 NH2 ARG A 58 12.967 12.306 2.860 1.00 0.00 N ATOM 0 H ARG A 58 6.578 9.050 2.313 1.00 0.00 H new ATOM 0 HA ARG A 58 8.466 6.987 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.499 9.720 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.326 9.400 3.225 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.966 7.977 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.034 7.913 0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.796 9.439 0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.382 10.443 0.457 1.00 0.00 H new ATOM 0 HE ARG A 58 12.112 9.974 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.763 12.316 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.680 13.660 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.455 11.678 3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.175 13.305 2.868 1.00 0.00 H new ATOM 903 N GLU A 59 7.758 7.468 4.883 1.00 0.00 N ATOM 904 CA GLU A 59 7.779 6.776 6.161 1.00 0.00 C ATOM 905 C GLU A 59 7.330 5.329 5.966 1.00 0.00 C ATOM 906 O GLU A 59 8.035 4.409 6.379 1.00 0.00 O ATOM 907 CB GLU A 59 6.869 7.489 7.176 1.00 0.00 C ATOM 908 CG GLU A 59 7.632 8.468 8.079 1.00 0.00 C ATOM 909 CD GLU A 59 6.933 8.711 9.424 1.00 0.00 C ATOM 910 OE1 GLU A 59 6.323 7.778 10.000 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.133 9.805 10.006 1.00 0.00 O ATOM 0 H GLU A 59 7.182 8.310 4.878 1.00 0.00 H new ATOM 0 HA GLU A 59 8.796 6.785 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.089 8.030 6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.371 6.744 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.634 8.080 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.748 9.419 7.559 1.00 0.00 H new ATOM 918 N LEU A 60 6.178 5.110 5.322 1.00 0.00 N ATOM 919 CA LEU A 60 5.650 3.772 5.085 1.00 0.00 C ATOM 920 C LEU A 60 6.576 2.949 4.207 1.00 0.00 C ATOM 921 O LEU A 60 6.582 1.738 4.379 1.00 0.00 O ATOM 922 CB LEU A 60 4.214 3.781 4.536 1.00 0.00 C ATOM 923 CG LEU A 60 3.142 4.265 5.539 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.757 3.892 5.006 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.291 3.683 6.952 1.00 0.00 C ATOM 0 H LEU A 60 5.590 5.858 4.953 1.00 0.00 H new ATOM 0 HA LEU A 60 5.602 3.290 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.181 4.420 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.958 2.773 4.210 1.00 0.00 H new ATOM 0 HG LEU A 60 3.274 5.343 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.994 4.230 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.598 4.370 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.691 2.810 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.500 4.074 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.218 2.596 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.261 3.965 7.361 1.00 0.00 H new ATOM 937 N THR A 61 7.394 3.555 3.343 1.00 0.00 N ATOM 938 CA THR A 61 8.409 2.819 2.600 1.00 0.00 C ATOM 939 C THR A 61 9.373 2.182 3.601 1.00 0.00 C ATOM 940 O THR A 61 9.598 0.974 3.552 1.00 0.00 O ATOM 941 CB THR A 61 9.126 3.737 1.594 1.00 0.00 C ATOM 942 OG1 THR A 61 8.179 4.434 0.801 1.00 0.00 O ATOM 943 CG2 THR A 61 10.056 2.956 0.658 1.00 0.00 C ATOM 0 H THR A 61 7.370 4.555 3.143 1.00 0.00 H new ATOM 0 HA THR A 61 7.947 2.028 2.010 1.00 0.00 H new ATOM 0 HB THR A 61 9.724 4.435 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.641 5.019 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.539 3.646 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.815 2.441 1.246 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.475 2.225 0.095 1.00 0.00 H new ATOM 951 N ALA A 62 9.889 2.971 4.547 1.00 0.00 N ATOM 952 CA ALA A 62 10.829 2.513 5.552 1.00 0.00 C ATOM 953 C ALA A 62 10.218 1.468 6.483 1.00 0.00 C ATOM 954 O ALA A 62 10.865 0.452 6.760 1.00 0.00 O ATOM 955 CB ALA A 62 11.318 3.719 6.352 1.00 0.00 C ATOM 0 H ALA A 62 9.656 3.961 4.630 1.00 0.00 H new ATOM 0 HA ALA A 62 11.665 2.030 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.026 3.389 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.808 4.426 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.469 4.205 6.834 1.00 0.00 H new ATOM 961 N VAL A 63 9.002 1.688 6.995 1.00 0.00 N ATOM 962 CA VAL A 63 8.398 0.688 7.866 1.00 0.00 C ATOM 963 C VAL A 63 8.052 -0.572 7.063 1.00 0.00 C ATOM 964 O VAL A 63 8.323 -1.653 7.569 1.00 0.00 O ATOM 965 CB VAL A 63 7.267 1.248 8.756 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.196 2.039 8.034 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.555 0.152 9.538 1.00 0.00 C ATOM 0 H VAL A 63 8.437 2.521 6.827 1.00 0.00 H new ATOM 0 HA VAL A 63 9.136 0.379 8.606 1.00 0.00 H new ATOM 0 HB VAL A 63 7.806 1.930 9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.453 2.385 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.649 2.898 7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.714 1.404 7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.768 0.594 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.116 -0.564 8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.271 -0.359 10.182 1.00 0.00 H new ATOM 977 N VAL A 64 7.560 -0.497 5.819 1.00 0.00 N ATOM 978 CA VAL A 64 7.363 -1.689 4.983 1.00 0.00 C ATOM 979 C VAL A 64 8.696 -2.412 4.782 1.00 0.00 C ATOM 980 O VAL A 64 8.753 -3.634 4.913 1.00 0.00 O ATOM 981 CB VAL A 64 6.676 -1.325 3.646 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.880 -2.360 2.529 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.170 -1.145 3.892 1.00 0.00 C ATOM 0 H VAL A 64 7.291 0.378 5.369 1.00 0.00 H new ATOM 0 HA VAL A 64 6.690 -2.377 5.495 1.00 0.00 H new ATOM 0 HB VAL A 64 7.145 -0.404 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.366 -2.028 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.945 -2.467 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.474 -3.321 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.676 -0.888 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.751 -2.074 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.013 -0.346 4.616 1.00 0.00 H new ATOM 993 N GLN A 65 9.772 -1.676 4.510 1.00 0.00 N ATOM 994 CA GLN A 65 11.111 -2.219 4.371 1.00 0.00 C ATOM 995 C GLN A 65 11.510 -3.031 5.614 1.00 0.00 C ATOM 996 O GLN A 65 12.037 -4.131 5.451 1.00 0.00 O ATOM 997 CB GLN A 65 12.081 -1.064 4.062 1.00 0.00 C ATOM 998 CG GLN A 65 12.287 -0.857 2.558 1.00 0.00 C ATOM 999 CD GLN A 65 13.244 0.292 2.233 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.035 1.025 1.268 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.303 0.507 3.003 1.00 0.00 N ATOM 0 H GLN A 65 9.731 -0.665 4.378 1.00 0.00 H new ATOM 0 HA GLN A 65 11.150 -2.923 3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.697 -0.144 4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.043 -1.266 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.673 -1.778 2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.323 -0.662 2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.482 -0.098 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.938 1.277 2.793 1.00 0.00 H new ATOM 1010 N LYS A 66 11.177 -2.580 6.832 1.00 0.00 N ATOM 1011 CA LYS A 66 11.358 -3.343 8.056 1.00 0.00 C ATOM 1012 C LYS A 66 10.403 -4.542 8.038 1.00 0.00 C ATOM 1013 O LYS A 66 10.863 -5.684 7.972 1.00 0.00 O ATOM 1014 CB LYS A 66 11.171 -2.362 9.233 1.00 0.00 C ATOM 1015 CG LYS A 66 10.867 -3.028 10.575 1.00 0.00 C ATOM 1016 CD LYS A 66 10.579 -1.973 11.652 1.00 0.00 C ATOM 1017 CE LYS A 66 10.480 -2.544 13.073 1.00 0.00 C ATOM 1018 NZ LYS A 66 9.270 -3.365 13.275 1.00 0.00 N ATOM 0 H LYS A 66 10.768 -1.658 6.987 1.00 0.00 H new ATOM 0 HA LYS A 66 12.353 -3.776 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.076 -1.763 9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.360 -1.675 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.009 -3.692 10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.712 -3.645 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.366 -1.220 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.645 -1.466 11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.363 -3.149 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.481 -1.724 13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.254 -3.725 14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.424 -2.784 13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.279 -4.165 12.611 1.00 0.00 H new ATOM 1032 N ARG A 67 9.092 -4.282 8.076 1.00 0.00 N ATOM 1033 CA ARG A 67 8.005 -5.234 8.320 1.00 0.00 C ATOM 1034 C ARG A 67 8.051 -6.407 7.345 1.00 0.00 C ATOM 1035 O ARG A 67 7.770 -7.534 7.730 1.00 0.00 O ATOM 1036 CB ARG A 67 6.663 -4.469 8.224 1.00 0.00 C ATOM 1037 CG ARG A 67 5.556 -4.818 9.231 1.00 0.00 C ATOM 1038 CD ARG A 67 4.813 -6.138 8.975 1.00 0.00 C ATOM 1039 NE ARG A 67 5.484 -7.280 9.609 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.370 -8.560 9.252 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.509 -8.935 8.321 1.00 0.00 N ATOM 1042 NH2 ARG A 67 6.113 -9.492 9.831 1.00 0.00 N ATOM 0 H ARG A 67 8.739 -3.337 7.927 1.00 0.00 H new ATOM 0 HA ARG A 67 8.114 -5.665 9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.878 -3.405 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.263 -4.623 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.996 -4.858 10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.827 -4.008 9.237 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.794 -6.060 9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.741 -6.311 7.901 1.00 0.00 H new ATOM 0 HE ARG A 67 6.096 -7.075 10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.918 -8.241 7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.435 -9.918 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.780 -9.234 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.017 -10.468 9.550 1.00 0.00 H new ATOM 1056 N PHE A 68 8.380 -6.152 6.082 1.00 0.00 N ATOM 1057 CA PHE A 68 8.367 -7.135 5.010 1.00 0.00 C ATOM 1058 C PHE A 68 9.792 -7.504 4.579 1.00 0.00 C ATOM 1059 O PHE A 68 9.957 -8.438 3.795 1.00 0.00 O ATOM 1060 CB PHE A 68 7.477 -6.613 3.870 1.00 0.00 C ATOM 1061 CG PHE A 68 6.021 -6.463 4.267 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.550 -5.279 4.863 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.143 -7.544 4.099 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.229 -5.197 5.336 1.00 0.00 C ATOM 1065 CE2 PHE A 68 3.816 -7.462 4.547 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.365 -6.297 5.194 1.00 0.00 C ATOM 0 H PHE A 68 8.672 -5.226 5.770 1.00 0.00 H new ATOM 0 HA PHE A 68 7.932 -8.073 5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.856 -5.648 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.547 -7.295 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.208 -4.428 4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.492 -8.447 3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.878 -4.291 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.142 -8.292 4.395 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.358 -6.248 5.581 1.00 0.00 H new ATOM 1076 N GLY A 69 10.836 -6.864 5.124 1.00 0.00 N ATOM 1077 CA GLY A 69 12.230 -7.205 4.847 1.00 0.00 C ATOM 1078 C GLY A 69 12.523 -7.123 3.357 1.00 0.00 C ATOM 1079 O GLY A 69 12.970 -8.106 2.765 1.00 0.00 O ATOM 0 H GLY A 69 10.730 -6.087 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.889 -6.527 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.441 -8.211 5.208 1.00 0.00 H new ATOM 1083 N PHE A 70 12.170 -5.994 2.746 1.00 0.00 N ATOM 1084 CA PHE A 70 12.414 -5.758 1.331 1.00 0.00 C ATOM 1085 C PHE A 70 13.874 -5.355 1.096 1.00 0.00 C ATOM 1086 O PHE A 70 14.488 -4.760 1.984 1.00 0.00 O ATOM 1087 CB PHE A 70 11.473 -4.660 0.823 1.00 0.00 C ATOM 1088 CG PHE A 70 10.140 -5.202 0.355 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.066 -5.992 -0.809 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.973 -4.934 1.089 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.838 -6.530 -1.223 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.737 -5.454 0.662 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.673 -6.262 -0.488 1.00 0.00 C ATOM 0 H PHE A 70 11.707 -5.219 3.221 1.00 0.00 H new ATOM 0 HA PHE A 70 12.221 -6.679 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.306 -3.934 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.953 -4.128 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.959 -6.184 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.024 -4.328 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.789 -7.150 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.837 -5.233 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.727 -6.676 -0.805 1.00 0.00 H new ATOM 1103 N PRO A 71 14.419 -5.611 -0.104 1.00 0.00 N ATOM 1104 CA PRO A 71 15.636 -4.980 -0.559 1.00 0.00 C ATOM 1105 C PRO A 71 15.326 -3.521 -0.889 1.00 0.00 C ATOM 1106 O PRO A 71 14.511 -3.211 -1.760 1.00 0.00 O ATOM 1107 CB PRO A 71 16.110 -5.789 -1.762 1.00 0.00 C ATOM 1108 CG PRO A 71 14.866 -6.511 -2.275 1.00 0.00 C ATOM 1109 CD PRO A 71 13.792 -6.309 -1.212 1.00 0.00 C ATOM 0 HA PRO A 71 16.431 -4.967 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.534 -5.141 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.888 -6.498 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.547 -6.104 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.067 -7.571 -2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.959 -5.730 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.387 -7.267 -0.885 1.00 0.00 H new ATOM 1117 N GLU A 72 15.961 -2.621 -0.151 1.00 0.00 N ATOM 1118 CA GLU A 72 15.929 -1.190 -0.389 1.00 0.00 C ATOM 1119 C GLU A 72 16.428 -0.880 -1.810 1.00 0.00 C ATOM 1120 O GLU A 72 17.310 -1.573 -2.325 1.00 0.00 O ATOM 1121 CB GLU A 72 16.725 -0.464 0.707 1.00 0.00 C ATOM 1122 CG GLU A 72 18.155 -0.953 1.001 1.00 0.00 C ATOM 1123 CD GLU A 72 18.189 -2.211 1.872 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.089 -2.109 3.117 1.00 0.00 O ATOM 1125 OE2 GLU A 72 18.284 -3.317 1.297 1.00 0.00 O ATOM 0 H GLU A 72 16.530 -2.878 0.655 1.00 0.00 H new ATOM 0 HA GLU A 72 14.905 -0.820 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 72 16.781 0.591 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.153 -0.526 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.665 -1.156 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.710 -0.158 1.499 1.00 0.00 H new ATOM 1132 N GLY A 73 15.829 0.120 -2.466 1.00 0.00 N ATOM 1133 CA GLY A 73 15.988 0.400 -3.893 1.00 0.00 C ATOM 1134 C GLY A 73 15.043 -0.465 -4.733 1.00 0.00 C ATOM 1135 O GLY A 73 14.289 0.052 -5.561 1.00 0.00 O ATOM 0 H GLY A 73 15.201 0.776 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.788 1.454 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.020 0.212 -4.191 1.00 0.00 H new ATOM 1139 N SER A 74 14.976 -1.763 -4.444 1.00 0.00 N ATOM 1140 CA SER A 74 14.086 -2.725 -5.083 1.00 0.00 C ATOM 1141 C SER A 74 12.662 -2.764 -4.489 1.00 0.00 C ATOM 1142 O SER A 74 11.901 -3.695 -4.770 1.00 0.00 O ATOM 1143 CB SER A 74 14.779 -4.078 -5.039 1.00 0.00 C ATOM 1144 OG SER A 74 15.841 -4.097 -5.977 1.00 0.00 O ATOM 0 H SER A 74 15.565 -2.189 -3.729 1.00 0.00 H new ATOM 0 HA SER A 74 13.912 -2.416 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.162 -4.270 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.066 -4.871 -5.265 1.00 0.00 H new ATOM 0 HG SER A 74 16.288 -4.968 -5.947 1.00 0.00 H new ATOM 1150 N VAL A 75 12.255 -1.738 -3.737 1.00 0.00 N ATOM 1151 CA VAL A 75 10.876 -1.538 -3.305 1.00 0.00 C ATOM 1152 C VAL A 75 10.529 -0.056 -3.514 1.00 0.00 C ATOM 1153 O VAL A 75 11.345 0.827 -3.228 1.00 0.00 O ATOM 1154 CB VAL A 75 10.711 -2.074 -1.863 1.00 0.00 C ATOM 1155 CG1 VAL A 75 11.493 -1.294 -0.799 1.00 0.00 C ATOM 1156 CG2 VAL A 75 9.251 -2.175 -1.415 1.00 0.00 C ATOM 0 H VAL A 75 12.890 -1.011 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 75 10.154 -2.105 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 75 11.139 -3.074 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.318 -1.739 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.558 -1.331 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.160 -0.256 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.209 -2.558 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.790 -1.188 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.713 -2.852 -2.079 1.00 0.00 H new ATOM 1166 N GLU A 76 9.342 0.210 -4.055 1.00 0.00 N ATOM 1167 CA GLU A 76 8.718 1.516 -4.268 1.00 0.00 C ATOM 1168 C GLU A 76 7.296 1.456 -3.728 1.00 0.00 C ATOM 1169 O GLU A 76 6.576 0.492 -4.009 1.00 0.00 O ATOM 1170 CB GLU A 76 8.642 1.876 -5.766 1.00 0.00 C ATOM 1171 CG GLU A 76 9.726 2.885 -6.173 1.00 0.00 C ATOM 1172 CD GLU A 76 9.146 4.173 -6.760 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.546 4.973 -6.008 1.00 0.00 O ATOM 1174 OE2 GLU A 76 9.378 4.443 -7.957 1.00 0.00 O ATOM 0 H GLU A 76 8.741 -0.546 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 76 9.319 2.270 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.749 0.970 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.659 2.291 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.334 3.130 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.389 2.424 -6.905 1.00 0.00 H new ATOM 1181 N LEU A 77 6.887 2.486 -2.990 1.00 0.00 N ATOM 1182 CA LEU A 77 5.521 2.644 -2.527 1.00 0.00 C ATOM 1183 C LEU A 77 4.919 3.827 -3.263 1.00 0.00 C ATOM 1184 O LEU A 77 5.518 4.905 -3.313 1.00 0.00 O ATOM 1185 CB LEU A 77 5.460 2.884 -1.012 1.00 0.00 C ATOM 1186 CG LEU A 77 5.334 1.594 -0.184 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.599 0.732 -0.221 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.966 1.986 1.248 1.00 0.00 C ATOM 0 H LEU A 77 7.507 3.241 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 77 4.963 1.730 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.358 3.418 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.612 3.532 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 77 4.553 0.972 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.447 -0.163 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.813 0.444 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.439 1.301 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.870 1.088 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.746 2.624 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.019 2.526 1.246 1.00 0.00 H new ATOM 1200 N TYR A 78 3.699 3.619 -3.740 1.00 0.00 N ATOM 1201 CA TYR A 78 2.859 4.567 -4.442 1.00 0.00 C ATOM 1202 C TYR A 78 1.491 4.623 -3.751 1.00 0.00 C ATOM 1203 O TYR A 78 1.224 3.858 -2.817 1.00 0.00 O ATOM 1204 CB TYR A 78 2.710 4.089 -5.886 1.00 0.00 C ATOM 1205 CG TYR A 78 4.001 3.741 -6.609 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.758 4.775 -7.190 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.412 2.398 -6.765 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.860 4.475 -8.009 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.487 2.103 -7.610 1.00 0.00 C ATOM 1210 CZ TYR A 78 6.179 3.128 -8.283 1.00 0.00 C ATOM 1211 OH TYR A 78 7.082 2.798 -9.248 1.00 0.00 O ATOM 0 H TYR A 78 3.241 2.714 -3.636 1.00 0.00 H new ATOM 0 HA TYR A 78 3.298 5.565 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.065 3.210 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.197 4.865 -6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.491 5.805 -7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.901 1.607 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.459 5.271 -8.426 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.790 1.076 -7.748 1.00 0.00 H new ATOM 0 HH TYR A 78 6.990 1.848 -9.471 1.00 0.00 H new ATOM 1221 N ALA A 79 0.601 5.488 -4.229 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.805 5.480 -3.871 1.00 0.00 C ATOM 1223 C ALA A 79 -1.612 5.690 -5.145 1.00 0.00 C ATOM 1224 O ALA A 79 -1.109 6.233 -6.130 1.00 0.00 O ATOM 1225 CB ALA A 79 -1.100 6.566 -2.827 1.00 0.00 C ATOM 0 H ALA A 79 0.847 6.226 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.081 4.527 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.159 6.546 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.506 6.381 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.845 7.543 -3.237 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.869 5.288 -5.098 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.882 5.433 -6.116 1.00 0.00 C ATOM 1233 C GLU A 80 -5.166 5.785 -5.393 1.00 0.00 C ATOM 1234 O GLU A 80 -5.360 5.454 -4.215 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.014 4.103 -6.869 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.934 4.118 -8.093 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.676 5.320 -9.003 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -3.699 5.301 -9.779 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -5.421 6.325 -8.891 1.00 0.00 O ATOM 0 H GLU A 80 -3.234 4.811 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.638 6.207 -6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.021 3.788 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.379 3.348 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.793 3.199 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.973 4.132 -7.763 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.045 6.481 -6.103 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.281 6.926 -5.535 1.00 0.00 C ATOM 1248 C LYS A 81 -8.355 5.910 -5.884 1.00 0.00 C ATOM 1249 O LYS A 81 -8.468 5.487 -7.034 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.577 8.332 -6.028 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.984 8.693 -5.566 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.221 10.172 -5.340 1.00 0.00 C ATOM 1253 CE LYS A 81 -9.538 10.909 -6.643 1.00 0.00 C ATOM 1254 NZ LYS A 81 -10.081 12.254 -6.370 1.00 0.00 N ATOM 0 H LYS A 81 -5.910 6.744 -7.079 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.237 6.988 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.849 9.039 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.506 8.380 -7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.698 8.335 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.194 8.160 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.046 10.304 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.338 10.614 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.634 10.993 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.258 10.333 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.288 12.734 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.955 12.169 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.383 12.808 -5.835 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.178 5.571 -4.900 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.352 4.756 -5.143 1.00 0.00 C ATOM 1270 C VAL A 82 -11.446 5.624 -5.758 1.00 0.00 C ATOM 1271 O VAL A 82 -11.614 6.796 -5.388 1.00 0.00 O ATOM 1272 CB VAL A 82 -10.845 4.092 -3.854 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -9.746 3.251 -3.210 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.451 5.048 -2.839 1.00 0.00 C ATOM 0 H VAL A 82 -9.051 5.850 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.090 3.957 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.662 3.443 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.126 2.793 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.431 2.471 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.895 3.888 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.772 4.490 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.706 5.788 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.310 5.552 -3.282 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.211 5.033 -6.668 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.399 5.607 -7.267 1.00 0.00 C ATOM 1286 C ALA A 83 -14.123 4.497 -8.041 1.00 0.00 C ATOM 1287 O ALA A 83 -13.798 3.318 -7.881 1.00 0.00 O ATOM 1288 CB ALA A 83 -12.960 6.774 -8.153 1.00 0.00 C ATOM 0 H ALA A 83 -12.006 4.098 -7.021 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.098 6.000 -6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.835 7.227 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.446 7.519 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.285 6.409 -8.927 1.00 0.00 H new ATOM 1294 N THR A 84 -15.115 4.848 -8.859 1.00 0.00 N ATOM 1295 CA THR A 84 -15.880 3.884 -9.657 1.00 0.00 C ATOM 1296 C THR A 84 -15.879 4.196 -11.160 1.00 0.00 C ATOM 1297 O THR A 84 -16.149 3.306 -11.973 1.00 0.00 O ATOM 1298 CB THR A 84 -17.305 3.719 -9.082 1.00 0.00 C ATOM 1299 OG1 THR A 84 -17.590 4.624 -8.019 1.00 0.00 O ATOM 1300 CG2 THR A 84 -17.464 2.300 -8.524 1.00 0.00 C ATOM 0 H THR A 84 -15.414 5.815 -8.989 1.00 0.00 H new ATOM 0 HA THR A 84 -15.371 2.924 -9.577 1.00 0.00 H new ATOM 0 HB THR A 84 -17.993 3.923 -9.903 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.504 4.474 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 84 -18.468 2.179 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 84 -17.307 1.575 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 84 -16.731 2.135 -7.735 1.00 0.00 H new ATOM 1308 N ARG A 85 -15.524 5.423 -11.555 1.00 0.00 N ATOM 1309 CA ARG A 85 -15.314 5.810 -12.947 1.00 0.00 C ATOM 1310 C ARG A 85 -14.207 4.956 -13.551 1.00 0.00 C ATOM 1311 O ARG A 85 -13.043 5.161 -13.214 1.00 0.00 O ATOM 1312 CB ARG A 85 -14.903 7.291 -13.040 1.00 0.00 C ATOM 1313 CG ARG A 85 -16.004 8.268 -13.457 1.00 0.00 C ATOM 1314 CD ARG A 85 -15.898 8.694 -14.933 1.00 0.00 C ATOM 1315 NE ARG A 85 -16.084 10.144 -15.081 1.00 0.00 N ATOM 1316 CZ ARG A 85 -17.225 10.809 -14.894 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -18.358 10.161 -14.645 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -17.220 12.133 -14.925 1.00 0.00 N ATOM 0 H ARG A 85 -15.372 6.189 -10.899 1.00 0.00 H new ATOM 0 HA ARG A 85 -16.246 5.661 -13.492 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -14.517 7.602 -12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.081 7.375 -13.751 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.977 7.806 -13.286 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -15.956 9.154 -12.824 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.923 8.407 -15.328 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.648 8.166 -15.522 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.267 10.691 -15.351 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.362 9.142 -14.595 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.223 10.682 -14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -16.348 12.636 -15.091 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.088 12.650 -14.783 1.00 0.00 H new ATOM 1332 N GLY A 86 -14.550 4.102 -14.510 1.00 0.00 N ATOM 1333 CA GLY A 86 -13.641 3.891 -15.616 1.00 0.00 C ATOM 1334 C GLY A 86 -13.455 5.219 -16.350 1.00 0.00 C ATOM 1335 O GLY A 86 -14.377 6.047 -16.370 1.00 0.00 O ATOM 0 H GLY A 86 -15.417 3.566 -14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.682 3.521 -15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.038 3.136 -16.294 1.00 0.00 H new ATOM 1339 N SER A 87 -12.277 5.385 -16.944 1.00 0.00 N ATOM 1340 CA SER A 87 -11.786 6.567 -17.644 1.00 0.00 C ATOM 1341 C SER A 87 -11.278 6.129 -19.026 1.00 0.00 C ATOM 1342 O SER A 87 -11.127 4.925 -19.260 1.00 0.00 O ATOM 1343 CB SER A 87 -10.671 7.198 -16.796 1.00 0.00 C ATOM 1344 OG SER A 87 -11.181 7.788 -15.607 1.00 0.00 O ATOM 0 H SER A 87 -11.585 4.635 -16.948 1.00 0.00 H new ATOM 0 HA SER A 87 -12.569 7.312 -17.788 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.936 6.436 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.152 7.955 -17.384 1.00 0.00 H new ATOM 0 HG SER A 87 -10.443 8.177 -15.093 1.00 0.00 H new ATOM 1350 N GLY A 88 -10.998 7.066 -19.937 1.00 0.00 N ATOM 1351 CA GLY A 88 -10.924 6.743 -21.359 1.00 0.00 C ATOM 1352 C GLY A 88 -10.170 7.778 -22.200 1.00 0.00 C ATOM 1353 O GLY A 88 -9.258 8.438 -21.689 1.00 0.00 O ATOM 0 H GLY A 88 -10.821 8.046 -19.715 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.439 5.774 -21.475 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.936 6.641 -21.750 1.00 0.00 H new ATOM 1357 N PRO A 89 -10.480 7.884 -23.509 1.00 0.00 N ATOM 1358 CA PRO A 89 -9.813 8.798 -24.427 1.00 0.00 C ATOM 1359 C PRO A 89 -10.141 10.250 -24.060 1.00 0.00 C ATOM 1360 O PRO A 89 -11.182 10.797 -24.423 1.00 0.00 O ATOM 1361 CB PRO A 89 -10.269 8.406 -25.836 1.00 0.00 C ATOM 1362 CG PRO A 89 -11.649 7.810 -25.589 1.00 0.00 C ATOM 1363 CD PRO A 89 -11.508 7.136 -24.224 1.00 0.00 C ATOM 0 HA PRO A 89 -8.727 8.726 -24.371 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.314 9.268 -26.501 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.593 7.684 -26.294 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.422 8.578 -25.579 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.921 7.094 -26.364 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -12.453 7.155 -23.681 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.224 6.089 -24.333 1.00 0.00 H new ATOM 1371 N SER A 90 -9.245 10.866 -23.299 1.00 0.00 N ATOM 1372 CA SER A 90 -9.254 12.262 -22.914 1.00 0.00 C ATOM 1373 C SER A 90 -8.383 13.015 -23.914 1.00 0.00 C ATOM 1374 O SER A 90 -8.898 13.835 -24.673 1.00 0.00 O ATOM 1375 CB SER A 90 -8.755 12.370 -21.465 1.00 0.00 C ATOM 1376 OG SER A 90 -8.712 13.709 -20.997 1.00 0.00 O ATOM 0 H SER A 90 -8.444 10.367 -22.912 1.00 0.00 H new ATOM 0 HA SER A 90 -10.250 12.704 -22.938 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.406 11.784 -20.817 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.759 11.933 -21.395 1.00 0.00 H new ATOM 0 HG SER A 90 -8.146 14.245 -21.591 1.00 0.00 H new ATOM 1382 N SER A 91 -7.073 12.732 -23.906 1.00 0.00 N ATOM 1383 CA SER A 91 -6.032 13.678 -24.305 1.00 0.00 C ATOM 1384 C SER A 91 -6.135 14.974 -23.482 1.00 0.00 C ATOM 1385 O SER A 91 -6.954 15.091 -22.559 1.00 0.00 O ATOM 1386 CB SER A 91 -6.084 13.980 -25.811 1.00 0.00 C ATOM 1387 OG SER A 91 -6.347 12.837 -26.605 1.00 0.00 O ATOM 0 H SER A 91 -6.706 11.825 -23.617 1.00 0.00 H new ATOM 0 HA SER A 91 -5.068 13.213 -24.101 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.855 14.728 -25.998 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.134 14.417 -26.119 1.00 0.00 H new ATOM 0 HG SER A 91 -6.369 13.094 -27.551 1.00 0.00 H new ATOM 1393 N GLY A 92 -5.296 15.953 -23.806 1.00 0.00 N ATOM 1394 CA GLY A 92 -5.223 17.260 -23.188 1.00 0.00 C ATOM 1395 C GLY A 92 -3.770 17.491 -22.861 1.00 0.00 C ATOM 1396 O GLY A 92 -2.921 17.126 -23.699 1.00 0.00 O ATOM 0 H GLY A 92 -4.610 15.842 -24.553 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.597 18.031 -23.862 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.836 17.299 -22.287 1.00 0.00 H new TER 1400 GLY A 92