USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 569 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 3 GLN : amide:sc= -1.25 K(o=-0.41,f=-2.3) USER MOD Set 1.2: A 6 SER OG : rot 157:sc= 0.846 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -118:sc= -0.817 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.85) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 46:sc= 0.19 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.0379 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.517! C(o=-0.52!,f=-14!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.5!) USER MOD Single : A 57 THR OG1 : rot 48:sc= 0.00779 USER MOD Single : A 58 ASN : amide:sc= -2.03 K(o=-2,f=-5.1!) USER MOD Single : A 59 ASN :FLIP amide:sc= -1.09 F(o=-3.4,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0674) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.434 6.847 -5.143 1.00 0.00 N ATOM 2 CA MET A 1 -7.755 7.648 -3.927 1.00 0.00 C ATOM 3 C MET A 1 -7.667 6.768 -2.677 1.00 0.00 C ATOM 4 O MET A 1 -8.667 6.300 -2.167 1.00 0.00 O ATOM 5 CB MET A 1 -9.189 8.135 -4.141 1.00 0.00 C ATOM 6 CG MET A 1 -9.598 9.044 -2.981 1.00 0.00 C ATOM 7 SD MET A 1 -11.401 9.180 -2.928 1.00 0.00 S ATOM 8 CE MET A 1 -11.522 9.981 -1.311 1.00 0.00 C ATOM 0 H1 MET A 1 -7.497 7.454 -5.985 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.470 6.465 -5.063 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.111 6.062 -5.231 1.00 0.00 H new ATOM 0 HA MET A 1 -7.061 8.476 -3.782 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.264 8.676 -5.084 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.867 7.284 -4.207 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.225 8.640 -2.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.152 10.031 -3.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.570 10.162 -1.072 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.083 9.335 -0.551 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.986 10.930 -1.334 1.00 0.00 H new ATOM 20 N VAL A 2 -6.478 6.563 -2.169 1.00 0.00 N ATOM 21 CA VAL A 2 -6.317 5.738 -0.934 1.00 0.00 C ATOM 22 C VAL A 2 -6.402 6.635 0.308 1.00 0.00 C ATOM 23 O VAL A 2 -6.312 7.844 0.216 1.00 0.00 O ATOM 24 CB VAL A 2 -4.926 5.105 -1.054 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.643 4.237 0.177 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.865 4.229 -2.310 1.00 0.00 C ATOM 0 H VAL A 2 -5.610 6.932 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.095 4.981 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.180 5.897 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.653 3.789 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.682 4.855 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.393 3.449 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.875 3.780 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.616 3.442 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.061 4.841 -3.190 1.00 0.00 H new ATOM 36 N GLN A 3 -6.542 6.044 1.467 1.00 0.00 N ATOM 37 CA GLN A 3 -6.595 6.849 2.723 1.00 0.00 C ATOM 38 C GLN A 3 -5.474 6.423 3.673 1.00 0.00 C ATOM 39 O GLN A 3 -4.925 5.343 3.553 1.00 0.00 O ATOM 40 CB GLN A 3 -7.963 6.539 3.335 1.00 0.00 C ATOM 41 CG GLN A 3 -9.067 6.999 2.381 1.00 0.00 C ATOM 42 CD GLN A 3 -9.496 5.828 1.495 1.00 0.00 C ATOM 43 OE1 GLN A 3 -9.683 4.727 1.972 1.00 0.00 O ATOM 44 NE2 GLN A 3 -9.663 6.022 0.215 1.00 0.00 N ATOM 0 H GLN A 3 -6.622 5.036 1.597 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.464 7.915 2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.054 5.469 3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.065 7.043 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.920 7.372 2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.709 7.824 1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.506 6.947 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.951 5.249 -0.385 1.00 0.00 H new ATOM 53 N ARG A 4 -5.173 7.238 4.652 1.00 0.00 N ATOM 54 CA ARG A 4 -4.137 6.857 5.660 1.00 0.00 C ATOM 55 C ARG A 4 -4.701 5.818 6.631 1.00 0.00 C ATOM 56 O ARG A 4 -5.533 6.123 7.464 1.00 0.00 O ATOM 57 CB ARG A 4 -3.801 8.155 6.398 1.00 0.00 C ATOM 58 CG ARG A 4 -2.813 8.976 5.567 1.00 0.00 C ATOM 59 CD ARG A 4 -3.585 9.939 4.660 1.00 0.00 C ATOM 60 NE ARG A 4 -3.672 9.241 3.339 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.904 9.908 2.224 1.00 0.00 C ATOM 62 NH1 ARG A 4 -4.113 11.205 2.228 1.00 0.00 N ATOM 63 NH2 ARG A 4 -3.929 9.262 1.090 1.00 0.00 N ATOM 0 H ARG A 4 -5.601 8.153 4.797 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.256 6.413 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.710 8.731 6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.372 7.930 7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.145 9.534 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.189 8.314 4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.576 10.150 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.069 10.894 4.568 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.549 8.229 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.098 11.721 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.290 11.696 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.770 8.255 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.107 9.765 0.221 1.00 0.00 H new ATOM 77 N GLY A 5 -4.268 4.587 6.511 1.00 0.00 N ATOM 78 CA GLY A 5 -4.793 3.514 7.406 1.00 0.00 C ATOM 79 C GLY A 5 -5.392 2.389 6.560 1.00 0.00 C ATOM 80 O GLY A 5 -5.376 1.236 6.946 1.00 0.00 O ATOM 0 H GLY A 5 -3.573 4.280 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.991 3.124 8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.550 3.922 8.075 1.00 0.00 H new ATOM 84 N SER A 6 -5.913 2.717 5.404 1.00 0.00 N ATOM 85 CA SER A 6 -6.508 1.667 4.520 1.00 0.00 C ATOM 86 C SER A 6 -5.441 0.643 4.124 1.00 0.00 C ATOM 87 O SER A 6 -4.256 0.912 4.191 1.00 0.00 O ATOM 88 CB SER A 6 -7.014 2.416 3.286 1.00 0.00 C ATOM 89 OG SER A 6 -8.416 2.618 3.403 1.00 0.00 O ATOM 0 H SER A 6 -5.952 3.667 5.034 1.00 0.00 H new ATOM 0 HA SER A 6 -7.309 1.119 5.017 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.503 3.374 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.791 1.847 2.384 1.00 0.00 H new ATOM 0 HG SER A 6 -8.684 3.381 2.850 1.00 0.00 H new ATOM 95 N LYS A 7 -5.857 -0.510 3.663 1.00 0.00 N ATOM 96 CA LYS A 7 -4.875 -1.538 3.203 1.00 0.00 C ATOM 97 C LYS A 7 -4.993 -1.740 1.690 1.00 0.00 C ATOM 98 O LYS A 7 -6.071 -1.943 1.166 1.00 0.00 O ATOM 99 CB LYS A 7 -5.262 -2.816 3.947 1.00 0.00 C ATOM 100 CG LYS A 7 -5.046 -2.619 5.449 1.00 0.00 C ATOM 101 CD LYS A 7 -4.929 -3.982 6.132 1.00 0.00 C ATOM 102 CE LYS A 7 -6.269 -4.716 6.042 1.00 0.00 C ATOM 103 NZ LYS A 7 -6.178 -5.808 7.051 1.00 0.00 N ATOM 0 H LYS A 7 -6.837 -0.784 3.585 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.845 -1.246 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.305 -3.063 3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.662 -3.653 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.143 -2.035 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.877 -2.057 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.146 -4.573 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.642 -3.854 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.101 -4.046 6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.434 -5.116 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.061 -6.357 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.381 -6.433 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.028 -5.397 7.995 1.00 0.00 H new ATOM 117 N VAL A 8 -3.890 -1.674 0.987 1.00 0.00 N ATOM 118 CA VAL A 8 -3.930 -1.849 -0.496 1.00 0.00 C ATOM 119 C VAL A 8 -3.015 -3.004 -0.920 1.00 0.00 C ATOM 120 O VAL A 8 -2.100 -3.372 -0.210 1.00 0.00 O ATOM 121 CB VAL A 8 -3.430 -0.519 -1.074 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.374 0.607 -0.649 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.019 -0.219 -0.554 1.00 0.00 C ATOM 0 H VAL A 8 -2.963 -1.506 1.377 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.930 -2.092 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.405 -0.590 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.020 1.553 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.377 0.402 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.399 0.670 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.672 0.727 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.039 -0.152 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.342 -1.018 -0.856 1.00 0.00 H new ATOM 133 N ARG A 9 -3.238 -3.549 -2.089 1.00 0.00 N ATOM 134 CA ARG A 9 -2.362 -4.651 -2.588 1.00 0.00 C ATOM 135 C ARG A 9 -1.086 -4.075 -3.206 1.00 0.00 C ATOM 136 O ARG A 9 -1.073 -2.962 -3.696 1.00 0.00 O ATOM 137 CB ARG A 9 -3.196 -5.370 -3.649 1.00 0.00 C ATOM 138 CG ARG A 9 -4.005 -6.490 -2.992 1.00 0.00 C ATOM 139 CD ARG A 9 -4.222 -7.623 -3.998 1.00 0.00 C ATOM 140 NE ARG A 9 -5.612 -8.112 -3.741 1.00 0.00 N ATOM 141 CZ ARG A 9 -6.285 -8.783 -4.655 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.751 -9.092 -5.815 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.512 -9.152 -4.400 1.00 0.00 N ATOM 0 H ARG A 9 -3.991 -3.277 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.050 -5.324 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.865 -4.664 -4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.545 -5.782 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.480 -6.865 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.965 -6.106 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.113 -7.267 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.492 -8.420 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.049 -7.922 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.793 -8.812 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.294 -9.612 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.938 -8.920 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.044 -9.672 -5.098 1.00 0.00 H new ATOM 157 N ILE A 10 -0.020 -4.834 -3.199 1.00 0.00 N ATOM 158 CA ILE A 10 1.259 -4.345 -3.800 1.00 0.00 C ATOM 159 C ILE A 10 1.430 -4.921 -5.210 1.00 0.00 C ATOM 160 O ILE A 10 1.483 -6.123 -5.395 1.00 0.00 O ATOM 161 CB ILE A 10 2.364 -4.860 -2.867 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.140 -4.325 -1.441 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.736 -4.403 -3.382 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.148 -2.791 -1.437 1.00 0.00 C ATOM 0 H ILE A 10 0.021 -5.773 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 10 1.284 -3.259 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 10 2.332 -5.949 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.189 -4.691 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.920 -4.701 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.516 -4.772 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.898 -4.799 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.769 -3.314 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.988 -2.429 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.109 -2.431 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.352 -2.421 -2.083 1.00 0.00 H new ATOM 176 N LEU A 11 1.552 -4.070 -6.196 1.00 0.00 N ATOM 177 CA LEU A 11 1.765 -4.556 -7.592 1.00 0.00 C ATOM 178 C LEU A 11 3.241 -4.424 -7.979 1.00 0.00 C ATOM 179 O LEU A 11 3.568 -4.074 -9.097 1.00 0.00 O ATOM 180 CB LEU A 11 0.896 -3.645 -8.468 1.00 0.00 C ATOM 181 CG LEU A 11 -0.549 -4.168 -8.524 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.573 -5.569 -9.140 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.141 -4.219 -7.112 1.00 0.00 C ATOM 0 H LEU A 11 1.513 -3.056 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 11 1.499 -5.607 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.906 -2.630 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.310 -3.596 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.145 -3.494 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.600 -5.933 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.166 -5.529 -10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.030 -6.244 -8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.165 -4.590 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.542 -4.885 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.138 -3.218 -6.680 1.00 0.00 H new ATOM 195 N ARG A 12 4.129 -4.736 -7.070 1.00 0.00 N ATOM 196 CA ARG A 12 5.588 -4.672 -7.386 1.00 0.00 C ATOM 197 C ARG A 12 6.200 -6.081 -7.354 1.00 0.00 C ATOM 198 O ARG A 12 6.657 -6.525 -6.319 1.00 0.00 O ATOM 199 CB ARG A 12 6.192 -3.798 -6.286 1.00 0.00 C ATOM 200 CG ARG A 12 7.371 -3.005 -6.853 1.00 0.00 C ATOM 201 CD ARG A 12 7.577 -1.733 -6.027 1.00 0.00 C ATOM 202 NE ARG A 12 9.060 -1.583 -5.906 1.00 0.00 N ATOM 203 CZ ARG A 12 9.602 -0.852 -4.950 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.864 -0.189 -4.090 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.902 -0.786 -4.859 1.00 0.00 N ATOM 0 H ARG A 12 3.906 -5.033 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 12 5.779 -4.267 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.437 -3.117 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.524 -4.420 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.275 -3.614 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.182 -2.748 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.132 -0.868 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.108 -1.819 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 12 9.666 -2.056 -6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.847 -0.232 -4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.308 0.369 -3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.486 -1.296 -5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.334 -0.225 -4.125 1.00 0.00 H new ATOM 219 N PRO A 13 6.196 -6.751 -8.491 1.00 0.00 N ATOM 220 CA PRO A 13 6.766 -8.127 -8.570 1.00 0.00 C ATOM 221 C PRO A 13 8.198 -8.162 -8.020 1.00 0.00 C ATOM 222 O PRO A 13 8.663 -9.182 -7.545 1.00 0.00 O ATOM 223 CB PRO A 13 6.760 -8.435 -10.066 1.00 0.00 C ATOM 224 CG PRO A 13 5.692 -7.558 -10.634 1.00 0.00 C ATOM 225 CD PRO A 13 5.665 -6.310 -9.794 1.00 0.00 C ATOM 0 HA PRO A 13 6.200 -8.849 -7.982 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.729 -8.221 -10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.547 -9.488 -10.252 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.902 -7.318 -11.676 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.725 -8.061 -10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.278 -5.521 -10.230 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.654 -5.913 -9.700 1.00 0.00 H new ATOM 233 N GLU A 14 8.890 -7.052 -8.070 1.00 0.00 N ATOM 234 CA GLU A 14 10.287 -7.009 -7.539 1.00 0.00 C ATOM 235 C GLU A 14 10.272 -6.979 -6.007 1.00 0.00 C ATOM 236 O GLU A 14 11.207 -7.415 -5.363 1.00 0.00 O ATOM 237 CB GLU A 14 10.886 -5.716 -8.094 1.00 0.00 C ATOM 238 CG GLU A 14 12.356 -5.614 -7.680 1.00 0.00 C ATOM 239 CD GLU A 14 12.897 -4.232 -8.051 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.145 -3.278 -7.954 1.00 0.00 O ATOM 241 OE2 GLU A 14 14.055 -4.154 -8.427 1.00 0.00 O ATOM 0 H GLU A 14 8.548 -6.172 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 14 10.865 -7.885 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.802 -5.701 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.331 -4.856 -7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.455 -5.779 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.939 -6.390 -8.176 1.00 0.00 H new ATOM 248 N SER A 15 9.223 -6.455 -5.424 1.00 0.00 N ATOM 249 CA SER A 15 9.149 -6.378 -3.932 1.00 0.00 C ATOM 250 C SER A 15 8.861 -7.762 -3.344 1.00 0.00 C ATOM 251 O SER A 15 8.048 -8.506 -3.860 1.00 0.00 O ATOM 252 CB SER A 15 7.996 -5.420 -3.635 1.00 0.00 C ATOM 253 OG SER A 15 8.317 -4.130 -4.139 1.00 0.00 O ATOM 0 H SER A 15 8.414 -6.077 -5.917 1.00 0.00 H new ATOM 0 HA SER A 15 10.085 -6.034 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.077 -5.785 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.817 -5.370 -2.561 1.00 0.00 H new ATOM 0 HG SER A 15 8.353 -3.489 -3.398 1.00 0.00 H new ATOM 259 N TYR A 16 9.472 -8.080 -2.231 1.00 0.00 N ATOM 260 CA TYR A 16 9.182 -9.384 -1.555 1.00 0.00 C ATOM 261 C TYR A 16 7.699 -9.469 -1.178 1.00 0.00 C ATOM 262 O TYR A 16 7.149 -10.546 -1.036 1.00 0.00 O ATOM 263 CB TYR A 16 10.057 -9.389 -0.297 1.00 0.00 C ATOM 264 CG TYR A 16 9.899 -10.705 0.426 1.00 0.00 C ATOM 265 CD1 TYR A 16 8.896 -10.857 1.391 1.00 0.00 C ATOM 266 CD2 TYR A 16 10.755 -11.773 0.132 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.749 -12.077 2.063 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.608 -12.993 0.803 1.00 0.00 C ATOM 269 CZ TYR A 16 9.605 -13.144 1.769 1.00 0.00 C ATOM 270 OH TYR A 16 9.460 -14.347 2.430 1.00 0.00 O ATOM 0 H TYR A 16 10.160 -7.493 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 16 9.395 -10.236 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.101 -9.235 -0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.773 -8.566 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.235 -10.033 1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.529 -11.656 -0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.975 -12.194 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.268 -13.817 0.576 1.00 0.00 H new ATOM 0 HH TYR A 16 10.133 -14.981 2.106 1.00 0.00 H new ATOM 280 N TRP A 17 7.065 -8.343 -0.962 1.00 0.00 N ATOM 281 CA TRP A 17 5.635 -8.354 -0.529 1.00 0.00 C ATOM 282 C TRP A 17 4.715 -8.172 -1.739 1.00 0.00 C ATOM 283 O TRP A 17 3.667 -7.560 -1.643 1.00 0.00 O ATOM 284 CB TRP A 17 5.501 -7.170 0.430 1.00 0.00 C ATOM 285 CG TRP A 17 6.369 -7.395 1.625 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.128 -8.299 2.603 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.611 -6.724 1.987 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.141 -8.225 3.541 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.080 -7.268 3.206 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.369 -5.705 1.382 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.258 -6.818 3.802 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.555 -5.250 1.979 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.999 -5.806 3.187 1.00 0.00 C ATOM 0 H TRP A 17 7.477 -7.416 -1.067 1.00 0.00 H new ATOM 0 HA TRP A 17 5.354 -9.295 -0.055 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.789 -6.247 -0.073 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.462 -7.054 0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.282 -8.969 2.644 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.189 -8.806 4.378 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.036 -5.270 0.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.595 -7.249 4.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.129 -4.467 1.505 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.913 -5.452 3.641 1.00 0.00 H new ATOM 304 N PHE A 18 5.060 -8.768 -2.853 1.00 0.00 N ATOM 305 CA PHE A 18 4.163 -8.710 -4.048 1.00 0.00 C ATOM 306 C PHE A 18 2.918 -9.571 -3.814 1.00 0.00 C ATOM 307 O PHE A 18 2.921 -10.474 -2.999 1.00 0.00 O ATOM 308 CB PHE A 18 4.994 -9.273 -5.202 1.00 0.00 C ATOM 309 CG PHE A 18 4.212 -9.158 -6.488 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.813 -7.900 -6.955 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.886 -10.310 -7.214 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.087 -7.793 -8.147 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.160 -10.202 -8.408 1.00 0.00 C ATOM 314 CZ PHE A 18 2.761 -8.945 -8.874 1.00 0.00 C ATOM 0 H PHE A 18 5.925 -9.293 -2.987 1.00 0.00 H new ATOM 0 HA PHE A 18 3.818 -7.697 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.935 -8.729 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.245 -10.316 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.065 -7.012 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.194 -11.281 -6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.778 -6.822 -8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.908 -11.090 -8.969 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.202 -8.863 -9.794 1.00 0.00 H new ATOM 324 N GLN A 19 1.856 -9.308 -4.541 1.00 0.00 N ATOM 325 CA GLN A 19 0.600 -10.116 -4.391 1.00 0.00 C ATOM 326 C GLN A 19 0.160 -10.171 -2.922 1.00 0.00 C ATOM 327 O GLN A 19 -0.511 -11.096 -2.502 1.00 0.00 O ATOM 328 CB GLN A 19 0.953 -11.517 -4.899 1.00 0.00 C ATOM 329 CG GLN A 19 0.597 -11.626 -6.383 1.00 0.00 C ATOM 330 CD GLN A 19 0.226 -13.073 -6.713 1.00 0.00 C ATOM 331 OE1 GLN A 19 -0.492 -13.714 -5.971 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.687 -13.619 -7.806 1.00 0.00 N ATOM 0 H GLN A 19 1.805 -8.564 -5.236 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.228 -9.679 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.016 -11.711 -4.754 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.410 -12.270 -4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.236 -10.963 -6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.441 -11.307 -6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.290 -13.082 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.444 -14.583 -8.036 1.00 0.00 H new ATOM 341 N ASP A 20 0.511 -9.173 -2.152 1.00 0.00 N ATOM 342 CA ASP A 20 0.092 -9.143 -0.718 1.00 0.00 C ATOM 343 C ASP A 20 -0.632 -7.830 -0.407 1.00 0.00 C ATOM 344 O ASP A 20 -0.631 -6.909 -1.201 1.00 0.00 O ATOM 345 CB ASP A 20 1.395 -9.239 0.077 1.00 0.00 C ATOM 346 CG ASP A 20 1.681 -10.704 0.413 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.877 -11.300 1.112 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.699 -11.205 -0.035 1.00 0.00 O ATOM 0 H ASP A 20 1.071 -8.376 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.596 -9.951 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.218 -8.820 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.319 -8.653 0.993 1.00 0.00 H new ATOM 353 N VAL A 21 -1.230 -7.734 0.753 1.00 0.00 N ATOM 354 CA VAL A 21 -1.938 -6.475 1.137 1.00 0.00 C ATOM 355 C VAL A 21 -1.185 -5.777 2.276 1.00 0.00 C ATOM 356 O VAL A 21 -1.116 -6.279 3.382 1.00 0.00 O ATOM 357 CB VAL A 21 -3.329 -6.922 1.600 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.153 -5.699 2.011 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.043 -7.646 0.456 1.00 0.00 C ATOM 0 H VAL A 21 -1.259 -8.475 1.453 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.998 -5.765 0.312 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.223 -7.595 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.141 -6.020 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.650 -5.179 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.255 -5.026 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.032 -7.963 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.144 -6.972 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.462 -8.519 0.160 1.00 0.00 H new ATOM 369 N GLY A 22 -0.648 -4.613 2.016 1.00 0.00 N ATOM 370 CA GLY A 22 0.072 -3.858 3.084 1.00 0.00 C ATOM 371 C GLY A 22 -0.822 -2.733 3.607 1.00 0.00 C ATOM 372 O GLY A 22 -1.854 -2.433 3.035 1.00 0.00 O ATOM 0 H GLY A 22 -0.677 -4.152 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.343 -4.530 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.000 -3.445 2.689 1.00 0.00 H new ATOM 376 N THR A 23 -0.422 -2.095 4.677 1.00 0.00 N ATOM 377 CA THR A 23 -1.229 -0.967 5.231 1.00 0.00 C ATOM 378 C THR A 23 -0.578 0.373 4.875 1.00 0.00 C ATOM 379 O THR A 23 0.631 0.504 4.878 1.00 0.00 O ATOM 380 CB THR A 23 -1.223 -1.181 6.744 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.464 -2.553 7.028 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.317 -0.327 7.387 1.00 0.00 C ATOM 0 H THR A 23 0.432 -2.308 5.193 1.00 0.00 H new ATOM 0 HA THR A 23 -2.241 -0.946 4.827 1.00 0.00 H new ATOM 0 HB THR A 23 -0.253 -0.890 7.148 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.459 -2.692 7.998 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.311 -0.481 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.132 0.725 7.169 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.288 -0.616 6.984 1.00 0.00 H new ATOM 390 N VAL A 24 -1.376 1.373 4.598 1.00 0.00 N ATOM 391 CA VAL A 24 -0.815 2.720 4.274 1.00 0.00 C ATOM 392 C VAL A 24 -0.435 3.452 5.565 1.00 0.00 C ATOM 393 O VAL A 24 -1.272 3.711 6.411 1.00 0.00 O ATOM 394 CB VAL A 24 -1.940 3.459 3.541 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.467 4.862 3.150 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.324 2.686 2.276 1.00 0.00 C ATOM 0 H VAL A 24 -2.394 1.315 4.582 1.00 0.00 H new ATOM 0 HA VAL A 24 0.087 2.658 3.665 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.805 3.536 4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.269 5.384 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.195 5.418 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.599 4.784 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.124 3.213 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.457 2.606 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.665 1.687 2.549 1.00 0.00 H new ATOM 406 N ALA A 25 0.816 3.813 5.707 1.00 0.00 N ATOM 407 CA ALA A 25 1.253 4.559 6.925 1.00 0.00 C ATOM 408 C ALA A 25 0.961 6.054 6.762 1.00 0.00 C ATOM 409 O ALA A 25 0.368 6.674 7.626 1.00 0.00 O ATOM 410 CB ALA A 25 2.760 4.314 7.018 1.00 0.00 C ATOM 0 H ALA A 25 1.554 3.622 5.030 1.00 0.00 H new ATOM 0 HA ALA A 25 0.730 4.229 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.159 4.831 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.950 3.245 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.246 4.692 6.119 1.00 0.00 H new ATOM 416 N SER A 26 1.347 6.625 5.650 1.00 0.00 N ATOM 417 CA SER A 26 1.069 8.072 5.409 1.00 0.00 C ATOM 418 C SER A 26 1.338 8.425 3.943 1.00 0.00 C ATOM 419 O SER A 26 1.480 7.556 3.104 1.00 0.00 O ATOM 420 CB SER A 26 2.035 8.820 6.326 1.00 0.00 C ATOM 421 OG SER A 26 1.836 10.220 6.176 1.00 0.00 O ATOM 0 H SER A 26 1.844 6.150 4.897 1.00 0.00 H new ATOM 0 HA SER A 26 0.030 8.332 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.871 8.527 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.064 8.559 6.080 1.00 0.00 H new ATOM 0 HG SER A 26 0.876 10.418 6.195 1.00 0.00 H new ATOM 427 N VAL A 27 1.437 9.694 3.639 1.00 0.00 N ATOM 428 CA VAL A 27 1.730 10.113 2.235 1.00 0.00 C ATOM 429 C VAL A 27 2.610 11.369 2.237 1.00 0.00 C ATOM 430 O VAL A 27 2.220 12.408 2.736 1.00 0.00 O ATOM 431 CB VAL A 27 0.362 10.411 1.610 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.544 10.844 0.152 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.508 9.151 1.655 1.00 0.00 C ATOM 0 H VAL A 27 1.327 10.460 4.304 1.00 0.00 H new ATOM 0 HA VAL A 27 2.268 9.347 1.677 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.121 11.211 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.430 11.055 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.162 11.741 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.030 10.044 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.480 9.364 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.021 8.352 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.643 8.839 2.691 1.00 0.00 H new ATOM 443 N ASP A 28 3.783 11.282 1.663 1.00 0.00 N ATOM 444 CA ASP A 28 4.684 12.471 1.605 1.00 0.00 C ATOM 445 C ASP A 28 4.484 13.222 0.287 1.00 0.00 C ATOM 446 O ASP A 28 4.627 12.663 -0.783 1.00 0.00 O ATOM 447 CB ASP A 28 6.101 11.898 1.686 1.00 0.00 C ATOM 448 CG ASP A 28 7.000 12.867 2.456 1.00 0.00 C ATOM 449 OD1 ASP A 28 6.625 13.247 3.553 1.00 0.00 O ATOM 450 OD2 ASP A 28 8.049 13.212 1.937 1.00 0.00 O ATOM 0 H ASP A 28 4.156 10.436 1.231 1.00 0.00 H new ATOM 0 HA ASP A 28 4.484 13.180 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.085 10.928 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.497 11.736 0.684 1.00 0.00 H new ATOM 455 N GLN A 29 4.181 14.494 0.360 1.00 0.00 N ATOM 456 CA GLN A 29 4.001 15.301 -0.884 1.00 0.00 C ATOM 457 C GLN A 29 5.278 16.085 -1.195 1.00 0.00 C ATOM 458 O GLN A 29 5.552 17.105 -0.592 1.00 0.00 O ATOM 459 CB GLN A 29 2.848 16.255 -0.573 1.00 0.00 C ATOM 460 CG GLN A 29 2.250 16.777 -1.881 1.00 0.00 C ATOM 461 CD GLN A 29 1.197 17.842 -1.572 1.00 0.00 C ATOM 462 OE1 GLN A 29 0.330 17.635 -0.747 1.00 0.00 O ATOM 463 NE2 GLN A 29 1.235 18.983 -2.205 1.00 0.00 N ATOM 0 H GLN A 29 4.050 15.009 1.231 1.00 0.00 H new ATOM 0 HA GLN A 29 3.792 14.678 -1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.083 15.741 0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.204 17.087 0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.035 17.198 -2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.800 15.957 -2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.963 19.158 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.537 19.700 -2.007 1.00 0.00 H new ATOM 472 N SER A 30 6.048 15.627 -2.151 1.00 0.00 N ATOM 473 CA SER A 30 7.296 16.353 -2.529 1.00 0.00 C ATOM 474 C SER A 30 7.820 15.839 -3.872 1.00 0.00 C ATOM 475 O SER A 30 8.174 16.610 -4.745 1.00 0.00 O ATOM 476 CB SER A 30 8.290 16.042 -1.411 1.00 0.00 C ATOM 477 OG SER A 30 9.346 16.993 -1.443 1.00 0.00 O ATOM 0 H SER A 30 5.864 14.779 -2.687 1.00 0.00 H new ATOM 0 HA SER A 30 7.132 17.425 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.788 16.071 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.688 15.035 -1.533 1.00 0.00 H new ATOM 0 HG SER A 30 9.984 16.797 -0.726 1.00 0.00 H new ATOM 483 N GLY A 31 7.848 14.543 -4.051 1.00 0.00 N ATOM 484 CA GLY A 31 8.321 13.969 -5.345 1.00 0.00 C ATOM 485 C GLY A 31 9.407 12.926 -5.076 1.00 0.00 C ATOM 486 O GLY A 31 10.578 13.166 -5.303 1.00 0.00 O ATOM 0 H GLY A 31 7.562 13.856 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.487 13.512 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.713 14.760 -5.984 1.00 0.00 H new ATOM 490 N ILE A 32 9.021 11.761 -4.621 1.00 0.00 N ATOM 491 CA ILE A 32 10.022 10.681 -4.365 1.00 0.00 C ATOM 492 C ILE A 32 9.732 9.466 -5.253 1.00 0.00 C ATOM 493 O ILE A 32 8.768 9.447 -5.995 1.00 0.00 O ATOM 494 CB ILE A 32 9.862 10.323 -2.883 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.423 9.869 -2.606 1.00 0.00 C ATOM 496 CG2 ILE A 32 10.178 11.550 -2.026 1.00 0.00 C ATOM 497 CD1 ILE A 32 8.333 9.297 -1.189 1.00 0.00 C ATOM 0 H ILE A 32 8.054 11.511 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 32 11.039 11.002 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 32 10.548 9.513 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.738 10.710 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.121 9.116 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.065 11.297 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.203 11.871 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.492 12.358 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.311 8.974 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.007 8.445 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.617 10.064 -0.468 1.00 0.00 H new ATOM 509 N LYS A 33 10.557 8.453 -5.175 1.00 0.00 N ATOM 510 CA LYS A 33 10.332 7.230 -6.007 1.00 0.00 C ATOM 511 C LYS A 33 8.986 6.588 -5.655 1.00 0.00 C ATOM 512 O LYS A 33 8.331 6.003 -6.497 1.00 0.00 O ATOM 513 CB LYS A 33 11.492 6.284 -5.668 1.00 0.00 C ATOM 514 CG LYS A 33 11.492 5.965 -4.168 1.00 0.00 C ATOM 515 CD LYS A 33 12.933 5.833 -3.672 1.00 0.00 C ATOM 516 CE LYS A 33 13.444 7.202 -3.215 1.00 0.00 C ATOM 517 NZ LYS A 33 14.806 6.943 -2.672 1.00 0.00 N ATOM 0 H LYS A 33 11.378 8.419 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 33 10.303 7.461 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.400 5.363 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.440 6.743 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.978 6.754 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.947 5.040 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.981 5.121 -2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.568 5.443 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.478 7.908 -4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.792 7.633 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.222 7.836 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.742 6.273 -1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.406 6.539 -3.419 1.00 0.00 H new ATOM 531 N TYR A 34 8.544 6.750 -4.434 1.00 0.00 N ATOM 532 CA TYR A 34 7.207 6.214 -4.038 1.00 0.00 C ATOM 533 C TYR A 34 6.521 7.174 -3.052 1.00 0.00 C ATOM 534 O TYR A 34 6.791 7.129 -1.868 1.00 0.00 O ATOM 535 CB TYR A 34 7.501 4.873 -3.364 1.00 0.00 C ATOM 536 CG TYR A 34 8.027 3.892 -4.386 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.299 3.639 -5.556 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.243 3.237 -4.164 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.788 2.730 -6.502 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.732 2.327 -5.110 1.00 0.00 C ATOM 541 CZ TYR A 34 9.005 2.075 -6.279 1.00 0.00 C ATOM 542 OH TYR A 34 9.486 1.178 -7.211 1.00 0.00 O ATOM 0 H TYR A 34 9.053 7.232 -3.693 1.00 0.00 H new ATOM 0 HA TYR A 34 6.538 6.103 -4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.232 5.009 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.595 4.481 -2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.361 4.145 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.805 3.433 -3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.226 2.534 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.670 1.820 -4.937 1.00 0.00 H new ATOM 0 HH TYR A 34 10.431 0.994 -7.030 1.00 0.00 H new ATOM 552 N PRO A 35 5.649 8.021 -3.566 1.00 0.00 N ATOM 553 CA PRO A 35 4.928 8.995 -2.696 1.00 0.00 C ATOM 554 C PRO A 35 4.245 8.289 -1.517 1.00 0.00 C ATOM 555 O PRO A 35 4.228 8.794 -0.410 1.00 0.00 O ATOM 556 CB PRO A 35 3.885 9.608 -3.629 1.00 0.00 C ATOM 557 CG PRO A 35 4.446 9.432 -5.002 1.00 0.00 C ATOM 558 CD PRO A 35 5.254 8.162 -4.978 1.00 0.00 C ATOM 0 HA PRO A 35 5.597 9.734 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.922 9.107 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.722 10.661 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.648 9.369 -5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.069 10.283 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.667 7.308 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.124 8.229 -5.632 1.00 0.00 H new ATOM 566 N VAL A 36 3.575 7.194 -1.780 1.00 0.00 N ATOM 567 CA VAL A 36 2.763 6.534 -0.710 1.00 0.00 C ATOM 568 C VAL A 36 3.619 5.510 0.043 1.00 0.00 C ATOM 569 O VAL A 36 4.403 4.790 -0.546 1.00 0.00 O ATOM 570 CB VAL A 36 1.612 5.842 -1.448 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.700 5.138 -0.439 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.796 6.884 -2.219 1.00 0.00 C ATOM 0 H VAL A 36 3.555 6.729 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 36 2.396 7.246 0.029 1.00 0.00 H new ATOM 0 HB VAL A 36 2.023 5.109 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.117 4.647 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.274 4.394 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.293 5.871 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.022 6.390 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.390 7.617 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.438 7.387 -2.941 1.00 0.00 H new ATOM 582 N ILE A 37 3.451 5.424 1.338 1.00 0.00 N ATOM 583 CA ILE A 37 4.226 4.427 2.138 1.00 0.00 C ATOM 584 C ILE A 37 3.332 3.234 2.492 1.00 0.00 C ATOM 585 O ILE A 37 2.232 3.398 2.986 1.00 0.00 O ATOM 586 CB ILE A 37 4.656 5.179 3.404 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.524 6.384 3.019 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.462 4.244 4.312 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.208 7.559 3.947 1.00 0.00 C ATOM 0 H ILE A 37 2.808 6.003 1.878 1.00 0.00 H new ATOM 0 HA ILE A 37 5.084 4.032 1.594 1.00 0.00 H new ATOM 0 HB ILE A 37 3.768 5.524 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.580 6.123 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.336 6.665 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.766 4.782 5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.847 3.389 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.348 3.895 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.825 8.415 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.155 7.825 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.418 7.275 4.978 1.00 0.00 H new ATOM 601 N VAL A 38 3.819 2.036 2.289 1.00 0.00 N ATOM 602 CA VAL A 38 3.025 0.825 2.662 1.00 0.00 C ATOM 603 C VAL A 38 3.759 0.032 3.748 1.00 0.00 C ATOM 604 O VAL A 38 4.963 -0.137 3.696 1.00 0.00 O ATOM 605 CB VAL A 38 2.914 0.003 1.373 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.097 -1.265 1.639 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.216 0.833 0.291 1.00 0.00 C ATOM 0 H VAL A 38 4.734 1.844 1.880 1.00 0.00 H new ATOM 0 HA VAL A 38 2.043 1.080 3.061 1.00 0.00 H new ATOM 0 HB VAL A 38 3.914 -0.270 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.020 -1.847 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.590 -1.861 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.099 -0.990 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.138 0.246 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.218 1.108 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.795 1.736 0.095 1.00 0.00 H new ATOM 617 N ARG A 39 3.033 -0.500 4.699 1.00 0.00 N ATOM 618 CA ARG A 39 3.670 -1.338 5.757 1.00 0.00 C ATOM 619 C ARG A 39 3.395 -2.821 5.493 1.00 0.00 C ATOM 620 O ARG A 39 2.497 -3.170 4.750 1.00 0.00 O ATOM 621 CB ARG A 39 3.014 -0.894 7.064 1.00 0.00 C ATOM 622 CG ARG A 39 4.025 -1.001 8.206 1.00 0.00 C ATOM 623 CD ARG A 39 3.296 -1.366 9.502 1.00 0.00 C ATOM 624 NE ARG A 39 2.974 -0.057 10.146 1.00 0.00 N ATOM 625 CZ ARG A 39 3.894 0.641 10.782 1.00 0.00 C ATOM 626 NH1 ARG A 39 5.144 0.241 10.842 1.00 0.00 N ATOM 627 NH2 ARG A 39 3.555 1.759 11.366 1.00 0.00 N ATOM 0 H ARG A 39 2.023 -0.389 4.787 1.00 0.00 H new ATOM 0 HA ARG A 39 4.753 -1.216 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.659 0.133 6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.144 -1.515 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.774 -1.757 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.554 -0.055 8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.391 -1.939 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.923 -1.980 10.148 1.00 0.00 H new ATOM 0 HE ARG A 39 2.022 0.305 10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.423 -0.629 10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.835 0.801 11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.588 2.082 11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.257 2.309 11.862 1.00 0.00 H new ATOM 641 N PHE A 40 4.150 -3.693 6.113 1.00 0.00 N ATOM 642 CA PHE A 40 3.925 -5.157 5.922 1.00 0.00 C ATOM 643 C PHE A 40 4.020 -5.887 7.264 1.00 0.00 C ATOM 644 O PHE A 40 4.872 -5.592 8.081 1.00 0.00 O ATOM 645 CB PHE A 40 5.046 -5.610 4.986 1.00 0.00 C ATOM 646 CG PHE A 40 4.829 -5.018 3.614 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.621 -5.237 2.940 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.834 -4.250 3.016 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.419 -4.687 1.668 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.633 -3.700 1.744 1.00 0.00 C ATOM 651 CZ PHE A 40 4.425 -3.920 1.070 1.00 0.00 C ATOM 0 H PHE A 40 4.914 -3.453 6.745 1.00 0.00 H new ATOM 0 HA PHE A 40 2.938 -5.373 5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.012 -5.296 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.065 -6.698 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.845 -5.830 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.766 -4.081 3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.487 -4.855 1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.409 -3.107 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.270 -3.497 0.088 1.00 0.00 H new ATOM 661 N GLU A 41 3.190 -6.878 7.469 1.00 0.00 N ATOM 662 CA GLU A 41 3.269 -7.683 8.724 1.00 0.00 C ATOM 663 C GLU A 41 4.315 -8.792 8.574 1.00 0.00 C ATOM 664 O GLU A 41 4.949 -9.190 9.534 1.00 0.00 O ATOM 665 CB GLU A 41 1.873 -8.282 8.900 1.00 0.00 C ATOM 666 CG GLU A 41 0.908 -7.195 9.376 1.00 0.00 C ATOM 667 CD GLU A 41 -0.525 -7.588 9.008 1.00 0.00 C ATOM 668 OE1 GLU A 41 -0.848 -7.538 7.834 1.00 0.00 O ATOM 669 OE2 GLU A 41 -1.273 -7.932 9.909 1.00 0.00 O ATOM 0 H GLU A 41 2.459 -7.165 6.818 1.00 0.00 H new ATOM 0 HA GLU A 41 3.564 -7.081 9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.525 -8.704 7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.904 -9.098 9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.995 -7.064 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.164 -6.240 8.917 1.00 0.00 H new ATOM 676 N LYS A 42 4.523 -9.264 7.372 1.00 0.00 N ATOM 677 CA LYS A 42 5.557 -10.316 7.142 1.00 0.00 C ATOM 678 C LYS A 42 6.939 -9.675 6.989 1.00 0.00 C ATOM 679 O LYS A 42 7.056 -8.507 6.670 1.00 0.00 O ATOM 680 CB LYS A 42 5.140 -11.005 5.842 1.00 0.00 C ATOM 681 CG LYS A 42 5.746 -12.409 5.790 1.00 0.00 C ATOM 682 CD LYS A 42 4.816 -13.338 5.008 1.00 0.00 C ATOM 683 CE LYS A 42 3.784 -13.946 5.959 1.00 0.00 C ATOM 684 NZ LYS A 42 3.366 -15.221 5.309 1.00 0.00 N ATOM 0 H LYS A 42 4.019 -8.965 6.537 1.00 0.00 H new ATOM 0 HA LYS A 42 5.622 -11.018 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.053 -11.064 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.475 -10.421 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.727 -12.376 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.893 -12.791 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.313 -12.784 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.393 -14.128 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.214 -14.127 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.935 -13.278 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.657 -15.697 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.955 -15.016 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.194 -15.840 5.194 1.00 0.00 H new ATOM 698 N VAL A 43 7.980 -10.460 7.109 1.00 0.00 N ATOM 699 CA VAL A 43 9.355 -9.932 6.854 1.00 0.00 C ATOM 700 C VAL A 43 9.881 -10.450 5.512 1.00 0.00 C ATOM 701 O VAL A 43 9.172 -11.105 4.770 1.00 0.00 O ATOM 702 CB VAL A 43 10.213 -10.455 8.014 1.00 0.00 C ATOM 703 CG1 VAL A 43 9.687 -9.885 9.332 1.00 0.00 C ATOM 704 CG2 VAL A 43 10.155 -11.988 8.064 1.00 0.00 C ATOM 0 H VAL A 43 7.937 -11.444 7.373 1.00 0.00 H new ATOM 0 HA VAL A 43 9.373 -8.843 6.801 1.00 0.00 H new ATOM 0 HB VAL A 43 11.246 -10.142 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.295 -10.255 10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.738 -8.797 9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.652 -10.196 9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.767 -12.348 8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.123 -12.309 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.533 -12.397 7.127 1.00 0.00 H new ATOM 714 N ASN A 44 11.130 -10.194 5.215 1.00 0.00 N ATOM 715 CA ASN A 44 11.722 -10.704 3.943 1.00 0.00 C ATOM 716 C ASN A 44 13.113 -11.294 4.202 1.00 0.00 C ATOM 717 O ASN A 44 13.466 -11.599 5.326 1.00 0.00 O ATOM 718 CB ASN A 44 11.813 -9.480 3.021 1.00 0.00 C ATOM 719 CG ASN A 44 12.684 -8.393 3.665 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.025 -8.474 4.829 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.059 -7.369 2.948 1.00 0.00 N ATOM 0 H ASN A 44 11.766 -9.652 5.801 1.00 0.00 H new ATOM 0 HA ASN A 44 11.121 -11.498 3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.235 -9.771 2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.815 -9.088 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.637 -6.639 3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.774 -7.299 1.971 1.00 0.00 H new ATOM 728 N TYR A 45 13.880 -11.503 3.162 1.00 0.00 N ATOM 729 CA TYR A 45 15.228 -12.129 3.332 1.00 0.00 C ATOM 730 C TYR A 45 16.111 -11.252 4.224 1.00 0.00 C ATOM 731 O TYR A 45 17.018 -11.734 4.877 1.00 0.00 O ATOM 732 CB TYR A 45 15.813 -12.217 1.920 1.00 0.00 C ATOM 733 CG TYR A 45 14.991 -13.176 1.094 1.00 0.00 C ATOM 734 CD1 TYR A 45 14.872 -14.514 1.485 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.347 -12.725 -0.066 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.109 -15.403 0.718 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.584 -13.614 -0.833 1.00 0.00 C ATOM 738 CZ TYR A 45 13.466 -14.953 -0.441 1.00 0.00 C ATOM 739 OH TYR A 45 12.714 -15.829 -1.197 1.00 0.00 O ATOM 0 H TYR A 45 13.631 -11.267 2.201 1.00 0.00 H new ATOM 0 HA TYR A 45 15.167 -13.108 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.818 -11.231 1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 45 16.849 -12.554 1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.369 -14.861 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.439 -11.692 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.017 -16.436 1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.087 -13.267 -1.727 1.00 0.00 H new ATOM 0 HH TYR A 45 12.335 -15.355 -1.967 1.00 0.00 H new ATOM 749 N SER A 46 15.877 -9.964 4.223 1.00 0.00 N ATOM 750 CA SER A 46 16.728 -9.043 5.033 1.00 0.00 C ATOM 751 C SER A 46 16.186 -8.937 6.461 1.00 0.00 C ATOM 752 O SER A 46 16.933 -8.978 7.421 1.00 0.00 O ATOM 753 CB SER A 46 16.635 -7.693 4.323 1.00 0.00 C ATOM 754 OG SER A 46 17.621 -7.630 3.302 1.00 0.00 O ATOM 0 H SER A 46 15.132 -9.511 3.695 1.00 0.00 H new ATOM 0 HA SER A 46 17.757 -9.394 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.642 -7.563 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.782 -6.883 5.037 1.00 0.00 H new ATOM 0 HG SER A 46 17.563 -6.766 2.844 1.00 0.00 H new ATOM 760 N GLY A 47 14.898 -8.754 6.603 1.00 0.00 N ATOM 761 CA GLY A 47 14.305 -8.590 7.962 1.00 0.00 C ATOM 762 C GLY A 47 13.687 -7.195 8.084 1.00 0.00 C ATOM 763 O GLY A 47 14.078 -6.407 8.924 1.00 0.00 O ATOM 0 H GLY A 47 14.230 -8.711 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.545 -9.352 8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.072 -8.728 8.724 1.00 0.00 H new ATOM 767 N ILE A 55 12.765 -6.870 7.216 1.00 0.00 N ATOM 768 CA ILE A 55 12.159 -5.503 7.233 1.00 0.00 C ATOM 769 C ILE A 55 10.630 -5.611 7.226 1.00 0.00 C ATOM 770 O ILE A 55 10.073 -6.617 6.831 1.00 0.00 O ATOM 771 CB ILE A 55 12.662 -4.827 5.951 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.193 -4.768 5.970 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.104 -3.405 5.863 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.707 -4.430 4.569 1.00 0.00 C ATOM 0 H ILE A 55 12.404 -7.493 6.494 1.00 0.00 H new ATOM 0 HA ILE A 55 12.435 -4.935 8.122 1.00 0.00 H new ATOM 0 HB ILE A 55 12.327 -5.403 5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.530 -4.016 6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.601 -5.724 6.298 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.464 -2.929 4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.015 -3.442 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.435 -2.830 6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.796 -4.388 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.382 -5.198 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.310 -3.463 4.259 1.00 0.00 H new ATOM 786 N ASN A 56 9.951 -4.575 7.653 1.00 0.00 N ATOM 787 CA ASN A 56 8.456 -4.605 7.664 1.00 0.00 C ATOM 788 C ASN A 56 7.892 -3.237 7.265 1.00 0.00 C ATOM 789 O ASN A 56 6.781 -2.890 7.620 1.00 0.00 O ATOM 790 CB ASN A 56 8.071 -4.953 9.107 1.00 0.00 C ATOM 791 CG ASN A 56 8.643 -3.907 10.071 1.00 0.00 C ATOM 792 OD1 ASN A 56 9.843 -3.781 10.206 1.00 0.00 O ATOM 793 ND2 ASN A 56 7.826 -3.150 10.751 1.00 0.00 N ATOM 0 H ASN A 56 10.368 -3.709 7.995 1.00 0.00 H new ATOM 0 HA ASN A 56 8.055 -5.328 6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.986 -4.992 9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.450 -5.942 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.195 -2.452 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.818 -3.256 10.637 1.00 0.00 H new ATOM 800 N THR A 57 8.626 -2.488 6.481 1.00 0.00 N ATOM 801 CA THR A 57 8.112 -1.172 5.995 1.00 0.00 C ATOM 802 C THR A 57 8.799 -0.790 4.680 1.00 0.00 C ATOM 803 O THR A 57 9.997 -0.938 4.533 1.00 0.00 O ATOM 804 CB THR A 57 8.470 -0.174 7.097 1.00 0.00 C ATOM 805 OG1 THR A 57 9.786 -0.435 7.562 1.00 0.00 O ATOM 806 CG2 THR A 57 7.480 -0.313 8.255 1.00 0.00 C ATOM 0 H THR A 57 9.561 -2.732 6.156 1.00 0.00 H new ATOM 0 HA THR A 57 7.040 -1.194 5.799 1.00 0.00 H new ATOM 0 HB THR A 57 8.420 0.840 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.390 -0.535 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.736 0.399 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.471 -0.111 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.527 -1.326 8.654 1.00 0.00 H new ATOM 814 N ASN A 58 8.049 -0.283 3.735 1.00 0.00 N ATOM 815 CA ASN A 58 8.653 0.133 2.434 1.00 0.00 C ATOM 816 C ASN A 58 7.874 1.310 1.841 1.00 0.00 C ATOM 817 O ASN A 58 7.061 1.923 2.505 1.00 0.00 O ATOM 818 CB ASN A 58 8.537 -1.097 1.533 1.00 0.00 C ATOM 819 CG ASN A 58 9.835 -1.902 1.595 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.142 -2.508 2.603 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.618 -1.935 0.551 1.00 0.00 N ATOM 0 H ASN A 58 7.042 -0.139 3.809 1.00 0.00 H new ATOM 0 HA ASN A 58 9.687 0.461 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.698 -1.716 1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.336 -0.791 0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.487 -2.469 0.582 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.361 -1.427 -0.295 1.00 0.00 H new ATOM 828 N ASN A 59 8.126 1.631 0.596 1.00 0.00 N ATOM 829 CA ASN A 59 7.409 2.772 -0.048 1.00 0.00 C ATOM 830 C ASN A 59 6.933 2.375 -1.447 1.00 0.00 C ATOM 831 O ASN A 59 7.689 1.849 -2.243 1.00 0.00 O ATOM 832 CB ASN A 59 8.446 3.894 -0.133 1.00 0.00 C ATOM 833 CG ASN A 59 8.896 4.285 1.276 1.00 0.00 C ATOM 834 OD1 ASN A 59 7.997 4.500 2.197 1.00 0.00 O flip ATOM 835 ND2 ASN A 59 10.076 4.397 1.541 1.00 0.00 N flip ATOM 0 H ASN A 59 8.798 1.151 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 59 6.526 3.075 0.514 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.303 3.567 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.020 4.758 -0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.779 4.229 0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.364 4.659 2.484 1.00 0.00 H new ATOM 842 N PHE A 60 5.694 2.658 -1.764 1.00 0.00 N ATOM 843 CA PHE A 60 5.171 2.338 -3.127 1.00 0.00 C ATOM 844 C PHE A 60 4.412 3.539 -3.698 1.00 0.00 C ATOM 845 O PHE A 60 3.971 4.408 -2.969 1.00 0.00 O ATOM 846 CB PHE A 60 4.224 1.155 -2.921 1.00 0.00 C ATOM 847 CG PHE A 60 5.000 -0.027 -2.390 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.305 -0.108 -1.026 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.415 -1.042 -3.262 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.023 -1.203 -0.533 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.135 -2.136 -2.768 1.00 0.00 C ATOM 852 CZ PHE A 60 6.438 -2.218 -1.404 1.00 0.00 C ATOM 0 H PHE A 60 5.021 3.098 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 60 5.970 2.103 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.432 1.427 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.742 0.893 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.986 0.675 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.180 -0.980 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.257 -1.265 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.457 -2.918 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.992 -3.064 -1.023 1.00 0.00 H new ATOM 862 N ALA A 61 4.212 3.563 -4.991 1.00 0.00 N ATOM 863 CA ALA A 61 3.429 4.673 -5.613 1.00 0.00 C ATOM 864 C ALA A 61 1.931 4.358 -5.556 1.00 0.00 C ATOM 865 O ALA A 61 1.529 3.210 -5.579 1.00 0.00 O ATOM 866 CB ALA A 61 3.908 4.732 -7.065 1.00 0.00 C ATOM 0 H ALA A 61 4.558 2.860 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 61 3.576 5.622 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.378 5.526 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.979 4.934 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.709 3.778 -7.553 1.00 0.00 H new ATOM 872 N GLU A 62 1.109 5.369 -5.424 1.00 0.00 N ATOM 873 CA GLU A 62 -0.363 5.134 -5.295 1.00 0.00 C ATOM 874 C GLU A 62 -0.899 4.408 -6.536 1.00 0.00 C ATOM 875 O GLU A 62 -1.852 3.656 -6.461 1.00 0.00 O ATOM 876 CB GLU A 62 -0.993 6.527 -5.166 1.00 0.00 C ATOM 877 CG GLU A 62 -0.652 7.376 -6.396 1.00 0.00 C ATOM 878 CD GLU A 62 -1.462 8.673 -6.362 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.320 9.412 -5.402 1.00 0.00 O ATOM 880 OE2 GLU A 62 -2.212 8.904 -7.296 1.00 0.00 O ATOM 0 H GLU A 62 1.394 6.348 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.600 4.507 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.075 6.437 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.628 7.017 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.414 7.601 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.873 6.820 -7.307 1.00 0.00 H new ATOM 887 N ASP A 63 -0.264 4.599 -7.665 1.00 0.00 N ATOM 888 CA ASP A 63 -0.703 3.888 -8.906 1.00 0.00 C ATOM 889 C ASP A 63 -0.334 2.401 -8.833 1.00 0.00 C ATOM 890 O ASP A 63 -0.964 1.569 -9.458 1.00 0.00 O ATOM 891 CB ASP A 63 0.042 4.578 -10.056 1.00 0.00 C ATOM 892 CG ASP A 63 1.555 4.476 -9.840 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.071 5.238 -9.039 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.170 3.639 -10.478 1.00 0.00 O ATOM 0 H ASP A 63 0.539 5.216 -7.782 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.784 3.935 -9.041 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.230 4.115 -11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.255 5.625 -10.115 1.00 0.00 H new ATOM 899 N GLU A 64 0.662 2.061 -8.051 1.00 0.00 N ATOM 900 CA GLU A 64 1.051 0.626 -7.908 1.00 0.00 C ATOM 901 C GLU A 64 0.400 0.018 -6.660 1.00 0.00 C ATOM 902 O GLU A 64 0.905 -0.929 -6.088 1.00 0.00 O ATOM 903 CB GLU A 64 2.573 0.640 -7.761 1.00 0.00 C ATOM 904 CG GLU A 64 3.216 0.902 -9.125 1.00 0.00 C ATOM 905 CD GLU A 64 4.598 1.527 -8.927 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.755 2.287 -7.985 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.478 1.235 -9.721 1.00 0.00 O ATOM 0 H GLU A 64 1.222 2.717 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 64 0.727 0.027 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.873 1.411 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.919 -0.313 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.304 -0.030 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.585 1.568 -9.714 1.00 0.00 H new ATOM 914 N LEU A 65 -0.735 0.534 -6.261 1.00 0.00 N ATOM 915 CA LEU A 65 -1.447 -0.037 -5.079 1.00 0.00 C ATOM 916 C LEU A 65 -2.953 -0.105 -5.348 1.00 0.00 C ATOM 917 O LEU A 65 -3.599 0.905 -5.555 1.00 0.00 O ATOM 918 CB LEU A 65 -1.152 0.933 -3.932 1.00 0.00 C ATOM 919 CG LEU A 65 0.322 0.824 -3.538 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.653 1.897 -2.499 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.589 -0.560 -2.941 1.00 0.00 C ATOM 0 H LEU A 65 -1.199 1.327 -6.704 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.119 -1.051 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.384 1.954 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.786 0.704 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 65 0.945 0.967 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.703 1.820 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.462 2.884 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.030 1.753 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.639 -0.639 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.034 -0.702 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.353 -1.326 -3.679 1.00 0.00 H new ATOM 933 N VAL A 66 -3.525 -1.278 -5.262 1.00 0.00 N ATOM 934 CA VAL A 66 -5.006 -1.408 -5.416 1.00 0.00 C ATOM 935 C VAL A 66 -5.679 -1.383 -4.040 1.00 0.00 C ATOM 936 O VAL A 66 -5.094 -1.775 -3.048 1.00 0.00 O ATOM 937 CB VAL A 66 -5.221 -2.765 -6.100 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.717 -3.000 -6.319 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.506 -2.775 -7.455 1.00 0.00 C ATOM 0 H VAL A 66 -3.030 -2.153 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.436 -0.592 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.817 -3.554 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.867 -3.964 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.231 -2.994 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.121 -2.209 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.659 -3.739 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.910 -1.983 -8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.439 -2.610 -7.305 1.00 0.00 H new ATOM 949 N GLU A 67 -6.899 -0.912 -3.975 1.00 0.00 N ATOM 950 CA GLU A 67 -7.612 -0.843 -2.664 1.00 0.00 C ATOM 951 C GLU A 67 -8.247 -2.197 -2.336 1.00 0.00 C ATOM 952 O GLU A 67 -9.001 -2.744 -3.119 1.00 0.00 O ATOM 953 CB GLU A 67 -8.691 0.224 -2.856 1.00 0.00 C ATOM 954 CG GLU A 67 -8.176 1.571 -2.342 1.00 0.00 C ATOM 955 CD GLU A 67 -8.750 2.699 -3.202 1.00 0.00 C ATOM 956 OE1 GLU A 67 -9.930 2.977 -3.068 1.00 0.00 O ATOM 957 OE2 GLU A 67 -7.999 3.265 -3.979 1.00 0.00 O ATOM 0 H GLU A 67 -7.432 -0.572 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.941 -0.600 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.956 0.303 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.597 -0.059 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.466 1.710 -1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.087 1.592 -2.375 1.00 0.00 H new ATOM 964 N VAL A 68 -7.982 -2.716 -1.164 1.00 0.00 N ATOM 965 CA VAL A 68 -8.604 -4.011 -0.752 1.00 0.00 C ATOM 966 C VAL A 68 -8.888 -4.007 0.754 1.00 0.00 C ATOM 967 O VAL A 68 -8.234 -4.692 1.520 1.00 0.00 O ATOM 968 CB VAL A 68 -7.573 -5.089 -1.113 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.323 -5.069 -2.622 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.254 -4.824 -0.375 1.00 0.00 C ATOM 0 H VAL A 68 -7.360 -2.297 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.557 -4.187 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.959 -6.064 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.591 -5.834 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.257 -5.268 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.943 -4.090 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.529 -5.594 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.866 -3.847 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.429 -4.842 0.701 1.00 0.00 H new ATOM 980 N GLU A 69 -9.860 -3.242 1.181 1.00 0.00 N ATOM 981 CA GLU A 69 -10.195 -3.189 2.638 1.00 0.00 C ATOM 982 C GLU A 69 -10.622 -4.573 3.133 1.00 0.00 C ATOM 983 O GLU A 69 -11.045 -5.414 2.362 1.00 0.00 O ATOM 984 CB GLU A 69 -11.358 -2.199 2.751 1.00 0.00 C ATOM 985 CG GLU A 69 -11.315 -1.514 4.117 1.00 0.00 C ATOM 986 CD GLU A 69 -12.081 -0.192 4.050 1.00 0.00 C ATOM 987 OE1 GLU A 69 -13.300 -0.237 4.031 1.00 0.00 O ATOM 988 OE2 GLU A 69 -11.436 0.843 4.020 1.00 0.00 O ATOM 0 H GLU A 69 -10.437 -2.651 0.583 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.342 -2.882 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.294 -1.455 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.307 -2.720 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.754 -2.163 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.282 -1.333 4.412 1.00 0.00 H new ATOM 995 N ALA A 70 -10.527 -4.808 4.418 1.00 0.00 N ATOM 996 CA ALA A 70 -10.941 -6.133 4.978 1.00 0.00 C ATOM 997 C ALA A 70 -12.429 -6.397 4.676 1.00 0.00 C ATOM 998 O ALA A 70 -13.285 -5.727 5.218 1.00 0.00 O ATOM 999 CB ALA A 70 -10.721 -6.017 6.488 1.00 0.00 C ATOM 0 H ALA A 70 -10.180 -4.139 5.105 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.373 -6.956 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.003 -6.953 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.670 -5.809 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.333 -5.206 6.884 1.00 0.00 H new ATOM 1005 N PRO A 71 -12.703 -7.365 3.818 1.00 0.00 N ATOM 1006 CA PRO A 71 -14.117 -7.689 3.468 1.00 0.00 C ATOM 1007 C PRO A 71 -14.953 -7.942 4.730 1.00 0.00 C ATOM 1008 O PRO A 71 -14.464 -7.831 5.839 1.00 0.00 O ATOM 1009 CB PRO A 71 -13.999 -8.967 2.640 1.00 0.00 C ATOM 1010 CG PRO A 71 -12.616 -8.937 2.082 1.00 0.00 C ATOM 1011 CD PRO A 71 -11.756 -8.235 3.098 1.00 0.00 C ATOM 0 HA PRO A 71 -14.614 -6.878 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.157 -9.852 3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.745 -8.993 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.251 -9.947 1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.595 -8.411 1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.272 -8.943 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.964 -7.657 2.621 1.00 0.00 H new ATOM 1019 N LYS A 72 -16.193 -8.323 4.563 1.00 0.00 N ATOM 1020 CA LYS A 72 -17.054 -8.636 5.744 1.00 0.00 C ATOM 1021 C LYS A 72 -16.729 -10.033 6.280 1.00 0.00 C ATOM 1022 O LYS A 72 -15.750 -10.643 5.890 1.00 0.00 O ATOM 1023 CB LYS A 72 -18.489 -8.582 5.218 1.00 0.00 C ATOM 1024 CG LYS A 72 -19.071 -7.189 5.463 1.00 0.00 C ATOM 1025 CD LYS A 72 -20.084 -6.859 4.365 1.00 0.00 C ATOM 1026 CE LYS A 72 -20.416 -5.366 4.408 1.00 0.00 C ATOM 1027 NZ LYS A 72 -19.327 -4.706 3.636 1.00 0.00 N ATOM 0 H LYS A 72 -16.648 -8.431 3.657 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.897 -7.937 6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.506 -8.812 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.099 -9.335 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -19.553 -7.151 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -18.273 -6.446 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.677 -7.124 3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -20.991 -7.448 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -21.391 -5.166 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -20.451 -4.999 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.098 -3.790 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.482 -5.313 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.640 -4.553 2.656 1.00 0.00 H new ATOM 1041 N ALA A 73 -17.553 -10.547 7.156 1.00 0.00 N ATOM 1042 CA ALA A 73 -17.309 -11.916 7.709 1.00 0.00 C ATOM 1043 C ALA A 73 -17.342 -12.953 6.584 1.00 0.00 C ATOM 1044 O ALA A 73 -17.953 -12.742 5.553 1.00 0.00 O ATOM 1045 CB ALA A 73 -18.451 -12.162 8.697 1.00 0.00 C ATOM 0 H ALA A 73 -18.386 -10.079 7.514 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.334 -11.996 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -18.339 -13.150 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.424 -11.404 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.405 -12.107 8.172 1.00 0.00 H new ATOM 1051 N LYS A 74 -16.706 -14.078 6.785 1.00 0.00 N ATOM 1052 CA LYS A 74 -16.713 -15.147 5.741 1.00 0.00 C ATOM 1053 C LYS A 74 -17.511 -16.364 6.233 1.00 0.00 C ATOM 1054 O LYS A 74 -16.976 -17.208 6.925 1.00 0.00 O ATOM 1055 CB LYS A 74 -15.242 -15.516 5.543 1.00 0.00 C ATOM 1056 CG LYS A 74 -14.531 -14.392 4.785 1.00 0.00 C ATOM 1057 CD LYS A 74 -13.017 -14.596 4.871 1.00 0.00 C ATOM 1058 CE LYS A 74 -12.463 -13.812 6.064 1.00 0.00 C ATOM 1059 NZ LYS A 74 -11.066 -14.299 6.229 1.00 0.00 N ATOM 0 H LYS A 74 -16.180 -14.303 7.630 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.179 -14.815 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.763 -15.677 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.162 -16.451 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.849 -14.384 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.803 -13.425 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.788 -15.656 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.541 -14.261 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.487 -12.739 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.053 -13.992 6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.619 -13.807 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.075 -15.323 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.527 -14.108 5.360 1.00 0.00 H new ATOM 1073 N PRO A 75 -18.777 -16.425 5.863 1.00 0.00 N ATOM 1074 CA PRO A 75 -19.641 -17.565 6.285 1.00 0.00 C ATOM 1075 C PRO A 75 -18.991 -18.909 5.930 1.00 0.00 C ATOM 1076 O PRO A 75 -18.855 -19.253 4.771 1.00 0.00 O ATOM 1077 CB PRO A 75 -20.923 -17.361 5.480 1.00 0.00 C ATOM 1078 CG PRO A 75 -20.953 -15.902 5.166 1.00 0.00 C ATOM 1079 CD PRO A 75 -19.521 -15.459 5.034 1.00 0.00 C ATOM 0 HA PRO A 75 -19.810 -17.588 7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.917 -17.961 4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -21.801 -17.660 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -21.502 -15.716 4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -21.459 -15.346 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.189 -15.483 3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -19.384 -14.438 5.389 1.00 0.00 H new ATOM 1087 N LYS A 76 -18.619 -19.676 6.922 1.00 0.00 N ATOM 1088 CA LYS A 76 -18.007 -21.013 6.655 1.00 0.00 C ATOM 1089 C LYS A 76 -19.094 -22.092 6.612 1.00 0.00 C ATOM 1090 O LYS A 76 -18.969 -23.133 7.230 1.00 0.00 O ATOM 1091 CB LYS A 76 -17.055 -21.255 7.826 1.00 0.00 C ATOM 1092 CG LYS A 76 -15.804 -21.979 7.327 1.00 0.00 C ATOM 1093 CD LYS A 76 -14.614 -21.617 8.217 1.00 0.00 C ATOM 1094 CE LYS A 76 -14.808 -22.232 9.605 1.00 0.00 C ATOM 1095 NZ LYS A 76 -14.047 -23.513 9.566 1.00 0.00 N ATOM 0 H LYS A 76 -18.713 -19.434 7.908 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.488 -21.047 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.779 -20.306 8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.550 -21.850 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.966 -23.057 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.597 -21.699 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.689 -21.983 7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.523 -20.534 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.431 -21.572 10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.863 -22.405 9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.131 -23.995 10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.433 -24.123 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.045 -23.316 9.369 1.00 0.00 H new ATOM 1109 N LYS A 77 -20.144 -21.858 5.868 1.00 0.00 N ATOM 1110 CA LYS A 77 -21.232 -22.877 5.757 1.00 0.00 C ATOM 1111 C LYS A 77 -21.985 -22.706 4.433 1.00 0.00 C ATOM 1112 O LYS A 77 -22.933 -23.442 4.214 1.00 0.00 O ATOM 1113 CB LYS A 77 -22.159 -22.610 6.949 1.00 0.00 C ATOM 1114 CG LYS A 77 -22.708 -21.178 6.882 1.00 0.00 C ATOM 1115 CD LYS A 77 -24.092 -21.191 6.230 1.00 0.00 C ATOM 1116 CE LYS A 77 -24.848 -19.917 6.611 1.00 0.00 C ATOM 1117 NZ LYS A 77 -26.281 -20.320 6.660 1.00 0.00 N ATOM 1118 OXT LYS A 77 -21.599 -21.845 3.660 1.00 0.00 O ATOM 0 H LYS A 77 -20.296 -21.004 5.331 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.845 -23.896 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.983 -23.324 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.615 -22.756 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.771 -20.754 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.031 -20.544 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.995 -21.258 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.650 -22.069 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.513 -19.532 7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -24.685 -19.127 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.864 -19.498 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -26.574 -20.676 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -26.407 -21.068 7.371 1.00 0.00 H new TER 1132 LYS A 77