USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 599 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 56 HIS : no HD1:sc= -1.77! K(o=-2.7!,f=-2.1) USER MOD Set 1.2: A 58 ASN : amide:sc= -0.965 K(o=-2.7,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0293 (180deg=-0.587) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 26:sc= 0.0721 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 39 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.6) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00196 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.17 K(o=-1.2,f=-8.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.360 -9.358 3.731 1.00 0.00 N ATOM 2 CA MET A 1 1.008 -9.302 3.098 1.00 0.00 C ATOM 3 C MET A 1 0.115 -8.263 3.783 1.00 0.00 C ATOM 4 O MET A 1 -1.087 -8.475 3.941 1.00 0.00 O ATOM 5 CB MET A 1 0.365 -10.696 3.183 1.00 0.00 C ATOM 6 CG MET A 1 0.429 -11.318 4.571 1.00 0.00 C ATOM 7 SD MET A 1 -0.523 -12.844 4.698 1.00 0.00 S ATOM 8 CE MET A 1 0.276 -13.627 6.098 1.00 0.00 C ATOM 0 H1 MET A 1 2.849 -10.224 3.428 1.00 0.00 H new ATOM 0 H2 MET A 1 2.914 -8.527 3.440 1.00 0.00 H new ATOM 0 H3 MET A 1 2.259 -9.361 4.766 1.00 0.00 H new ATOM 0 HA MET A 1 1.116 -9.003 2.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.678 -10.624 2.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.862 -11.359 2.475 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.469 -11.522 4.825 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.057 -10.601 5.303 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.203 -14.585 6.301 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.330 -13.789 5.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.187 -12.984 6.974 1.00 0.00 H new ATOM 20 N GLU A 2 0.712 -7.142 4.190 1.00 0.00 N ATOM 21 CA GLU A 2 -0.029 -6.075 4.860 1.00 0.00 C ATOM 22 C GLU A 2 0.629 -4.721 4.613 1.00 0.00 C ATOM 23 O GLU A 2 1.759 -4.650 4.130 1.00 0.00 O ATOM 24 CB GLU A 2 -0.119 -6.339 6.370 1.00 0.00 C ATOM 25 CG GLU A 2 -0.145 -7.815 6.749 1.00 0.00 C ATOM 26 CD GLU A 2 -0.010 -8.042 8.243 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.925 -7.477 8.851 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.837 -8.788 8.806 1.00 0.00 O ATOM 0 H GLU A 2 1.706 -6.950 4.067 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.036 -6.059 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.731 -5.865 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.019 -5.861 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.079 -8.258 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.664 -8.332 6.233 1.00 0.00 H new ATOM 35 N TRP A 3 -0.082 -3.647 4.946 1.00 0.00 N ATOM 36 CA TRP A 3 0.441 -2.295 4.762 1.00 0.00 C ATOM 37 C TRP A 3 -0.217 -1.309 5.722 1.00 0.00 C ATOM 38 O TRP A 3 -1.237 -1.610 6.343 1.00 0.00 O ATOM 39 CB TRP A 3 0.254 -1.802 3.315 1.00 0.00 C ATOM 40 CG TRP A 3 -0.742 -2.576 2.494 1.00 0.00 C ATOM 41 CD1 TRP A 3 -1.980 -2.998 2.878 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.576 -3.005 1.138 1.00 0.00 C ATOM 43 NE1 TRP A 3 -2.590 -3.674 1.849 1.00 0.00 N ATOM 44 CE2 TRP A 3 -1.749 -3.689 0.769 1.00 0.00 C ATOM 45 CE3 TRP A 3 0.452 -2.879 0.201 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.922 -4.243 -0.497 1.00 0.00 C ATOM 47 CZ3 TRP A 3 0.280 -3.429 -1.054 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.898 -4.103 -1.394 1.00 0.00 C ATOM 0 H TRP A 3 -1.020 -3.686 5.344 1.00 0.00 H new ATOM 0 HA TRP A 3 1.508 -2.343 4.978 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.056 -0.757 3.342 1.00 0.00 H new ATOM 0 HB3 TRP A 3 1.219 -1.835 2.810 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.418 -2.826 3.850 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -3.518 -4.096 1.884 1.00 0.00 H new ATOM 0 HE3 TRP A 3 1.365 -2.361 0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -2.831 -4.764 -0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.069 -3.337 -1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -1.001 -4.521 -2.384 1.00 0.00 H new ATOM 59 N LYS A 4 0.377 -0.124 5.820 1.00 0.00 N ATOM 60 CA LYS A 4 -0.134 0.939 6.677 1.00 0.00 C ATOM 61 C LYS A 4 -0.079 2.262 5.926 1.00 0.00 C ATOM 62 O LYS A 4 0.694 2.402 4.978 1.00 0.00 O ATOM 63 CB LYS A 4 0.682 1.035 7.967 1.00 0.00 C ATOM 64 CG LYS A 4 0.532 -0.173 8.877 1.00 0.00 C ATOM 65 CD LYS A 4 1.145 0.081 10.245 1.00 0.00 C ATOM 66 CE LYS A 4 0.256 0.977 11.096 1.00 0.00 C ATOM 67 NZ LYS A 4 0.989 1.549 12.258 1.00 0.00 N ATOM 0 H LYS A 4 1.224 0.126 5.309 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.166 0.712 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.735 1.158 7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.379 1.929 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.525 -0.416 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.011 -1.038 8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.303 -0.869 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.124 0.545 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.137 1.787 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.600 0.404 11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.347 2.152 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.342 0.778 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.791 2.117 11.917 1.00 0.00 H new ATOM 81 N LEU A 5 -0.901 3.227 6.328 1.00 0.00 N ATOM 82 CA LEU A 5 -0.916 4.520 5.652 1.00 0.00 C ATOM 83 C LEU A 5 -1.210 5.668 6.610 1.00 0.00 C ATOM 84 O LEU A 5 -1.755 5.470 7.697 1.00 0.00 O ATOM 85 CB LEU A 5 -1.950 4.502 4.523 1.00 0.00 C ATOM 86 CG LEU A 5 -1.578 5.319 3.286 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.367 4.713 2.590 1.00 0.00 C ATOM 88 CD2 LEU A 5 -2.764 5.398 2.335 1.00 0.00 C ATOM 0 H LEU A 5 -1.555 3.141 7.106 1.00 0.00 H new ATOM 0 HA LEU A 5 0.079 4.688 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.115 3.468 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.897 4.875 4.913 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.317 6.330 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.117 5.308 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.480 4.704 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.596 3.692 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.488 5.982 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.051 4.393 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.604 5.876 2.840 1.00 0.00 H new ATOM 100 N PHE A 6 -0.852 6.877 6.186 1.00 0.00 N ATOM 101 CA PHE A 6 -1.087 8.075 6.981 1.00 0.00 C ATOM 102 C PHE A 6 -2.364 8.779 6.517 1.00 0.00 C ATOM 103 O PHE A 6 -2.959 8.398 5.504 1.00 0.00 O ATOM 104 CB PHE A 6 0.109 9.026 6.875 1.00 0.00 C ATOM 105 CG PHE A 6 0.548 9.587 8.196 1.00 0.00 C ATOM 106 CD1 PHE A 6 1.333 8.834 9.056 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.175 10.864 8.582 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.734 9.343 10.275 1.00 0.00 C ATOM 109 CE2 PHE A 6 0.573 11.379 9.801 1.00 0.00 C ATOM 110 CZ PHE A 6 1.353 10.618 10.647 1.00 0.00 C ATOM 0 H PHE A 6 -0.396 7.052 5.291 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.209 7.781 8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.945 8.496 6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.149 9.848 6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.634 7.837 8.769 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.434 11.464 7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.344 8.746 10.936 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.274 12.375 10.091 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.666 11.019 11.600 1.00 0.00 H new ATOM 120 N ALA A 7 -2.778 9.812 7.254 1.00 0.00 N ATOM 121 CA ALA A 7 -3.981 10.575 6.908 1.00 0.00 C ATOM 122 C ALA A 7 -3.846 11.260 5.543 1.00 0.00 C ATOM 123 O ALA A 7 -4.850 11.635 4.936 1.00 0.00 O ATOM 124 CB ALA A 7 -4.283 11.607 7.985 1.00 0.00 C ATOM 0 H ALA A 7 -2.299 10.140 8.093 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.810 9.870 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.179 12.165 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.445 11.102 8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.442 12.294 8.077 1.00 0.00 H new ATOM 130 N ASP A 8 -2.604 11.414 5.066 1.00 0.00 N ATOM 131 CA ASP A 8 -2.338 12.048 3.770 1.00 0.00 C ATOM 132 C ASP A 8 -3.244 11.473 2.682 1.00 0.00 C ATOM 133 O ASP A 8 -3.775 12.208 1.851 1.00 0.00 O ATOM 134 CB ASP A 8 -0.866 11.859 3.370 1.00 0.00 C ATOM 135 CG ASP A 8 0.108 12.485 4.356 1.00 0.00 C ATOM 136 OD1 ASP A 8 0.062 12.129 5.554 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.926 13.324 3.927 1.00 0.00 O ATOM 0 H ASP A 8 -1.766 11.107 5.560 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.548 13.113 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.653 10.793 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.705 12.295 2.384 1.00 0.00 H new ATOM 142 N LEU A 9 -3.409 10.151 2.702 1.00 0.00 N ATOM 143 CA LEU A 9 -4.249 9.464 1.725 1.00 0.00 C ATOM 144 C LEU A 9 -5.542 8.945 2.358 1.00 0.00 C ATOM 145 O LEU A 9 -6.587 8.915 1.706 1.00 0.00 O ATOM 146 CB LEU A 9 -3.478 8.309 1.095 1.00 0.00 C ATOM 147 CG LEU A 9 -2.834 8.630 -0.253 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.664 9.590 -0.076 1.00 0.00 C ATOM 149 CD2 LEU A 9 -2.380 7.356 -0.942 1.00 0.00 C ATOM 0 H LEU A 9 -2.971 9.534 3.386 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.521 10.185 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.699 7.990 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.156 7.465 0.967 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.580 9.115 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.220 9.805 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.019 10.517 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.915 9.135 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.924 7.603 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.651 6.843 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.239 6.705 -1.106 1.00 0.00 H new ATOM 161 N ALA A 10 -5.472 8.545 3.632 1.00 0.00 N ATOM 162 CA ALA A 10 -6.648 8.033 4.341 1.00 0.00 C ATOM 163 C ALA A 10 -7.720 9.114 4.537 1.00 0.00 C ATOM 164 O ALA A 10 -8.843 8.806 4.937 1.00 0.00 O ATOM 165 CB ALA A 10 -6.241 7.446 5.685 1.00 0.00 C ATOM 0 H ALA A 10 -4.618 8.566 4.190 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.084 7.249 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.125 7.070 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.537 6.629 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.769 8.219 6.292 1.00 0.00 H new ATOM 171 N GLU A 11 -7.372 10.375 4.259 1.00 0.00 N ATOM 172 CA GLU A 11 -8.312 11.485 4.407 1.00 0.00 C ATOM 173 C GLU A 11 -9.584 11.261 3.584 1.00 0.00 C ATOM 174 O GLU A 11 -10.686 11.567 4.043 1.00 0.00 O ATOM 175 CB GLU A 11 -7.647 12.800 3.985 1.00 0.00 C ATOM 176 CG GLU A 11 -7.937 13.959 4.925 1.00 0.00 C ATOM 177 CD GLU A 11 -7.312 13.765 6.294 1.00 0.00 C ATOM 178 OE1 GLU A 11 -6.140 14.157 6.473 1.00 0.00 O ATOM 179 OE2 GLU A 11 -7.993 13.219 7.188 1.00 0.00 O ATOM 0 H GLU A 11 -6.446 10.650 3.931 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.595 11.540 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.569 12.650 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.985 13.063 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.561 14.883 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.015 14.073 5.034 1.00 0.00 H new ATOM 186 N VAL A 12 -9.427 10.735 2.369 1.00 0.00 N ATOM 187 CA VAL A 12 -10.566 10.485 1.487 1.00 0.00 C ATOM 188 C VAL A 12 -11.025 9.028 1.552 1.00 0.00 C ATOM 189 O VAL A 12 -12.205 8.756 1.778 1.00 0.00 O ATOM 190 CB VAL A 12 -10.238 10.840 0.021 1.00 0.00 C ATOM 191 CG1 VAL A 12 -11.506 10.851 -0.822 1.00 0.00 C ATOM 192 CG2 VAL A 12 -9.521 12.180 -0.063 1.00 0.00 C ATOM 0 H VAL A 12 -8.523 10.474 1.974 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.372 11.128 1.841 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.570 10.075 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.256 11.103 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.971 9.866 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.200 11.592 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.300 12.410 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.158 12.960 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.591 12.131 0.503 1.00 0.00 H new ATOM 202 N ALA A 13 -10.093 8.096 1.346 1.00 0.00 N ATOM 203 CA ALA A 13 -10.416 6.671 1.372 1.00 0.00 C ATOM 204 C ALA A 13 -10.943 6.241 2.740 1.00 0.00 C ATOM 205 O ALA A 13 -11.887 5.454 2.827 1.00 0.00 O ATOM 206 CB ALA A 13 -9.197 5.842 0.990 1.00 0.00 C ATOM 0 H ALA A 13 -9.112 8.303 1.160 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.205 6.497 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.455 4.783 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.873 6.113 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.390 6.035 1.696 1.00 0.00 H new ATOM 212 N GLY A 14 -10.322 6.751 3.804 1.00 0.00 N ATOM 213 CA GLY A 14 -10.733 6.397 5.151 1.00 0.00 C ATOM 214 C GLY A 14 -9.968 5.203 5.695 1.00 0.00 C ATOM 215 O GLY A 14 -9.985 4.949 6.902 1.00 0.00 O ATOM 0 H GLY A 14 -9.540 7.404 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.583 7.252 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.800 6.174 5.156 1.00 0.00 H new ATOM 219 N SER A 15 -9.291 4.471 4.806 1.00 0.00 N ATOM 220 CA SER A 15 -8.516 3.303 5.202 1.00 0.00 C ATOM 221 C SER A 15 -7.035 3.518 4.907 1.00 0.00 C ATOM 222 O SER A 15 -6.661 3.885 3.792 1.00 0.00 O ATOM 223 CB SER A 15 -9.022 2.054 4.476 1.00 0.00 C ATOM 224 OG SER A 15 -8.910 2.199 3.068 1.00 0.00 O ATOM 0 H SER A 15 -9.267 4.671 3.806 1.00 0.00 H new ATOM 0 HA SER A 15 -8.640 3.158 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.451 1.184 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.063 1.871 4.744 1.00 0.00 H new ATOM 0 HG SER A 15 -8.195 2.837 2.861 1.00 0.00 H new ATOM 230 N ARG A 16 -6.198 3.287 5.915 1.00 0.00 N ATOM 231 CA ARG A 16 -4.760 3.451 5.775 1.00 0.00 C ATOM 232 C ARG A 16 -4.055 2.096 5.794 1.00 0.00 C ATOM 233 O ARG A 16 -3.362 1.736 4.841 1.00 0.00 O ATOM 234 CB ARG A 16 -4.208 4.353 6.888 1.00 0.00 C ATOM 235 CG ARG A 16 -4.989 4.305 8.195 1.00 0.00 C ATOM 236 CD ARG A 16 -6.070 5.375 8.244 1.00 0.00 C ATOM 237 NE ARG A 16 -6.914 5.246 9.430 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.648 6.240 9.939 1.00 0.00 C ATOM 239 NH1 ARG A 16 -7.653 7.442 9.365 1.00 0.00 N ATOM 240 NH2 ARG A 16 -8.385 6.030 11.025 1.00 0.00 N ATOM 0 H ARG A 16 -6.497 2.984 6.842 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.566 3.927 4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.175 4.069 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.192 5.382 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.445 3.322 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.305 4.440 9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.605 6.361 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.689 5.307 7.349 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.945 4.341 9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.093 7.610 8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.217 8.194 9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.390 5.111 11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.946 6.787 11.415 1.00 0.00 H new ATOM 254 N THR A 17 -4.239 1.346 6.880 1.00 0.00 N ATOM 255 CA THR A 17 -3.619 0.033 7.017 1.00 0.00 C ATOM 256 C THR A 17 -4.556 -1.067 6.524 1.00 0.00 C ATOM 257 O THR A 17 -5.744 -1.081 6.856 1.00 0.00 O ATOM 258 CB THR A 17 -3.214 -0.224 8.475 1.00 0.00 C ATOM 259 OG1 THR A 17 -4.329 -0.628 9.252 1.00 0.00 O ATOM 260 CG2 THR A 17 -2.605 0.987 9.154 1.00 0.00 C ATOM 0 H THR A 17 -4.812 1.627 7.676 1.00 0.00 H new ATOM 0 HA THR A 17 -2.721 0.019 6.399 1.00 0.00 H new ATOM 0 HB THR A 17 -2.463 -1.013 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.044 -0.787 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.342 0.734 10.181 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.709 1.294 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.326 1.805 9.154 1.00 0.00 H new ATOM 268 N VAL A 18 -4.015 -1.981 5.723 1.00 0.00 N ATOM 269 CA VAL A 18 -4.800 -3.086 5.174 1.00 0.00 C ATOM 270 C VAL A 18 -3.989 -4.384 5.171 1.00 0.00 C ATOM 271 O VAL A 18 -2.762 -4.362 5.299 1.00 0.00 O ATOM 272 CB VAL A 18 -5.276 -2.770 3.736 1.00 0.00 C ATOM 273 CG1 VAL A 18 -6.339 -3.761 3.281 1.00 0.00 C ATOM 274 CG2 VAL A 18 -5.804 -1.344 3.641 1.00 0.00 C ATOM 0 H VAL A 18 -3.035 -1.979 5.439 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.673 -3.215 5.814 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.416 -2.864 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.655 -3.515 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.927 -4.770 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.197 -3.708 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.133 -1.145 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.645 -1.221 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.013 -0.644 3.910 1.00 0.00 H new ATOM 284 N ARG A 19 -4.679 -5.513 5.024 1.00 0.00 N ATOM 285 CA ARG A 19 -4.024 -6.817 4.999 1.00 0.00 C ATOM 286 C ARG A 19 -4.501 -7.635 3.799 1.00 0.00 C ATOM 287 O ARG A 19 -5.636 -7.479 3.344 1.00 0.00 O ATOM 288 CB ARG A 19 -4.292 -7.580 6.301 1.00 0.00 C ATOM 289 CG ARG A 19 -5.761 -7.643 6.696 1.00 0.00 C ATOM 290 CD ARG A 19 -5.929 -7.769 8.201 1.00 0.00 C ATOM 291 NE ARG A 19 -7.333 -7.727 8.601 1.00 0.00 N ATOM 292 CZ ARG A 19 -8.175 -8.760 8.487 1.00 0.00 C ATOM 293 NH1 ARG A 19 -7.755 -9.923 7.986 1.00 0.00 N ATOM 294 NH2 ARG A 19 -9.439 -8.630 8.875 1.00 0.00 N ATOM 0 H ARG A 19 -5.693 -5.550 4.920 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.950 -6.657 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.911 -8.596 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.730 -7.109 7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.272 -6.746 6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.235 -8.492 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.484 -8.705 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.387 -6.962 8.695 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.694 -6.856 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.786 -10.029 7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.403 -10.706 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.766 -7.743 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.082 -9.417 8.789 1.00 0.00 H new ATOM 308 N VAL A 20 -3.627 -8.501 3.287 1.00 0.00 N ATOM 309 CA VAL A 20 -3.960 -9.335 2.136 1.00 0.00 C ATOM 310 C VAL A 20 -4.295 -10.760 2.573 1.00 0.00 C ATOM 311 O VAL A 20 -3.471 -11.447 3.179 1.00 0.00 O ATOM 312 CB VAL A 20 -2.804 -9.376 1.110 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.229 -10.109 -0.156 1.00 0.00 C ATOM 314 CG2 VAL A 20 -2.323 -7.967 0.779 1.00 0.00 C ATOM 0 H VAL A 20 -2.685 -8.642 3.651 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.833 -8.887 1.662 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.975 -9.923 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.400 -10.125 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.513 -11.131 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.079 -9.596 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.510 -8.021 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.147 -7.391 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.969 -7.481 1.688 1.00 0.00 H new ATOM 324 N ASP A 21 -5.517 -11.188 2.259 1.00 0.00 N ATOM 325 CA ASP A 21 -5.989 -12.525 2.609 1.00 0.00 C ATOM 326 C ASP A 21 -6.712 -13.172 1.430 1.00 0.00 C ATOM 327 O ASP A 21 -6.412 -14.304 1.047 1.00 0.00 O ATOM 328 CB ASP A 21 -6.923 -12.446 3.817 1.00 0.00 C ATOM 329 CG ASP A 21 -6.240 -12.859 5.105 1.00 0.00 C ATOM 330 OD1 ASP A 21 -6.098 -14.079 5.339 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.850 -11.962 5.883 1.00 0.00 O ATOM 0 H ASP A 21 -6.202 -10.622 1.759 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.126 -13.141 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.296 -11.427 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.788 -13.087 3.646 1.00 0.00 H new ATOM 336 N VAL A 22 -7.664 -12.434 0.864 1.00 0.00 N ATOM 337 CA VAL A 22 -8.445 -12.910 -0.274 1.00 0.00 C ATOM 338 C VAL A 22 -7.737 -12.604 -1.596 1.00 0.00 C ATOM 339 O VAL A 22 -6.938 -11.668 -1.682 1.00 0.00 O ATOM 340 CB VAL A 22 -9.854 -12.271 -0.285 1.00 0.00 C ATOM 341 CG1 VAL A 22 -9.761 -10.759 -0.466 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.725 -12.892 -1.369 1.00 0.00 C ATOM 0 H VAL A 22 -7.914 -11.496 1.178 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.545 -13.990 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.322 -12.470 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.763 -10.331 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.187 -10.329 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.266 -10.535 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.710 -12.426 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.262 -12.734 -2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.827 -13.961 -1.185 1.00 0.00 H new ATOM 352 N ASP A 23 -8.037 -13.401 -2.622 1.00 0.00 N ATOM 353 CA ASP A 23 -7.437 -13.220 -3.941 1.00 0.00 C ATOM 354 C ASP A 23 -8.492 -12.838 -4.976 1.00 0.00 C ATOM 355 O ASP A 23 -9.554 -13.460 -5.052 1.00 0.00 O ATOM 356 CB ASP A 23 -6.717 -14.498 -4.382 1.00 0.00 C ATOM 357 CG ASP A 23 -5.251 -14.502 -3.992 1.00 0.00 C ATOM 358 OD1 ASP A 23 -4.475 -13.721 -4.585 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.878 -15.284 -3.092 1.00 0.00 O ATOM 0 H ASP A 23 -8.694 -14.179 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.713 -12.409 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.211 -15.362 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.802 -14.605 -5.463 1.00 0.00 H new ATOM 364 N GLY A 24 -8.187 -11.815 -5.775 1.00 0.00 N ATOM 365 CA GLY A 24 -9.112 -11.365 -6.803 1.00 0.00 C ATOM 366 C GLY A 24 -8.422 -10.585 -7.908 1.00 0.00 C ATOM 367 O GLY A 24 -7.231 -10.780 -8.160 1.00 0.00 O ATOM 0 H GLY A 24 -7.314 -11.290 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.618 -12.229 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.880 -10.740 -6.347 1.00 0.00 H new ATOM 371 N ASP A 25 -9.169 -9.700 -8.569 1.00 0.00 N ATOM 372 CA ASP A 25 -8.619 -8.887 -9.655 1.00 0.00 C ATOM 373 C ASP A 25 -7.566 -7.906 -9.136 1.00 0.00 C ATOM 374 O ASP A 25 -6.596 -7.604 -9.833 1.00 0.00 O ATOM 375 CB ASP A 25 -9.734 -8.125 -10.378 1.00 0.00 C ATOM 376 CG ASP A 25 -10.070 -8.739 -11.724 1.00 0.00 C ATOM 377 OD1 ASP A 25 -10.664 -9.839 -11.744 1.00 0.00 O ATOM 378 OD2 ASP A 25 -9.743 -8.120 -12.757 1.00 0.00 O ATOM 0 H ASP A 25 -10.155 -9.528 -8.372 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.137 -9.563 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.627 -8.113 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.430 -7.088 -10.520 1.00 0.00 H new ATOM 383 N ALA A 26 -7.762 -7.416 -7.910 1.00 0.00 N ATOM 384 CA ALA A 26 -6.828 -6.474 -7.299 1.00 0.00 C ATOM 385 C ALA A 26 -5.439 -7.093 -7.151 1.00 0.00 C ATOM 386 O ALA A 26 -5.259 -8.070 -6.420 1.00 0.00 O ATOM 387 CB ALA A 26 -7.351 -6.008 -5.948 1.00 0.00 C ATOM 0 H ALA A 26 -8.560 -7.657 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.742 -5.609 -7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.643 -5.307 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.315 -5.516 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.470 -6.867 -5.288 1.00 0.00 H new ATOM 393 N THR A 27 -4.462 -6.518 -7.850 1.00 0.00 N ATOM 394 CA THR A 27 -3.083 -7.009 -7.805 1.00 0.00 C ATOM 395 C THR A 27 -2.379 -6.535 -6.531 1.00 0.00 C ATOM 396 O THR A 27 -2.959 -5.804 -5.726 1.00 0.00 O ATOM 397 CB THR A 27 -2.306 -6.551 -9.047 1.00 0.00 C ATOM 398 OG1 THR A 27 -3.101 -5.720 -9.879 1.00 0.00 O ATOM 399 CG2 THR A 27 -1.812 -7.701 -9.895 1.00 0.00 C ATOM 0 H THR A 27 -4.599 -5.709 -8.456 1.00 0.00 H new ATOM 0 HA THR A 27 -3.111 -8.099 -7.796 1.00 0.00 H new ATOM 0 HB THR A 27 -1.449 -6.002 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.578 -5.443 -10.660 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.271 -7.311 -10.757 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.147 -8.330 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.662 -8.292 -10.237 1.00 0.00 H new ATOM 407 N VAL A 28 -1.123 -6.952 -6.354 1.00 0.00 N ATOM 408 CA VAL A 28 -0.348 -6.562 -5.179 1.00 0.00 C ATOM 409 C VAL A 28 0.174 -5.140 -5.329 1.00 0.00 C ATOM 410 O VAL A 28 0.196 -4.374 -4.365 1.00 0.00 O ATOM 411 CB VAL A 28 0.835 -7.520 -4.905 1.00 0.00 C ATOM 412 CG1 VAL A 28 0.345 -8.790 -4.222 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.588 -7.855 -6.186 1.00 0.00 C ATOM 0 H VAL A 28 -0.625 -7.557 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.025 -6.618 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 28 1.529 -7.011 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.190 -9.453 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.130 -8.534 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.377 -9.294 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.413 -8.530 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.910 -8.336 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.981 -6.939 -6.627 1.00 0.00 H new ATOM 423 N GLY A 29 0.576 -4.785 -6.549 1.00 0.00 N ATOM 424 CA GLY A 29 1.070 -3.450 -6.798 1.00 0.00 C ATOM 425 C GLY A 29 -0.044 -2.482 -7.149 1.00 0.00 C ATOM 426 O GLY A 29 0.074 -1.284 -6.894 1.00 0.00 O ATOM 0 H GLY A 29 0.566 -5.400 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.597 -3.089 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.794 -3.479 -7.612 1.00 0.00 H new ATOM 430 N ASP A 30 -1.135 -3.005 -7.727 1.00 0.00 N ATOM 431 CA ASP A 30 -2.285 -2.176 -8.102 1.00 0.00 C ATOM 432 C ASP A 30 -2.788 -1.370 -6.901 1.00 0.00 C ATOM 433 O ASP A 30 -3.117 -0.190 -7.030 1.00 0.00 O ATOM 434 CB ASP A 30 -3.411 -3.053 -8.662 1.00 0.00 C ATOM 435 CG ASP A 30 -4.679 -2.274 -8.960 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.696 -1.527 -9.960 1.00 0.00 O ATOM 437 OD2 ASP A 30 -5.655 -2.413 -8.193 1.00 0.00 O ATOM 0 H ASP A 30 -1.243 -3.996 -7.944 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.966 -1.476 -8.875 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.066 -3.538 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.637 -3.844 -7.947 1.00 0.00 H new ATOM 442 N ALA A 31 -2.825 -2.012 -5.732 1.00 0.00 N ATOM 443 CA ALA A 31 -3.263 -1.352 -4.505 1.00 0.00 C ATOM 444 C ALA A 31 -2.096 -0.645 -3.822 1.00 0.00 C ATOM 445 O ALA A 31 -2.294 0.335 -3.106 1.00 0.00 O ATOM 446 CB ALA A 31 -3.909 -2.353 -3.555 1.00 0.00 C ATOM 0 H ALA A 31 -2.556 -2.989 -5.611 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.007 -0.602 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.228 -1.840 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.774 -2.807 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.188 -3.129 -3.299 1.00 0.00 H new ATOM 452 N LEU A 32 -0.877 -1.138 -4.057 1.00 0.00 N ATOM 453 CA LEU A 32 0.314 -0.536 -3.474 1.00 0.00 C ATOM 454 C LEU A 32 0.481 0.896 -3.968 1.00 0.00 C ATOM 455 O LEU A 32 0.531 1.826 -3.170 1.00 0.00 O ATOM 456 CB LEU A 32 1.561 -1.353 -3.821 1.00 0.00 C ATOM 457 CG LEU A 32 2.856 -0.862 -3.170 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.951 -1.358 -1.736 1.00 0.00 C ATOM 459 CD2 LEU A 32 4.065 -1.314 -3.978 1.00 0.00 C ATOM 0 H LEU A 32 -0.694 -1.950 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 32 0.193 -0.527 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.393 -2.388 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.691 -1.348 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 32 2.844 0.228 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.878 -1.000 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.102 -0.982 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.941 -2.448 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.977 -0.956 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.084 -2.403 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.001 -0.908 -4.987 1.00 0.00 H new ATOM 471 N ASP A 33 0.560 1.065 -5.292 1.00 0.00 N ATOM 472 CA ASP A 33 0.716 2.388 -5.891 1.00 0.00 C ATOM 473 C ASP A 33 -0.420 3.321 -5.463 1.00 0.00 C ATOM 474 O ASP A 33 -0.185 4.497 -5.175 1.00 0.00 O ATOM 475 CB ASP A 33 0.791 2.275 -7.420 1.00 0.00 C ATOM 476 CG ASP A 33 -0.565 2.101 -8.082 1.00 0.00 C ATOM 477 OD1 ASP A 33 -1.256 3.114 -8.305 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.932 0.948 -8.380 1.00 0.00 O ATOM 0 H ASP A 33 0.518 0.301 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 33 1.650 2.820 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.269 3.169 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.426 1.429 -7.683 1.00 0.00 H new ATOM 483 N ALA A 34 -1.646 2.790 -5.409 1.00 0.00 N ATOM 484 CA ALA A 34 -2.800 3.582 -4.998 1.00 0.00 C ATOM 485 C ALA A 34 -2.659 4.008 -3.544 1.00 0.00 C ATOM 486 O ALA A 34 -2.772 5.191 -3.223 1.00 0.00 O ATOM 487 CB ALA A 34 -4.094 2.802 -5.196 1.00 0.00 C ATOM 0 H ALA A 34 -1.860 1.821 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.840 4.474 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.939 3.414 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.205 2.542 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.065 1.891 -4.599 1.00 0.00 H new ATOM 493 N LEU A 35 -2.397 3.033 -2.670 1.00 0.00 N ATOM 494 CA LEU A 35 -2.222 3.299 -1.246 1.00 0.00 C ATOM 495 C LEU A 35 -1.019 4.208 -1.005 1.00 0.00 C ATOM 496 O LEU A 35 -1.045 5.052 -0.114 1.00 0.00 O ATOM 497 CB LEU A 35 -2.049 1.988 -0.472 1.00 0.00 C ATOM 498 CG LEU A 35 -3.331 1.413 0.142 1.00 0.00 C ATOM 499 CD1 LEU A 35 -4.431 1.293 -0.907 1.00 0.00 C ATOM 500 CD2 LEU A 35 -3.053 0.059 0.781 1.00 0.00 C ATOM 0 H LEU A 35 -2.302 2.051 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.117 3.807 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.622 1.243 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.325 2.150 0.326 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.675 2.099 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.330 0.883 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.651 2.278 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.100 0.632 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.973 -0.336 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.682 -0.631 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.305 0.174 1.565 1.00 0.00 H new ATOM 512 N VAL A 36 0.034 4.035 -1.808 1.00 0.00 N ATOM 513 CA VAL A 36 1.238 4.854 -1.672 1.00 0.00 C ATOM 514 C VAL A 36 0.914 6.332 -1.894 1.00 0.00 C ATOM 515 O VAL A 36 1.255 7.180 -1.067 1.00 0.00 O ATOM 516 CB VAL A 36 2.351 4.423 -2.659 1.00 0.00 C ATOM 517 CG1 VAL A 36 3.495 5.428 -2.650 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.866 3.030 -2.320 1.00 0.00 C ATOM 0 H VAL A 36 0.076 3.340 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 36 1.605 4.705 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 36 1.922 4.395 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.267 5.107 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.121 6.408 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.918 5.489 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.647 2.749 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.274 3.029 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.046 2.314 -2.381 1.00 0.00 H new ATOM 528 N GLY A 37 0.260 6.630 -3.016 1.00 0.00 N ATOM 529 CA GLY A 37 -0.098 8.001 -3.330 1.00 0.00 C ATOM 530 C GLY A 37 -0.336 8.217 -4.810 1.00 0.00 C ATOM 531 O GLY A 37 0.248 9.118 -5.412 1.00 0.00 O ATOM 0 H GLY A 37 -0.028 5.943 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.997 8.273 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.697 8.666 -2.993 1.00 0.00 H new ATOM 535 N ALA A 38 -1.195 7.388 -5.394 1.00 0.00 N ATOM 536 CA ALA A 38 -1.513 7.491 -6.815 1.00 0.00 C ATOM 537 C ALA A 38 -2.480 8.644 -7.075 1.00 0.00 C ATOM 538 O ALA A 38 -2.137 9.593 -7.780 1.00 0.00 O ATOM 539 CB ALA A 38 -2.092 6.180 -7.328 1.00 0.00 C ATOM 0 H ALA A 38 -1.684 6.637 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.589 7.696 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.323 6.275 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.365 5.381 -7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.003 5.945 -6.778 1.00 0.00 H new ATOM 545 N HIS A 39 -3.681 8.557 -6.487 1.00 0.00 N ATOM 546 CA HIS A 39 -4.711 9.593 -6.636 1.00 0.00 C ATOM 547 C HIS A 39 -6.031 9.142 -6.026 1.00 0.00 C ATOM 548 O HIS A 39 -6.507 9.755 -5.077 1.00 0.00 O ATOM 549 CB HIS A 39 -4.936 9.949 -8.104 1.00 0.00 C ATOM 550 CG HIS A 39 -4.234 11.195 -8.554 1.00 0.00 C ATOM 551 ND1 HIS A 39 -4.072 12.309 -7.753 1.00 0.00 N ATOM 552 CD2 HIS A 39 -3.649 11.499 -9.737 1.00 0.00 C ATOM 553 CE1 HIS A 39 -3.420 13.241 -8.427 1.00 0.00 C ATOM 554 NE2 HIS A 39 -3.152 12.774 -9.632 1.00 0.00 N ATOM 0 H HIS A 39 -3.964 7.773 -5.899 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.351 10.476 -6.108 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.603 9.116 -8.722 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.006 10.067 -8.277 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.585 10.857 -10.603 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.152 14.219 -8.055 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.656 13.279 -10.366 1.00 0.00 H new ATOM 563 N PRO A 40 -6.646 8.060 -6.559 1.00 0.00 N ATOM 564 CA PRO A 40 -7.918 7.540 -6.045 1.00 0.00 C ATOM 565 C PRO A 40 -7.896 7.347 -4.535 1.00 0.00 C ATOM 566 O PRO A 40 -8.935 7.446 -3.879 1.00 0.00 O ATOM 567 CB PRO A 40 -8.091 6.195 -6.755 1.00 0.00 C ATOM 568 CG PRO A 40 -6.791 5.919 -7.435 1.00 0.00 C ATOM 569 CD PRO A 40 -6.158 7.257 -7.688 1.00 0.00 C ATOM 0 HA PRO A 40 -8.737 8.234 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.334 5.406 -6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.907 6.236 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.150 5.297 -6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.947 5.379 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.070 7.195 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.465 7.676 -8.646 1.00 0.00 H new ATOM 577 N ALA A 41 -6.706 7.101 -3.981 1.00 0.00 N ATOM 578 CA ALA A 41 -6.560 6.932 -2.543 1.00 0.00 C ATOM 579 C ALA A 41 -7.004 8.198 -1.824 1.00 0.00 C ATOM 580 O ALA A 41 -7.524 8.138 -0.710 1.00 0.00 O ATOM 581 CB ALA A 41 -5.121 6.594 -2.186 1.00 0.00 C ATOM 0 H ALA A 41 -5.837 7.016 -4.508 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.192 6.104 -2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.033 6.472 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.831 5.667 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.466 7.401 -2.514 1.00 0.00 H new ATOM 587 N LEU A 42 -6.805 9.347 -2.478 1.00 0.00 N ATOM 588 CA LEU A 42 -7.196 10.630 -1.907 1.00 0.00 C ATOM 589 C LEU A 42 -7.875 11.517 -2.957 1.00 0.00 C ATOM 590 O LEU A 42 -7.789 12.745 -2.887 1.00 0.00 O ATOM 591 CB LEU A 42 -5.970 11.339 -1.321 1.00 0.00 C ATOM 592 CG LEU A 42 -4.935 11.825 -2.344 1.00 0.00 C ATOM 593 CD1 LEU A 42 -4.177 13.026 -1.798 1.00 0.00 C ATOM 594 CD2 LEU A 42 -3.969 10.704 -2.710 1.00 0.00 C ATOM 0 H LEU A 42 -6.376 9.410 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.915 10.445 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.311 12.196 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.477 10.659 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.462 12.128 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.446 13.360 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.878 13.834 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.663 12.745 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.244 11.071 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.447 10.367 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.525 9.871 -3.141 1.00 0.00 H new ATOM 606 N GLU A 43 -8.549 10.887 -3.931 1.00 0.00 N ATOM 607 CA GLU A 43 -9.235 11.615 -4.997 1.00 0.00 C ATOM 608 C GLU A 43 -8.236 12.309 -5.927 1.00 0.00 C ATOM 609 O GLU A 43 -7.103 12.605 -5.537 1.00 0.00 O ATOM 610 CB GLU A 43 -10.207 12.639 -4.404 1.00 0.00 C ATOM 611 CG GLU A 43 -11.651 12.426 -4.831 1.00 0.00 C ATOM 612 CD GLU A 43 -12.624 12.509 -3.668 1.00 0.00 C ATOM 613 OE1 GLU A 43 -12.649 13.554 -2.985 1.00 0.00 O ATOM 614 OE2 GLU A 43 -13.358 11.526 -3.437 1.00 0.00 O ATOM 0 H GLU A 43 -8.631 9.872 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.799 10.892 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.148 12.596 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.893 13.640 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.919 13.174 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.744 11.451 -5.309 1.00 0.00 H new ATOM 621 N SER A 44 -8.665 12.564 -7.161 1.00 0.00 N ATOM 622 CA SER A 44 -7.815 13.222 -8.150 1.00 0.00 C ATOM 623 C SER A 44 -7.753 14.731 -7.910 1.00 0.00 C ATOM 624 O SER A 44 -6.713 15.355 -8.128 1.00 0.00 O ATOM 625 CB SER A 44 -8.327 12.937 -9.564 1.00 0.00 C ATOM 626 OG SER A 44 -9.699 13.265 -9.686 1.00 0.00 O ATOM 0 H SER A 44 -9.597 12.325 -7.500 1.00 0.00 H new ATOM 0 HA SER A 44 -6.807 12.819 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.747 13.511 -10.287 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.179 11.884 -9.802 1.00 0.00 H new ATOM 0 HG SER A 44 -10.001 13.075 -10.599 1.00 0.00 H new ATOM 632 N ARG A 45 -8.872 15.310 -7.465 1.00 0.00 N ATOM 633 CA ARG A 45 -8.946 16.745 -7.196 1.00 0.00 C ATOM 634 C ARG A 45 -7.982 17.143 -6.080 1.00 0.00 C ATOM 635 O ARG A 45 -8.288 16.990 -4.896 1.00 0.00 O ATOM 636 CB ARG A 45 -10.378 17.147 -6.819 1.00 0.00 C ATOM 637 CG ARG A 45 -11.389 16.941 -7.939 1.00 0.00 C ATOM 638 CD ARG A 45 -11.078 17.816 -9.144 1.00 0.00 C ATOM 639 NE ARG A 45 -12.290 18.335 -9.773 1.00 0.00 N ATOM 640 CZ ARG A 45 -12.988 19.377 -9.309 1.00 0.00 C ATOM 641 NH1 ARG A 45 -12.602 20.009 -8.201 1.00 0.00 N ATOM 642 NH2 ARG A 45 -14.075 19.787 -9.954 1.00 0.00 N ATOM 0 H ARG A 45 -9.739 14.804 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.657 17.272 -8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.691 16.569 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.385 18.196 -6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.390 15.893 -8.240 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.390 17.168 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.446 18.648 -8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.510 17.239 -9.874 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.625 17.874 -10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.769 19.699 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.140 20.803 -7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.376 19.307 -10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.608 20.582 -9.601 1.00 0.00 H new ATOM 656 N VAL A 46 -6.813 17.653 -6.471 1.00 0.00 N ATOM 657 CA VAL A 46 -5.792 18.075 -5.519 1.00 0.00 C ATOM 658 C VAL A 46 -6.322 19.143 -4.561 1.00 0.00 C ATOM 659 O VAL A 46 -6.022 19.114 -3.367 1.00 0.00 O ATOM 660 CB VAL A 46 -4.540 18.615 -6.244 1.00 0.00 C ATOM 661 CG1 VAL A 46 -3.814 17.490 -6.968 1.00 0.00 C ATOM 662 CG2 VAL A 46 -4.907 19.737 -7.212 1.00 0.00 C ATOM 0 H VAL A 46 -6.552 17.783 -7.448 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.517 17.192 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.867 19.030 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.935 17.890 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.505 16.733 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.481 17.040 -7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.006 20.098 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.606 19.360 -7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.371 20.555 -6.661 1.00 0.00 H new ATOM 672 N PHE A 47 -7.114 20.078 -5.098 1.00 0.00 N ATOM 673 CA PHE A 47 -7.696 21.163 -4.308 1.00 0.00 C ATOM 674 C PHE A 47 -6.608 22.045 -3.700 1.00 0.00 C ATOM 675 O PHE A 47 -6.169 21.824 -2.568 1.00 0.00 O ATOM 676 CB PHE A 47 -8.611 20.605 -3.208 1.00 0.00 C ATOM 677 CG PHE A 47 -10.062 20.935 -3.415 1.00 0.00 C ATOM 678 CD1 PHE A 47 -10.847 20.168 -4.263 1.00 0.00 C ATOM 679 CD2 PHE A 47 -10.642 22.012 -2.763 1.00 0.00 C ATOM 680 CE1 PHE A 47 -12.180 20.469 -4.459 1.00 0.00 C ATOM 681 CE2 PHE A 47 -11.975 22.321 -2.958 1.00 0.00 C ATOM 682 CZ PHE A 47 -12.746 21.548 -3.806 1.00 0.00 C ATOM 0 H PHE A 47 -7.367 20.102 -6.086 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.296 21.778 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.495 19.522 -3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.290 21.000 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.410 19.324 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.046 22.616 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.780 19.862 -5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -12.414 23.166 -2.448 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.788 21.787 -3.958 1.00 0.00 H new ATOM 692 N GLY A 48 -6.173 23.043 -4.467 1.00 0.00 N ATOM 693 CA GLY A 48 -5.135 23.948 -4.003 1.00 0.00 C ATOM 694 C GLY A 48 -3.768 23.608 -4.567 1.00 0.00 C ATOM 695 O GLY A 48 -2.962 24.503 -4.822 1.00 0.00 O ATOM 0 H GLY A 48 -6.523 23.241 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.396 24.968 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.092 23.918 -2.914 1.00 0.00 H new ATOM 699 N ASP A 49 -3.513 22.307 -4.757 1.00 0.00 N ATOM 700 CA ASP A 49 -2.240 21.823 -5.291 1.00 0.00 C ATOM 701 C ASP A 49 -1.105 22.009 -4.282 1.00 0.00 C ATOM 702 O ASP A 49 -1.030 23.028 -3.593 1.00 0.00 O ATOM 703 CB ASP A 49 -1.893 22.528 -6.605 1.00 0.00 C ATOM 704 CG ASP A 49 -2.383 21.760 -7.818 1.00 0.00 C ATOM 705 OD1 ASP A 49 -1.886 20.636 -8.048 1.00 0.00 O ATOM 706 OD2 ASP A 49 -3.262 22.280 -8.535 1.00 0.00 O ATOM 0 H ASP A 49 -4.182 21.566 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.355 20.757 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.333 23.525 -6.607 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.813 22.657 -6.671 1.00 0.00 H new ATOM 711 N ASP A 50 -0.227 21.012 -4.203 1.00 0.00 N ATOM 712 CA ASP A 50 0.908 21.051 -3.282 1.00 0.00 C ATOM 713 C ASP A 50 2.239 21.185 -4.026 1.00 0.00 C ATOM 714 O ASP A 50 3.198 21.747 -3.491 1.00 0.00 O ATOM 715 CB ASP A 50 0.918 19.791 -2.415 1.00 0.00 C ATOM 716 CG ASP A 50 1.907 19.880 -1.270 1.00 0.00 C ATOM 717 OD1 ASP A 50 1.662 20.671 -0.333 1.00 0.00 O ATOM 718 OD2 ASP A 50 2.926 19.160 -1.307 1.00 0.00 O ATOM 0 H ASP A 50 -0.280 20.164 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 50 0.793 21.931 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.082 19.622 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.163 18.929 -3.036 1.00 0.00 H new ATOM 723 N GLY A 51 2.297 20.671 -5.257 1.00 0.00 N ATOM 724 CA GLY A 51 3.516 20.753 -6.040 1.00 0.00 C ATOM 725 C GLY A 51 3.736 19.538 -6.920 1.00 0.00 C ATOM 726 O GLY A 51 3.213 18.459 -6.636 1.00 0.00 O ATOM 0 H GLY A 51 1.520 20.201 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.481 21.646 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.366 20.867 -5.368 1.00 0.00 H new ATOM 730 N GLU A 52 4.517 19.714 -7.985 1.00 0.00 N ATOM 731 CA GLU A 52 4.811 18.619 -8.907 1.00 0.00 C ATOM 732 C GLU A 52 6.254 18.681 -9.402 1.00 0.00 C ATOM 733 O GLU A 52 6.572 19.427 -10.331 1.00 0.00 O ATOM 734 CB GLU A 52 3.847 18.644 -10.096 1.00 0.00 C ATOM 735 CG GLU A 52 2.625 17.763 -9.901 1.00 0.00 C ATOM 736 CD GLU A 52 1.352 18.562 -9.705 1.00 0.00 C ATOM 737 OE1 GLU A 52 0.882 19.175 -10.685 1.00 0.00 O ATOM 738 OE2 GLU A 52 0.825 18.575 -8.576 1.00 0.00 O ATOM 0 H GLU A 52 4.956 20.602 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 52 4.679 17.684 -8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.522 19.670 -10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.378 18.322 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.510 17.111 -10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.781 17.119 -9.036 1.00 0.00 H new ATOM 745 N LEU A 53 7.122 17.889 -8.776 1.00 0.00 N ATOM 746 CA LEU A 53 8.535 17.839 -9.154 1.00 0.00 C ATOM 747 C LEU A 53 9.285 16.751 -8.383 1.00 0.00 C ATOM 748 O LEU A 53 10.094 16.022 -8.962 1.00 0.00 O ATOM 749 CB LEU A 53 9.209 19.204 -8.936 1.00 0.00 C ATOM 750 CG LEU A 53 9.180 19.736 -7.500 1.00 0.00 C ATOM 751 CD1 LEU A 53 10.343 20.685 -7.261 1.00 0.00 C ATOM 752 CD2 LEU A 53 7.853 20.425 -7.211 1.00 0.00 C ATOM 0 H LEU A 53 6.872 17.272 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 53 8.578 17.592 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.248 19.131 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.726 19.935 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 53 9.281 18.892 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.307 21.054 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.283 20.157 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.274 21.526 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.851 20.796 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.719 21.259 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.038 19.713 -7.340 1.00 0.00 H new ATOM 764 N TYR A 54 9.018 16.641 -7.077 1.00 0.00 N ATOM 765 CA TYR A 54 9.675 15.639 -6.243 1.00 0.00 C ATOM 766 C TYR A 54 8.868 15.358 -4.976 1.00 0.00 C ATOM 767 O TYR A 54 8.296 16.273 -4.379 1.00 0.00 O ATOM 768 CB TYR A 54 11.086 16.102 -5.873 1.00 0.00 C ATOM 769 CG TYR A 54 12.146 15.036 -6.053 1.00 0.00 C ATOM 770 CD1 TYR A 54 12.444 14.146 -5.028 1.00 0.00 C ATOM 771 CD2 TYR A 54 12.847 14.921 -7.247 1.00 0.00 C ATOM 772 CE1 TYR A 54 13.416 13.175 -5.188 1.00 0.00 C ATOM 773 CE2 TYR A 54 13.818 13.952 -7.414 1.00 0.00 C ATOM 774 CZ TYR A 54 14.098 13.081 -6.382 1.00 0.00 C ATOM 775 OH TYR A 54 15.065 12.117 -6.544 1.00 0.00 O ATOM 0 H TYR A 54 8.353 17.233 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 54 9.739 14.714 -6.817 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.346 16.967 -6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.089 16.433 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.909 14.214 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.629 15.600 -8.058 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.640 12.493 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 54 14.355 13.877 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 54 15.448 12.186 -7.443 1.00 0.00 H new ATOM 785 N ASP A 55 8.830 14.086 -4.570 1.00 0.00 N ATOM 786 CA ASP A 55 8.093 13.677 -3.375 1.00 0.00 C ATOM 787 C ASP A 55 8.809 12.541 -2.647 1.00 0.00 C ATOM 788 O ASP A 55 9.371 11.642 -3.277 1.00 0.00 O ATOM 789 CB ASP A 55 6.675 13.238 -3.752 1.00 0.00 C ATOM 790 CG ASP A 55 5.657 14.351 -3.587 1.00 0.00 C ATOM 791 OD1 ASP A 55 5.471 15.134 -4.541 1.00 0.00 O ATOM 792 OD2 ASP A 55 5.043 14.437 -2.504 1.00 0.00 O ATOM 0 H ASP A 55 9.302 13.322 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 55 8.039 14.535 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.668 12.894 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.384 12.390 -3.132 1.00 0.00 H new ATOM 797 N HIS A 56 8.778 12.584 -1.315 1.00 0.00 N ATOM 798 CA HIS A 56 9.416 11.559 -0.497 1.00 0.00 C ATOM 799 C HIS A 56 8.367 10.712 0.219 1.00 0.00 C ATOM 800 O HIS A 56 7.403 11.241 0.775 1.00 0.00 O ATOM 801 CB HIS A 56 10.360 12.199 0.524 1.00 0.00 C ATOM 802 CG HIS A 56 11.347 11.238 1.120 1.00 0.00 C ATOM 803 ND1 HIS A 56 11.713 10.054 0.512 1.00 0.00 N ATOM 804 CD2 HIS A 56 12.045 11.293 2.280 1.00 0.00 C ATOM 805 CE1 HIS A 56 12.591 9.423 1.271 1.00 0.00 C ATOM 806 NE2 HIS A 56 12.809 10.154 2.348 1.00 0.00 N ATOM 0 H HIS A 56 8.316 13.320 -0.781 1.00 0.00 H new ATOM 0 HA HIS A 56 9.997 10.912 -1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.903 13.012 0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.768 12.641 1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 56 12.008 12.085 3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.052 8.472 1.048 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.443 9.912 3.109 1.00 0.00 H new ATOM 815 N ILE A 57 8.562 9.393 0.197 1.00 0.00 N ATOM 816 CA ILE A 57 7.636 8.464 0.837 1.00 0.00 C ATOM 817 C ILE A 57 8.387 7.287 1.450 1.00 0.00 C ATOM 818 O ILE A 57 9.003 6.493 0.735 1.00 0.00 O ATOM 819 CB ILE A 57 6.589 7.929 -0.166 1.00 0.00 C ATOM 820 CG1 ILE A 57 7.267 7.485 -1.468 1.00 0.00 C ATOM 821 CG2 ILE A 57 5.531 8.987 -0.448 1.00 0.00 C ATOM 822 CD1 ILE A 57 6.689 6.214 -2.045 1.00 0.00 C ATOM 0 H ILE A 57 9.356 8.945 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 57 7.121 9.016 1.623 1.00 0.00 H new ATOM 0 HB ILE A 57 6.099 7.062 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.178 8.283 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.331 7.340 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.802 8.593 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.027 9.254 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.006 9.873 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.216 5.959 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.802 5.403 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.631 6.361 -2.262 1.00 0.00 H new ATOM 834 N ASN A 58 8.337 7.180 2.775 1.00 0.00 N ATOM 835 CA ASN A 58 9.017 6.097 3.475 1.00 0.00 C ATOM 836 C ASN A 58 8.094 4.891 3.637 1.00 0.00 C ATOM 837 O ASN A 58 6.909 5.038 3.939 1.00 0.00 O ATOM 838 CB ASN A 58 9.512 6.572 4.842 1.00 0.00 C ATOM 839 CG ASN A 58 10.796 7.378 4.746 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.841 8.421 4.094 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.852 6.897 5.395 1.00 0.00 N ATOM 0 H ASN A 58 7.835 7.828 3.382 1.00 0.00 H new ATOM 0 HA ASN A 58 9.876 5.794 2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.740 7.179 5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.676 5.708 5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.741 7.396 5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.773 6.029 5.924 1.00 0.00 H new ATOM 848 N VAL A 59 8.646 3.699 3.426 1.00 0.00 N ATOM 849 CA VAL A 59 7.875 2.464 3.537 1.00 0.00 C ATOM 850 C VAL A 59 8.664 1.384 4.281 1.00 0.00 C ATOM 851 O VAL A 59 9.897 1.363 4.237 1.00 0.00 O ATOM 852 CB VAL A 59 7.472 1.942 2.138 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.702 1.570 1.320 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.521 0.761 2.252 1.00 0.00 C ATOM 0 H VAL A 59 9.626 3.562 3.177 1.00 0.00 H new ATOM 0 HA VAL A 59 6.974 2.691 4.106 1.00 0.00 H new ATOM 0 HB VAL A 59 6.951 2.746 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.391 1.206 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.336 2.448 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.260 0.789 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.253 0.412 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.007 -0.046 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.620 1.069 2.783 1.00 0.00 H new ATOM 864 N LEU A 60 7.946 0.484 4.954 1.00 0.00 N ATOM 865 CA LEU A 60 8.575 -0.601 5.698 1.00 0.00 C ATOM 866 C LEU A 60 8.279 -1.943 5.042 1.00 0.00 C ATOM 867 O LEU A 60 7.121 -2.347 4.934 1.00 0.00 O ATOM 868 CB LEU A 60 8.084 -0.610 7.150 1.00 0.00 C ATOM 869 CG LEU A 60 9.136 -0.994 8.196 1.00 0.00 C ATOM 870 CD1 LEU A 60 9.581 -2.440 8.016 1.00 0.00 C ATOM 871 CD2 LEU A 60 10.331 -0.051 8.126 1.00 0.00 C ATOM 0 H LEU A 60 6.927 0.488 4.997 1.00 0.00 H new ATOM 0 HA LEU A 60 9.653 -0.438 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.700 0.381 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.247 -1.304 7.229 1.00 0.00 H new ATOM 0 HG LEU A 60 8.682 -0.901 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.328 -2.688 8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.722 -3.101 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.013 -2.567 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.067 -0.340 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.782 -0.108 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.000 0.970 8.316 1.00 0.00 H new ATOM 883 N ARG A 61 9.335 -2.631 4.611 1.00 0.00 N ATOM 884 CA ARG A 61 9.196 -3.934 3.968 1.00 0.00 C ATOM 885 C ARG A 61 9.976 -5.004 4.730 1.00 0.00 C ATOM 886 O ARG A 61 11.044 -4.731 5.279 1.00 0.00 O ATOM 887 CB ARG A 61 9.685 -3.868 2.517 1.00 0.00 C ATOM 888 CG ARG A 61 8.613 -3.423 1.534 1.00 0.00 C ATOM 889 CD ARG A 61 8.885 -3.943 0.129 1.00 0.00 C ATOM 890 NE ARG A 61 8.607 -2.935 -0.891 1.00 0.00 N ATOM 891 CZ ARG A 61 9.431 -1.924 -1.189 1.00 0.00 C ATOM 892 NH1 ARG A 61 10.582 -1.776 -0.536 1.00 0.00 N ATOM 893 NH2 ARG A 61 9.098 -1.055 -2.138 1.00 0.00 N ATOM 0 H ARG A 61 10.298 -2.306 4.696 1.00 0.00 H new ATOM 0 HA ARG A 61 8.140 -4.203 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.529 -3.181 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.053 -4.851 2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.640 -3.779 1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.565 -2.334 1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.926 -4.257 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.272 -4.825 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 61 7.731 -3.006 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.841 -2.436 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.205 -1.003 -0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.215 -1.159 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.725 -0.284 -2.366 1.00 0.00 H new ATOM 907 N ASN A 62 9.436 -6.224 4.749 1.00 0.00 N ATOM 908 CA ASN A 62 10.085 -7.345 5.436 1.00 0.00 C ATOM 909 C ASN A 62 11.388 -7.761 4.739 1.00 0.00 C ATOM 910 O ASN A 62 12.184 -8.516 5.306 1.00 0.00 O ATOM 911 CB ASN A 62 9.135 -8.551 5.520 1.00 0.00 C ATOM 912 CG ASN A 62 8.506 -8.905 4.181 1.00 0.00 C ATOM 913 OD1 ASN A 62 9.098 -8.689 3.125 1.00 0.00 O ATOM 914 ND2 ASN A 62 7.296 -9.454 4.218 1.00 0.00 N ATOM 0 H ASN A 62 8.553 -6.462 4.298 1.00 0.00 H new ATOM 0 HA ASN A 62 10.331 -7.008 6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.684 -9.414 5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.346 -8.336 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.826 -9.712 3.350 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.837 -9.617 5.114 1.00 0.00 H new ATOM 921 N GLY A 63 11.600 -7.274 3.513 1.00 0.00 N ATOM 922 CA GLY A 63 12.799 -7.612 2.767 1.00 0.00 C ATOM 923 C GLY A 63 12.511 -8.488 1.556 1.00 0.00 C ATOM 924 O GLY A 63 13.397 -9.203 1.081 1.00 0.00 O ATOM 0 H GLY A 63 10.958 -6.650 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.288 -6.695 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.498 -8.128 3.425 1.00 0.00 H new ATOM 928 N GLU A 64 11.276 -8.432 1.054 1.00 0.00 N ATOM 929 CA GLU A 64 10.874 -9.221 -0.103 1.00 0.00 C ATOM 930 C GLU A 64 10.814 -8.353 -1.356 1.00 0.00 C ATOM 931 O GLU A 64 10.817 -7.120 -1.272 1.00 0.00 O ATOM 932 CB GLU A 64 9.509 -9.867 0.149 1.00 0.00 C ATOM 933 CG GLU A 64 9.373 -11.267 -0.430 1.00 0.00 C ATOM 934 CD GLU A 64 8.191 -12.025 0.144 1.00 0.00 C ATOM 935 OE1 GLU A 64 8.042 -12.049 1.386 1.00 0.00 O ATOM 936 OE2 GLU A 64 7.413 -12.592 -0.649 1.00 0.00 O ATOM 0 H GLU A 64 10.536 -7.843 1.436 1.00 0.00 H new ATOM 0 HA GLU A 64 11.618 -10.003 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.331 -9.910 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.733 -9.231 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.265 -11.199 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.288 -11.827 -0.235 1.00 0.00 H new ATOM 943 N ALA A 65 10.754 -9.003 -2.514 1.00 0.00 N ATOM 944 CA ALA A 65 10.688 -8.301 -3.789 1.00 0.00 C ATOM 945 C ALA A 65 9.334 -7.618 -3.965 1.00 0.00 C ATOM 946 O ALA A 65 8.289 -8.264 -3.872 1.00 0.00 O ATOM 947 CB ALA A 65 10.954 -9.263 -4.938 1.00 0.00 C ATOM 0 H ALA A 65 10.750 -10.020 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 65 11.459 -7.530 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.901 -8.724 -5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.946 -9.700 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.205 -10.055 -4.930 1.00 0.00 H new ATOM 953 N ALA A 66 9.364 -6.310 -4.220 1.00 0.00 N ATOM 954 CA ALA A 66 8.140 -5.534 -4.408 1.00 0.00 C ATOM 955 C ALA A 66 7.385 -5.998 -5.654 1.00 0.00 C ATOM 956 O ALA A 66 7.679 -5.562 -6.770 1.00 0.00 O ATOM 957 CB ALA A 66 8.459 -4.047 -4.500 1.00 0.00 C ATOM 0 H ALA A 66 10.223 -5.766 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 66 7.499 -5.698 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.536 -3.485 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.946 -3.722 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.124 -3.869 -5.345 1.00 0.00 H new ATOM 963 N ALA A 67 6.414 -6.887 -5.453 1.00 0.00 N ATOM 964 CA ALA A 67 5.615 -7.418 -6.554 1.00 0.00 C ATOM 965 C ALA A 67 4.434 -6.502 -6.868 1.00 0.00 C ATOM 966 O ALA A 67 3.901 -5.836 -5.979 1.00 0.00 O ATOM 967 CB ALA A 67 5.122 -8.817 -6.219 1.00 0.00 C ATOM 0 H ALA A 67 6.162 -7.255 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 67 6.249 -7.468 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.528 -9.202 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.976 -9.473 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.508 -8.781 -5.319 1.00 0.00 H new ATOM 973 N LEU A 68 4.029 -6.474 -8.139 1.00 0.00 N ATOM 974 CA LEU A 68 2.905 -5.641 -8.566 1.00 0.00 C ATOM 975 C LEU A 68 1.855 -6.467 -9.305 1.00 0.00 C ATOM 976 O LEU A 68 0.706 -6.548 -8.867 1.00 0.00 O ATOM 977 CB LEU A 68 3.393 -4.495 -9.455 1.00 0.00 C ATOM 978 CG LEU A 68 2.291 -3.602 -10.044 1.00 0.00 C ATOM 979 CD1 LEU A 68 2.817 -2.199 -10.300 1.00 0.00 C ATOM 980 CD2 LEU A 68 1.736 -4.204 -11.329 1.00 0.00 C ATOM 0 H LEU A 68 4.461 -7.016 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 68 2.443 -5.223 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.071 -3.870 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.973 -4.916 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 68 1.481 -3.540 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.021 -1.582 -10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.160 -1.762 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.647 -2.245 -11.005 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.957 -3.555 -11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.538 -4.301 -12.061 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.316 -5.187 -11.118 1.00 0.00 H new ATOM 992 N GLY A 69 2.252 -7.071 -10.427 1.00 0.00 N ATOM 993 CA GLY A 69 1.328 -7.873 -11.215 1.00 0.00 C ATOM 994 C GLY A 69 1.235 -9.313 -10.742 1.00 0.00 C ATOM 995 O GLY A 69 1.252 -10.235 -11.558 1.00 0.00 O ATOM 0 H GLY A 69 3.198 -7.018 -10.804 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.338 -7.419 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.643 -7.859 -12.258 1.00 0.00 H new ATOM 999 N GLU A 70 1.134 -9.508 -9.424 1.00 0.00 N ATOM 1000 CA GLU A 70 1.039 -10.846 -8.847 1.00 0.00 C ATOM 1001 C GLU A 70 0.255 -10.825 -7.533 1.00 0.00 C ATOM 1002 O GLU A 70 0.834 -10.969 -6.457 1.00 0.00 O ATOM 1003 CB GLU A 70 2.436 -11.424 -8.600 1.00 0.00 C ATOM 1004 CG GLU A 70 3.278 -11.570 -9.859 1.00 0.00 C ATOM 1005 CD GLU A 70 4.512 -12.426 -9.646 1.00 0.00 C ATOM 1006 OE1 GLU A 70 5.141 -12.314 -8.570 1.00 0.00 O ATOM 1007 OE2 GLU A 70 4.852 -13.212 -10.555 1.00 0.00 O ATOM 0 H GLU A 70 1.116 -8.753 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 70 0.509 -11.477 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.964 -10.782 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.335 -12.401 -8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.669 -12.009 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.582 -10.582 -10.204 1.00 0.00 H new ATOM 1014 N ALA A 71 -1.065 -10.650 -7.629 1.00 0.00 N ATOM 1015 CA ALA A 71 -1.928 -10.621 -6.445 1.00 0.00 C ATOM 1016 C ALA A 71 -1.703 -11.847 -5.551 1.00 0.00 C ATOM 1017 O ALA A 71 -1.903 -11.780 -4.337 1.00 0.00 O ATOM 1018 CB ALA A 71 -3.389 -10.538 -6.859 1.00 0.00 C ATOM 0 H ALA A 71 -1.559 -10.526 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.667 -9.734 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.019 -10.517 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.552 -9.630 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.645 -11.407 -7.465 1.00 0.00 H new ATOM 1024 N THR A 72 -1.282 -12.963 -6.155 1.00 0.00 N ATOM 1025 CA THR A 72 -1.027 -14.200 -5.416 1.00 0.00 C ATOM 1026 C THR A 72 0.434 -14.287 -4.955 1.00 0.00 C ATOM 1027 O THR A 72 1.016 -15.374 -4.904 1.00 0.00 O ATOM 1028 CB THR A 72 -1.375 -15.414 -6.285 1.00 0.00 C ATOM 1029 OG1 THR A 72 -1.144 -15.138 -7.658 1.00 0.00 O ATOM 1030 CG2 THR A 72 -2.815 -15.858 -6.145 1.00 0.00 C ATOM 0 H THR A 72 -1.111 -13.033 -7.158 1.00 0.00 H new ATOM 0 HA THR A 72 -1.660 -14.196 -4.529 1.00 0.00 H new ATOM 0 HB THR A 72 -0.726 -16.214 -5.929 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.371 -15.927 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.994 -16.721 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.013 -16.130 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.477 -15.044 -6.439 1.00 0.00 H new ATOM 1038 N ALA A 73 1.022 -13.140 -4.610 1.00 0.00 N ATOM 1039 CA ALA A 73 2.408 -13.093 -4.150 1.00 0.00 C ATOM 1040 C ALA A 73 2.539 -13.642 -2.728 1.00 0.00 C ATOM 1041 O ALA A 73 1.545 -14.000 -2.094 1.00 0.00 O ATOM 1042 CB ALA A 73 2.932 -11.665 -4.221 1.00 0.00 C ATOM 0 H ALA A 73 0.558 -12.232 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 73 3.007 -13.724 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.966 -11.639 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.884 -11.311 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.322 -11.022 -3.587 1.00 0.00 H new ATOM 1048 N ALA A 74 3.777 -13.707 -2.237 1.00 0.00 N ATOM 1049 CA ALA A 74 4.047 -14.210 -0.891 1.00 0.00 C ATOM 1050 C ALA A 74 4.299 -13.068 0.100 1.00 0.00 C ATOM 1051 O ALA A 74 5.067 -13.222 1.052 1.00 0.00 O ATOM 1052 CB ALA A 74 5.240 -15.159 -0.917 1.00 0.00 C ATOM 0 H ALA A 74 4.608 -13.417 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 74 3.163 -14.751 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.433 -15.528 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.022 -15.999 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.119 -14.629 -1.284 1.00 0.00 H new ATOM 1058 N GLY A 75 3.644 -11.926 -0.122 1.00 0.00 N ATOM 1059 CA GLY A 75 3.814 -10.785 0.763 1.00 0.00 C ATOM 1060 C GLY A 75 4.199 -9.521 0.016 1.00 0.00 C ATOM 1061 O GLY A 75 4.705 -9.586 -1.105 1.00 0.00 O ATOM 0 H GLY A 75 3.000 -11.773 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.887 -10.612 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.582 -11.014 1.502 1.00 0.00 H new ATOM 1065 N ASP A 76 3.955 -8.367 0.640 1.00 0.00 N ATOM 1066 CA ASP A 76 4.276 -7.083 0.027 1.00 0.00 C ATOM 1067 C ASP A 76 5.176 -6.248 0.931 1.00 0.00 C ATOM 1068 O ASP A 76 6.379 -6.135 0.691 1.00 0.00 O ATOM 1069 CB ASP A 76 2.989 -6.316 -0.299 1.00 0.00 C ATOM 1070 CG ASP A 76 2.508 -6.565 -1.716 1.00 0.00 C ATOM 1071 OD1 ASP A 76 2.381 -7.747 -2.101 1.00 0.00 O ATOM 1072 OD2 ASP A 76 2.261 -5.581 -2.440 1.00 0.00 O ATOM 0 H ASP A 76 3.537 -8.298 1.568 1.00 0.00 H new ATOM 0 HA ASP A 76 4.818 -7.277 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.208 -6.608 0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.160 -5.249 -0.159 1.00 0.00 H new ATOM 1077 N GLU A 77 4.585 -5.660 1.968 1.00 0.00 N ATOM 1078 CA GLU A 77 5.327 -4.830 2.910 1.00 0.00 C ATOM 1079 C GLU A 77 4.766 -4.974 4.327 1.00 0.00 C ATOM 1080 O GLU A 77 4.041 -5.929 4.621 1.00 0.00 O ATOM 1081 CB GLU A 77 5.288 -3.364 2.456 1.00 0.00 C ATOM 1082 CG GLU A 77 3.899 -2.741 2.504 1.00 0.00 C ATOM 1083 CD GLU A 77 3.833 -1.381 1.831 1.00 0.00 C ATOM 1084 OE1 GLU A 77 4.574 -1.160 0.850 1.00 0.00 O ATOM 1085 OE2 GLU A 77 3.037 -0.536 2.284 1.00 0.00 O ATOM 0 H GLU A 77 3.590 -5.744 2.177 1.00 0.00 H new ATOM 0 HA GLU A 77 6.364 -5.166 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.959 -2.781 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.670 -3.299 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.189 -3.413 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.588 -2.641 3.544 1.00 0.00 H new ATOM 1092 N LEU A 78 5.105 -4.025 5.199 1.00 0.00 N ATOM 1093 CA LEU A 78 4.636 -4.039 6.580 1.00 0.00 C ATOM 1094 C LEU A 78 3.841 -2.770 6.888 1.00 0.00 C ATOM 1095 O LEU A 78 2.769 -2.831 7.492 1.00 0.00 O ATOM 1096 CB LEU A 78 5.822 -4.171 7.545 1.00 0.00 C ATOM 1097 CG LEU A 78 6.147 -5.599 8.005 1.00 0.00 C ATOM 1098 CD1 LEU A 78 4.919 -6.266 8.606 1.00 0.00 C ATOM 1099 CD2 LEU A 78 6.695 -6.426 6.848 1.00 0.00 C ATOM 0 H LEU A 78 5.706 -3.234 4.969 1.00 0.00 H new ATOM 0 HA LEU A 78 3.980 -4.899 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.707 -3.753 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.620 -3.562 8.426 1.00 0.00 H new ATOM 0 HG LEU A 78 6.914 -5.540 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.173 -7.277 8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.576 -5.690 9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.126 -6.310 7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.919 -7.435 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.953 -6.473 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.606 -5.962 6.469 1.00 0.00 H new ATOM 1111 N ALA A 79 4.375 -1.622 6.462 1.00 0.00 N ATOM 1112 CA ALA A 79 3.723 -0.334 6.684 1.00 0.00 C ATOM 1113 C ALA A 79 4.187 0.703 5.656 1.00 0.00 C ATOM 1114 O ALA A 79 5.151 0.472 4.925 1.00 0.00 O ATOM 1115 CB ALA A 79 4.006 0.157 8.096 1.00 0.00 C ATOM 0 H ALA A 79 5.261 -1.561 5.960 1.00 0.00 H new ATOM 0 HA ALA A 79 2.648 -0.469 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.516 1.118 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.624 -0.567 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.081 0.272 8.233 1.00 0.00 H new ATOM 1121 N LEU A 80 3.500 1.848 5.615 1.00 0.00 N ATOM 1122 CA LEU A 80 3.842 2.922 4.688 1.00 0.00 C ATOM 1123 C LEU A 80 3.401 4.275 5.246 1.00 0.00 C ATOM 1124 O LEU A 80 2.224 4.481 5.548 1.00 0.00 O ATOM 1125 CB LEU A 80 3.198 2.680 3.319 1.00 0.00 C ATOM 1126 CG LEU A 80 3.893 3.373 2.142 1.00 0.00 C ATOM 1127 CD1 LEU A 80 3.818 2.508 0.893 1.00 0.00 C ATOM 1128 CD2 LEU A 80 3.275 4.740 1.886 1.00 0.00 C ATOM 0 H LEU A 80 2.702 2.052 6.216 1.00 0.00 H new ATOM 0 HA LEU A 80 4.925 2.932 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.178 1.607 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.162 3.016 3.358 1.00 0.00 H new ATOM 0 HG LEU A 80 4.943 3.515 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.317 3.016 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.310 1.554 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.774 2.333 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.781 5.217 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.217 4.623 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.383 5.361 2.775 1.00 0.00 H new ATOM 1140 N PHE A 81 4.352 5.185 5.395 1.00 0.00 N ATOM 1141 CA PHE A 81 4.066 6.515 5.930 1.00 0.00 C ATOM 1142 C PHE A 81 5.034 7.558 5.371 1.00 0.00 C ATOM 1143 O PHE A 81 6.241 7.317 5.297 1.00 0.00 O ATOM 1144 CB PHE A 81 4.132 6.504 7.464 1.00 0.00 C ATOM 1145 CG PHE A 81 5.365 5.842 8.023 1.00 0.00 C ATOM 1146 CD1 PHE A 81 5.498 4.460 8.007 1.00 0.00 C ATOM 1147 CD2 PHE A 81 6.388 6.602 8.565 1.00 0.00 C ATOM 1148 CE1 PHE A 81 6.629 3.853 8.518 1.00 0.00 C ATOM 1149 CE2 PHE A 81 7.521 5.999 9.078 1.00 0.00 C ATOM 1150 CZ PHE A 81 7.642 4.624 9.055 1.00 0.00 C ATOM 0 H PHE A 81 5.331 5.030 5.154 1.00 0.00 H new ATOM 0 HA PHE A 81 3.057 6.787 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.089 7.531 7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.251 5.992 7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.708 3.853 7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.299 7.678 8.587 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.721 2.777 8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.312 6.604 9.497 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.527 4.152 9.456 1.00 0.00 H new ATOM 1160 N PRO A 82 4.518 8.735 4.968 1.00 0.00 N ATOM 1161 CA PRO A 82 5.343 9.813 4.417 1.00 0.00 C ATOM 1162 C PRO A 82 6.074 10.607 5.501 1.00 0.00 C ATOM 1163 O PRO A 82 5.558 10.785 6.607 1.00 0.00 O ATOM 1164 CB PRO A 82 4.319 10.696 3.702 1.00 0.00 C ATOM 1165 CG PRO A 82 3.059 10.516 4.479 1.00 0.00 C ATOM 1166 CD PRO A 82 3.087 9.108 5.020 1.00 0.00 C ATOM 0 HA PRO A 82 6.134 9.435 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.633 11.740 3.693 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.191 10.393 2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.996 11.242 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.186 10.670 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.699 9.063 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.477 8.436 4.417 1.00 0.00 H new ATOM 1174 N PRO A 83 7.294 11.095 5.194 1.00 0.00 N ATOM 1175 CA PRO A 83 8.103 11.874 6.144 1.00 0.00 C ATOM 1176 C PRO A 83 7.365 13.105 6.668 1.00 0.00 C ATOM 1177 O PRO A 83 6.589 13.729 5.942 1.00 0.00 O ATOM 1178 CB PRO A 83 9.321 12.305 5.318 1.00 0.00 C ATOM 1179 CG PRO A 83 9.397 11.319 4.206 1.00 0.00 C ATOM 1180 CD PRO A 83 7.981 10.925 3.900 1.00 0.00 C ATOM 0 HA PRO A 83 8.354 11.288 7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.202 13.320 4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.230 12.294 5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.878 11.756 3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.989 10.451 4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.545 11.558 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.918 9.897 3.543 1.00 0.00 H new ATOM 1188 N VAL A 84 7.612 13.449 7.932 1.00 0.00 N ATOM 1189 CA VAL A 84 6.972 14.606 8.552 1.00 0.00 C ATOM 1190 C VAL A 84 7.671 14.991 9.859 1.00 0.00 C ATOM 1191 O VAL A 84 7.748 14.193 10.797 1.00 0.00 O ATOM 1192 CB VAL A 84 5.470 14.342 8.815 1.00 0.00 C ATOM 1193 CG1 VAL A 84 5.279 13.189 9.790 1.00 0.00 C ATOM 1194 CG2 VAL A 84 4.781 15.605 9.316 1.00 0.00 C ATOM 0 H VAL A 84 8.251 12.942 8.545 1.00 0.00 H new ATOM 0 HA VAL A 84 7.061 15.437 7.852 1.00 0.00 H new ATOM 0 HB VAL A 84 5.006 14.056 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.214 13.026 9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.724 12.285 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.761 13.430 10.737 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.726 15.397 9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.249 15.931 10.245 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.874 16.392 8.567 1.00 0.00 H new ATOM 1204 N SER A 85 8.185 16.221 9.909 1.00 0.00 N ATOM 1205 CA SER A 85 8.883 16.719 11.091 1.00 0.00 C ATOM 1206 C SER A 85 8.572 18.195 11.324 1.00 0.00 C ATOM 1207 O SER A 85 8.571 18.992 10.384 1.00 0.00 O ATOM 1208 CB SER A 85 10.395 16.525 10.939 1.00 0.00 C ATOM 1209 OG SER A 85 10.804 15.274 11.461 1.00 0.00 O ATOM 0 H SER A 85 8.130 16.891 9.142 1.00 0.00 H new ATOM 0 HA SER A 85 8.535 16.150 11.953 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.669 16.590 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.921 17.328 11.456 1.00 0.00 H new ATOM 0 HG SER A 85 11.773 15.174 11.350 1.00 0.00 H new ATOM 1215 N GLY A 86 8.306 18.552 12.581 1.00 0.00 N ATOM 1216 CA GLY A 86 7.995 19.932 12.914 1.00 0.00 C ATOM 1217 C GLY A 86 6.526 20.134 13.238 1.00 0.00 C ATOM 1218 O GLY A 86 6.191 20.815 14.209 1.00 0.00 O ATOM 0 H GLY A 86 8.301 17.909 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.598 20.241 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.271 20.575 12.079 1.00 0.00 H new ATOM 1222 N GLY A 87 5.653 19.540 12.423 1.00 0.00 N ATOM 1223 CA GLY A 87 4.222 19.662 12.636 1.00 0.00 C ATOM 1224 C GLY A 87 3.561 20.566 11.613 1.00 0.00 C ATOM 1225 O GLY A 87 2.798 20.049 10.770 1.00 0.00 O ATOM 0 H GLY A 87 5.916 18.974 11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.765 18.673 12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.038 20.054 13.636 1.00 0.00 H new TER 1229 GLY A 87