USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=9 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 Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.198) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0146 (180deg=-0.246) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0845 USER MOD Single : A 39 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-1.2) USER MOD Single : A 44 SER OG : rot 140:sc= -0.877 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 ASN : amide:sc= -0.475 X(o=-0.47,f=-0.39) USER MOD Single : A 72 THR OG1 : rot -43:sc= 0.77 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.668 -9.552 3.452 1.00 0.00 N ATOM 2 CA MET A 1 0.194 -9.583 3.233 1.00 0.00 C ATOM 3 C MET A 1 -0.512 -8.511 4.070 1.00 0.00 C ATOM 4 O MET A 1 -1.640 -8.713 4.528 1.00 0.00 O ATOM 5 CB MET A 1 -0.329 -10.980 3.597 1.00 0.00 C ATOM 6 CG MET A 1 0.073 -11.443 4.989 1.00 0.00 C ATOM 7 SD MET A 1 -1.200 -12.447 5.779 1.00 0.00 S ATOM 8 CE MET A 1 -2.128 -11.192 6.656 1.00 0.00 C ATOM 0 H1 MET A 1 2.102 -10.388 3.011 1.00 0.00 H new ATOM 0 H2 MET A 1 2.064 -8.690 3.026 1.00 0.00 H new ATOM 0 H3 MET A 1 1.867 -9.557 4.473 1.00 0.00 H new ATOM 0 HA MET A 1 -0.017 -9.370 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.417 -10.981 3.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.040 -11.698 2.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.996 -12.018 4.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.283 -10.573 5.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.825 -11.670 7.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.442 -10.557 7.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.683 -10.584 5.942 1.00 0.00 H new ATOM 20 N GLU A 2 0.157 -7.372 4.265 1.00 0.00 N ATOM 21 CA GLU A 2 -0.406 -6.271 5.047 1.00 0.00 C ATOM 22 C GLU A 2 -0.011 -4.922 4.448 1.00 0.00 C ATOM 23 O GLU A 2 0.952 -4.830 3.684 1.00 0.00 O ATOM 24 CB GLU A 2 0.047 -6.349 6.513 1.00 0.00 C ATOM 25 CG GLU A 2 1.295 -7.192 6.743 1.00 0.00 C ATOM 26 CD GLU A 2 2.111 -6.745 7.946 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.597 -5.939 8.754 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.263 -7.205 8.081 1.00 0.00 O ATOM 0 H GLU A 2 1.089 -7.189 3.892 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.492 -6.363 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.234 -5.339 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.768 -6.758 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.002 -8.233 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.922 -7.151 5.852 1.00 0.00 H new ATOM 35 N TRP A 3 -0.769 -3.882 4.803 1.00 0.00 N ATOM 36 CA TRP A 3 -0.524 -2.530 4.309 1.00 0.00 C ATOM 37 C TRP A 3 -0.933 -1.501 5.359 1.00 0.00 C ATOM 38 O TRP A 3 -1.924 -1.687 6.066 1.00 0.00 O ATOM 39 CB TRP A 3 -1.316 -2.274 3.019 1.00 0.00 C ATOM 40 CG TRP A 3 -0.936 -3.174 1.881 1.00 0.00 C ATOM 41 CD1 TRP A 3 -1.256 -4.495 1.737 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.170 -2.819 0.725 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.729 -4.982 0.568 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.058 -3.973 -0.071 1.00 0.00 C ATOM 45 CE3 TRP A 3 0.436 -1.637 0.289 1.00 0.00 C ATOM 46 CZ2 TRP A 3 0.633 -3.978 -1.280 1.00 0.00 C ATOM 47 CZ3 TRP A 3 1.122 -1.644 -0.911 1.00 0.00 C ATOM 48 CH2 TRP A 3 1.216 -2.808 -1.683 1.00 0.00 C ATOM 0 H TRP A 3 -1.565 -3.955 5.437 1.00 0.00 H new ATOM 0 HA TRP A 3 0.542 -2.435 4.101 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.379 -2.397 3.227 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.169 -1.238 2.714 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.839 -5.071 2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.822 -5.940 0.230 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.369 -0.735 0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 0.706 -4.874 -1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.593 -0.737 -1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.760 -2.782 -2.616 1.00 0.00 H new ATOM 59 N LYS A 4 -0.174 -0.414 5.451 1.00 0.00 N ATOM 60 CA LYS A 4 -0.471 0.649 6.407 1.00 0.00 C ATOM 61 C LYS A 4 -0.351 2.012 5.736 1.00 0.00 C ATOM 62 O LYS A 4 0.509 2.212 4.882 1.00 0.00 O ATOM 63 CB LYS A 4 0.472 0.565 7.610 1.00 0.00 C ATOM 64 CG LYS A 4 -0.112 -0.203 8.785 1.00 0.00 C ATOM 65 CD LYS A 4 0.250 0.444 10.113 1.00 0.00 C ATOM 66 CE LYS A 4 1.380 -0.299 10.810 1.00 0.00 C ATOM 67 NZ LYS A 4 2.346 0.632 11.460 1.00 0.00 N ATOM 0 H LYS A 4 0.651 -0.245 4.876 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.495 0.522 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.402 0.088 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.724 1.574 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.197 -0.250 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.255 -1.229 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.544 1.480 9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.627 0.463 10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.963 -0.970 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.907 -0.919 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.099 0.084 11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.764 1.256 10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.850 1.207 12.171 1.00 0.00 H new ATOM 81 N LEU A 5 -1.221 2.944 6.116 1.00 0.00 N ATOM 82 CA LEU A 5 -1.204 4.286 5.530 1.00 0.00 C ATOM 83 C LEU A 5 -1.289 5.364 6.609 1.00 0.00 C ATOM 84 O LEU A 5 -1.753 5.109 7.720 1.00 0.00 O ATOM 85 CB LEU A 5 -2.360 4.438 4.536 1.00 0.00 C ATOM 86 CG LEU A 5 -2.171 5.516 3.467 1.00 0.00 C ATOM 87 CD1 LEU A 5 -1.064 5.125 2.498 1.00 0.00 C ATOM 88 CD2 LEU A 5 -3.476 5.750 2.720 1.00 0.00 C ATOM 0 H LEU A 5 -1.943 2.799 6.822 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.258 4.414 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.517 3.481 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.270 4.660 5.094 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.879 6.444 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.946 5.905 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.129 5.003 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.323 4.186 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.328 6.519 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.792 4.824 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.244 6.075 3.422 1.00 0.00 H new ATOM 100 N PHE A 6 -0.833 6.571 6.273 1.00 0.00 N ATOM 101 CA PHE A 6 -0.863 7.688 7.213 1.00 0.00 C ATOM 102 C PHE A 6 -2.182 8.453 7.110 1.00 0.00 C ATOM 103 O PHE A 6 -2.910 8.325 6.124 1.00 0.00 O ATOM 104 CB PHE A 6 0.316 8.635 6.955 1.00 0.00 C ATOM 105 CG PHE A 6 0.653 9.509 8.134 1.00 0.00 C ATOM 106 CD1 PHE A 6 1.068 8.950 9.332 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.549 10.887 8.042 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.373 9.749 10.416 1.00 0.00 C ATOM 109 CE2 PHE A 6 0.852 11.692 9.123 1.00 0.00 C ATOM 110 CZ PHE A 6 1.266 11.122 10.312 1.00 0.00 C ATOM 0 H PHE A 6 -0.440 6.798 5.360 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.778 7.283 8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.193 8.046 6.687 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.083 9.268 6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.154 7.877 9.419 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.227 11.337 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.695 9.301 11.344 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.765 12.765 9.039 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.505 11.749 11.158 1.00 0.00 H new ATOM 120 N ALA A 7 -2.482 9.252 8.137 1.00 0.00 N ATOM 121 CA ALA A 7 -3.713 10.044 8.167 1.00 0.00 C ATOM 122 C ALA A 7 -3.794 11.012 6.984 1.00 0.00 C ATOM 123 O ALA A 7 -4.885 11.430 6.600 1.00 0.00 O ATOM 124 CB ALA A 7 -3.823 10.810 9.477 1.00 0.00 C ATOM 0 H ALA A 7 -1.889 9.367 8.959 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.549 9.349 8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.744 11.393 9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.835 10.107 10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.969 11.480 9.580 1.00 0.00 H new ATOM 130 N ASP A 8 -2.640 11.355 6.403 1.00 0.00 N ATOM 131 CA ASP A 8 -2.598 12.265 5.257 1.00 0.00 C ATOM 132 C ASP A 8 -3.492 11.749 4.130 1.00 0.00 C ATOM 133 O ASP A 8 -4.075 12.532 3.379 1.00 0.00 O ATOM 134 CB ASP A 8 -1.158 12.432 4.755 1.00 0.00 C ATOM 135 CG ASP A 8 -0.407 13.529 5.490 1.00 0.00 C ATOM 136 OD1 ASP A 8 -0.980 14.622 5.680 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.759 13.294 5.871 1.00 0.00 O ATOM 0 H ASP A 8 -1.727 11.017 6.707 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.970 13.238 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.624 11.489 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.173 12.658 3.689 1.00 0.00 H new ATOM 142 N LEU A 9 -3.599 10.423 4.023 1.00 0.00 N ATOM 143 CA LEU A 9 -4.425 9.791 3.002 1.00 0.00 C ATOM 144 C LEU A 9 -5.648 9.109 3.626 1.00 0.00 C ATOM 145 O LEU A 9 -6.744 9.150 3.068 1.00 0.00 O ATOM 146 CB LEU A 9 -3.596 8.780 2.214 1.00 0.00 C ATOM 147 CG LEU A 9 -2.729 9.387 1.106 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.260 9.073 1.342 1.00 0.00 C ATOM 149 CD2 LEU A 9 -3.175 8.881 -0.258 1.00 0.00 C ATOM 0 H LEU A 9 -3.119 9.765 4.637 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.783 10.565 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.950 8.241 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.269 8.047 1.769 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.853 10.470 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.661 9.513 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.949 9.488 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.116 7.993 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.548 9.323 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.083 7.795 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.214 9.162 -0.428 1.00 0.00 H new ATOM 161 N ALA A 10 -5.461 8.489 4.793 1.00 0.00 N ATOM 162 CA ALA A 10 -6.560 7.808 5.484 1.00 0.00 C ATOM 163 C ALA A 10 -7.630 8.793 5.968 1.00 0.00 C ATOM 164 O ALA A 10 -8.726 8.385 6.350 1.00 0.00 O ATOM 165 CB ALA A 10 -6.032 6.996 6.655 1.00 0.00 C ATOM 0 H ALA A 10 -4.565 8.444 5.278 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.028 7.137 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.862 6.498 7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.327 6.249 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.528 7.658 7.359 1.00 0.00 H new ATOM 171 N GLU A 11 -7.308 10.088 5.954 1.00 0.00 N ATOM 172 CA GLU A 11 -8.245 11.118 6.392 1.00 0.00 C ATOM 173 C GLU A 11 -9.383 11.316 5.384 1.00 0.00 C ATOM 174 O GLU A 11 -10.471 11.763 5.755 1.00 0.00 O ATOM 175 CB GLU A 11 -7.505 12.442 6.611 1.00 0.00 C ATOM 176 CG GLU A 11 -8.408 13.595 7.023 1.00 0.00 C ATOM 177 CD GLU A 11 -7.639 14.789 7.567 1.00 0.00 C ATOM 178 OE1 GLU A 11 -6.418 14.884 7.310 1.00 0.00 O ATOM 179 OE2 GLU A 11 -8.260 15.629 8.249 1.00 0.00 O ATOM 0 H GLU A 11 -6.405 10.446 5.644 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.686 10.786 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.744 12.298 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.985 12.712 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.998 13.912 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.110 13.246 7.781 1.00 0.00 H new ATOM 186 N VAL A 12 -9.134 10.995 4.112 1.00 0.00 N ATOM 187 CA VAL A 12 -10.153 11.159 3.078 1.00 0.00 C ATOM 188 C VAL A 12 -10.947 9.871 2.858 1.00 0.00 C ATOM 189 O VAL A 12 -12.173 9.905 2.745 1.00 0.00 O ATOM 190 CB VAL A 12 -9.542 11.615 1.740 1.00 0.00 C ATOM 191 CG1 VAL A 12 -10.635 12.054 0.775 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.541 12.739 1.967 1.00 0.00 C ATOM 0 H VAL A 12 -8.245 10.624 3.778 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.830 11.934 3.437 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.014 10.771 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.184 12.373 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.312 11.220 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.192 12.884 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.119 13.049 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.044 13.586 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.742 12.388 2.620 1.00 0.00 H new ATOM 202 N ALA A 13 -10.245 8.740 2.797 1.00 0.00 N ATOM 203 CA ALA A 13 -10.897 7.448 2.587 1.00 0.00 C ATOM 204 C ALA A 13 -11.411 6.856 3.900 1.00 0.00 C ATOM 205 O ALA A 13 -12.387 6.104 3.906 1.00 0.00 O ATOM 206 CB ALA A 13 -9.944 6.474 1.911 1.00 0.00 C ATOM 0 H ALA A 13 -9.230 8.692 2.889 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.755 7.616 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.446 5.518 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.637 6.876 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.066 6.329 2.540 1.00 0.00 H new ATOM 212 N GLY A 14 -10.747 7.187 5.008 1.00 0.00 N ATOM 213 CA GLY A 14 -11.150 6.667 6.304 1.00 0.00 C ATOM 214 C GLY A 14 -10.358 5.435 6.715 1.00 0.00 C ATOM 215 O GLY A 14 -10.284 5.111 7.903 1.00 0.00 O ATOM 0 H GLY A 14 -9.937 7.806 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.023 7.444 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.211 6.419 6.277 1.00 0.00 H new ATOM 219 N SER A 15 -9.767 4.747 5.737 1.00 0.00 N ATOM 220 CA SER A 15 -8.980 3.547 6.003 1.00 0.00 C ATOM 221 C SER A 15 -7.535 3.731 5.547 1.00 0.00 C ATOM 222 O SER A 15 -7.279 4.150 4.416 1.00 0.00 O ATOM 223 CB SER A 15 -9.598 2.336 5.299 1.00 0.00 C ATOM 224 OG SER A 15 -9.831 1.278 6.211 1.00 0.00 O ATOM 0 H SER A 15 -9.820 5.003 4.751 1.00 0.00 H new ATOM 0 HA SER A 15 -8.984 3.373 7.079 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.537 2.626 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.934 1.995 4.505 1.00 0.00 H new ATOM 0 HG SER A 15 -10.227 0.518 5.736 1.00 0.00 H new ATOM 230 N ARG A 16 -6.599 3.412 6.436 1.00 0.00 N ATOM 231 CA ARG A 16 -5.177 3.533 6.137 1.00 0.00 C ATOM 232 C ARG A 16 -4.535 2.156 5.999 1.00 0.00 C ATOM 233 O ARG A 16 -3.806 1.893 5.042 1.00 0.00 O ATOM 234 CB ARG A 16 -4.451 4.339 7.225 1.00 0.00 C ATOM 235 CG ARG A 16 -5.251 4.542 8.504 1.00 0.00 C ATOM 236 CD ARG A 16 -4.464 5.341 9.529 1.00 0.00 C ATOM 237 NE ARG A 16 -4.071 4.524 10.677 1.00 0.00 N ATOM 238 CZ ARG A 16 -3.099 4.854 11.529 1.00 0.00 C ATOM 239 NH1 ARG A 16 -2.414 5.984 11.371 1.00 0.00 N ATOM 240 NH2 ARG A 16 -2.810 4.051 12.547 1.00 0.00 N ATOM 0 H ARG A 16 -6.802 3.066 7.374 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.083 4.064 5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.518 3.832 7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.186 5.315 6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.182 5.059 8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.520 3.573 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.573 5.757 9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.066 6.183 9.872 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.570 3.649 10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.630 6.607 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.673 6.227 12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.331 3.184 12.676 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.067 4.302 13.199 1.00 0.00 H new ATOM 254 N THR A 17 -4.812 1.280 6.965 1.00 0.00 N ATOM 255 CA THR A 17 -4.260 -0.070 6.955 1.00 0.00 C ATOM 256 C THR A 17 -5.210 -1.046 6.262 1.00 0.00 C ATOM 257 O THR A 17 -6.431 -0.955 6.416 1.00 0.00 O ATOM 258 CB THR A 17 -3.961 -0.540 8.386 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.118 -1.083 8.998 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.445 0.563 9.288 1.00 0.00 C ATOM 0 H THR A 17 -5.415 1.483 7.762 1.00 0.00 H new ATOM 0 HA THR A 17 -3.327 -0.048 6.393 1.00 0.00 H new ATOM 0 HB THR A 17 -3.183 -1.295 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.900 -1.376 9.907 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.255 0.160 10.283 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.520 0.966 8.877 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.189 1.357 9.354 1.00 0.00 H new ATOM 268 N VAL A 18 -4.641 -1.975 5.494 1.00 0.00 N ATOM 269 CA VAL A 18 -5.434 -2.968 4.772 1.00 0.00 C ATOM 270 C VAL A 18 -4.739 -4.329 4.772 1.00 0.00 C ATOM 271 O VAL A 18 -3.581 -4.446 4.366 1.00 0.00 O ATOM 272 CB VAL A 18 -5.689 -2.537 3.310 1.00 0.00 C ATOM 273 CG1 VAL A 18 -6.774 -3.397 2.680 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.061 -1.061 3.237 1.00 0.00 C ATOM 0 H VAL A 18 -3.634 -2.060 5.356 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.389 -3.046 5.291 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.767 -2.682 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.939 -3.078 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.462 -4.441 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.699 -3.288 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.236 -0.781 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.967 -0.885 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.247 -0.460 3.643 1.00 0.00 H new ATOM 284 N ARG A 19 -5.457 -5.357 5.225 1.00 0.00 N ATOM 285 CA ARG A 19 -4.913 -6.714 5.272 1.00 0.00 C ATOM 286 C ARG A 19 -5.324 -7.504 4.030 1.00 0.00 C ATOM 287 O ARG A 19 -6.350 -7.214 3.412 1.00 0.00 O ATOM 288 CB ARG A 19 -5.392 -7.439 6.534 1.00 0.00 C ATOM 289 CG ARG A 19 -4.991 -6.746 7.828 1.00 0.00 C ATOM 290 CD ARG A 19 -5.741 -7.315 9.023 1.00 0.00 C ATOM 291 NE ARG A 19 -6.108 -6.279 9.986 1.00 0.00 N ATOM 292 CZ ARG A 19 -7.149 -5.454 9.837 1.00 0.00 C ATOM 293 NH1 ARG A 19 -7.926 -5.536 8.760 1.00 0.00 N ATOM 294 NH2 ARG A 19 -7.412 -4.544 10.768 1.00 0.00 N ATOM 0 H ARG A 19 -6.416 -5.276 5.564 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.826 -6.643 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.478 -7.527 6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.990 -8.452 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.918 -6.858 7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.192 -5.678 7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.641 -7.823 8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.122 -8.064 9.516 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.534 -6.179 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.729 -6.232 8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.719 -4.903 8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.820 -4.475 11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.206 -3.914 10.655 1.00 0.00 H new ATOM 308 N VAL A 20 -4.519 -8.503 3.667 1.00 0.00 N ATOM 309 CA VAL A 20 -4.805 -9.330 2.498 1.00 0.00 C ATOM 310 C VAL A 20 -5.396 -10.677 2.913 1.00 0.00 C ATOM 311 O VAL A 20 -4.767 -11.440 3.650 1.00 0.00 O ATOM 312 CB VAL A 20 -3.535 -9.568 1.648 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.878 -10.295 0.356 1.00 0.00 C ATOM 314 CG2 VAL A 20 -2.828 -8.251 1.353 1.00 0.00 C ATOM 0 H VAL A 20 -3.666 -8.757 4.165 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.533 -8.788 1.894 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.856 -10.198 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.970 -10.451 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.330 -11.259 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.581 -9.696 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.938 -8.442 0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.500 -7.592 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.540 -7.775 2.290 1.00 0.00 H new ATOM 324 N ASP A 21 -6.610 -10.959 2.437 1.00 0.00 N ATOM 325 CA ASP A 21 -7.292 -12.210 2.759 1.00 0.00 C ATOM 326 C ASP A 21 -7.397 -13.112 1.532 1.00 0.00 C ATOM 327 O ASP A 21 -6.684 -14.112 1.424 1.00 0.00 O ATOM 328 CB ASP A 21 -8.688 -11.918 3.323 1.00 0.00 C ATOM 329 CG ASP A 21 -8.705 -11.876 4.840 1.00 0.00 C ATOM 330 OD1 ASP A 21 -7.897 -11.120 5.423 1.00 0.00 O ATOM 331 OD2 ASP A 21 -9.526 -12.596 5.443 1.00 0.00 O ATOM 0 H ASP A 21 -7.140 -10.337 1.827 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.704 -12.733 3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.042 -10.964 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.384 -12.682 2.976 1.00 0.00 H new ATOM 336 N VAL A 22 -8.288 -12.752 0.613 1.00 0.00 N ATOM 337 CA VAL A 22 -8.491 -13.525 -0.608 1.00 0.00 C ATOM 338 C VAL A 22 -7.731 -12.906 -1.781 1.00 0.00 C ATOM 339 O VAL A 22 -7.589 -11.684 -1.866 1.00 0.00 O ATOM 340 CB VAL A 22 -9.991 -13.641 -0.963 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.604 -12.267 -1.205 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.192 -14.546 -2.174 1.00 0.00 C ATOM 0 H VAL A 22 -8.883 -11.927 0.691 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.102 -14.526 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.504 -14.091 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.660 -12.378 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.504 -11.661 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.087 -11.778 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.255 -14.613 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.659 -14.132 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.805 -15.541 -1.953 1.00 0.00 H new ATOM 352 N ASP A 23 -7.246 -13.758 -2.682 1.00 0.00 N ATOM 353 CA ASP A 23 -6.500 -13.298 -3.849 1.00 0.00 C ATOM 354 C ASP A 23 -7.438 -12.989 -5.014 1.00 0.00 C ATOM 355 O ASP A 23 -8.380 -13.738 -5.282 1.00 0.00 O ATOM 356 CB ASP A 23 -5.473 -14.351 -4.273 1.00 0.00 C ATOM 357 CG ASP A 23 -4.379 -13.773 -5.152 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.737 -12.787 -4.734 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.164 -14.310 -6.260 1.00 0.00 O ATOM 0 H ASP A 23 -7.357 -14.770 -2.625 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.979 -12.381 -3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.024 -14.795 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.980 -15.153 -4.809 1.00 0.00 H new ATOM 364 N GLY A 24 -7.170 -11.880 -5.702 1.00 0.00 N ATOM 365 CA GLY A 24 -7.993 -11.485 -6.834 1.00 0.00 C ATOM 366 C GLY A 24 -7.267 -10.541 -7.778 1.00 0.00 C ATOM 367 O GLY A 24 -6.217 -10.888 -8.320 1.00 0.00 O ATOM 0 H GLY A 24 -6.397 -11.248 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.303 -12.375 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.900 -11.003 -6.469 1.00 0.00 H new ATOM 371 N ASP A 25 -7.825 -9.346 -7.972 1.00 0.00 N ATOM 372 CA ASP A 25 -7.219 -8.350 -8.856 1.00 0.00 C ATOM 373 C ASP A 25 -6.460 -7.292 -8.053 1.00 0.00 C ATOM 374 O ASP A 25 -6.450 -6.112 -8.411 1.00 0.00 O ATOM 375 CB ASP A 25 -8.293 -7.687 -9.723 1.00 0.00 C ATOM 376 CG ASP A 25 -7.789 -7.358 -11.113 1.00 0.00 C ATOM 377 OD1 ASP A 25 -7.040 -6.368 -11.256 1.00 0.00 O ATOM 378 OD2 ASP A 25 -8.142 -8.088 -12.063 1.00 0.00 O ATOM 0 H ASP A 25 -8.694 -9.045 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.506 -8.861 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.155 -8.350 -9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.635 -6.773 -9.238 1.00 0.00 H new ATOM 383 N ALA A 26 -5.820 -7.724 -6.968 1.00 0.00 N ATOM 384 CA ALA A 26 -5.053 -6.823 -6.116 1.00 0.00 C ATOM 385 C ALA A 26 -3.565 -7.150 -6.185 1.00 0.00 C ATOM 386 O ALA A 26 -3.152 -8.263 -5.858 1.00 0.00 O ATOM 387 CB ALA A 26 -5.551 -6.907 -4.679 1.00 0.00 C ATOM 0 H ALA A 26 -5.819 -8.696 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.194 -5.804 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.970 -6.230 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.603 -6.624 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.436 -7.927 -4.313 1.00 0.00 H new ATOM 393 N THR A 27 -2.768 -6.175 -6.618 1.00 0.00 N ATOM 394 CA THR A 27 -1.322 -6.356 -6.738 1.00 0.00 C ATOM 395 C THR A 27 -0.576 -5.441 -5.769 1.00 0.00 C ATOM 396 O THR A 27 -1.180 -4.593 -5.109 1.00 0.00 O ATOM 397 CB THR A 27 -0.861 -6.099 -8.178 1.00 0.00 C ATOM 398 OG1 THR A 27 -1.963 -5.861 -9.040 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.069 -7.246 -8.760 1.00 0.00 C ATOM 0 H THR A 27 -3.099 -5.250 -6.892 1.00 0.00 H new ATOM 0 HA THR A 27 -1.090 -7.389 -6.480 1.00 0.00 H new ATOM 0 HB THR A 27 -0.220 -5.219 -8.116 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.637 -5.699 -9.950 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.228 -7.003 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.821 -7.418 -8.154 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.683 -8.146 -8.766 1.00 0.00 H new ATOM 407 N VAL A 28 0.744 -5.611 -5.692 1.00 0.00 N ATOM 408 CA VAL A 28 1.572 -4.796 -4.811 1.00 0.00 C ATOM 409 C VAL A 28 1.800 -3.423 -5.428 1.00 0.00 C ATOM 410 O VAL A 28 1.769 -2.405 -4.737 1.00 0.00 O ATOM 411 CB VAL A 28 2.931 -5.468 -4.522 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.724 -4.667 -3.498 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.731 -6.902 -4.046 1.00 0.00 C ATOM 0 H VAL A 28 1.260 -6.307 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 28 1.040 -4.690 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 28 3.502 -5.492 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.678 -5.160 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.904 -3.663 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.159 -4.604 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.701 -7.358 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.136 -6.903 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.213 -7.472 -4.817 1.00 0.00 H new ATOM 423 N GLY A 29 2.007 -3.401 -6.744 1.00 0.00 N ATOM 424 CA GLY A 29 2.208 -2.148 -7.433 1.00 0.00 C ATOM 425 C GLY A 29 0.893 -1.452 -7.729 1.00 0.00 C ATOM 426 O GLY A 29 0.819 -0.222 -7.739 1.00 0.00 O ATOM 0 H GLY A 29 2.038 -4.229 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.836 -1.496 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.743 -2.328 -8.366 1.00 0.00 H new ATOM 430 N ASP A 30 -0.156 -2.251 -7.960 1.00 0.00 N ATOM 431 CA ASP A 30 -1.487 -1.723 -8.246 1.00 0.00 C ATOM 432 C ASP A 30 -2.000 -0.886 -7.073 1.00 0.00 C ATOM 433 O ASP A 30 -2.514 0.218 -7.265 1.00 0.00 O ATOM 434 CB ASP A 30 -2.456 -2.874 -8.534 1.00 0.00 C ATOM 435 CG ASP A 30 -3.883 -2.402 -8.749 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.195 -1.947 -9.868 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.684 -2.487 -7.795 1.00 0.00 O ATOM 0 H ASP A 30 -0.103 -3.270 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.423 -1.081 -9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.119 -3.413 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.433 -3.579 -7.703 1.00 0.00 H new ATOM 442 N ALA A 31 -1.839 -1.414 -5.858 1.00 0.00 N ATOM 443 CA ALA A 31 -2.266 -0.715 -4.650 1.00 0.00 C ATOM 444 C ALA A 31 -1.285 0.396 -4.297 1.00 0.00 C ATOM 445 O ALA A 31 -1.675 1.423 -3.743 1.00 0.00 O ATOM 446 CB ALA A 31 -2.408 -1.692 -3.488 1.00 0.00 C ATOM 0 H ALA A 31 -1.415 -2.326 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.240 -0.264 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.727 -1.153 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.150 -2.450 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.448 -2.173 -3.297 1.00 0.00 H new ATOM 452 N LEU A 32 -0.010 0.187 -4.636 1.00 0.00 N ATOM 453 CA LEU A 32 1.024 1.177 -4.369 1.00 0.00 C ATOM 454 C LEU A 32 0.657 2.501 -5.026 1.00 0.00 C ATOM 455 O LEU A 32 0.528 3.524 -4.353 1.00 0.00 O ATOM 456 CB LEU A 32 2.381 0.696 -4.888 1.00 0.00 C ATOM 457 CG LEU A 32 3.534 1.688 -4.706 1.00 0.00 C ATOM 458 CD1 LEU A 32 4.631 1.081 -3.844 1.00 0.00 C ATOM 459 CD2 LEU A 32 4.088 2.119 -6.059 1.00 0.00 C ATOM 0 H LEU A 32 0.326 -0.660 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 32 1.097 1.318 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.638 -0.234 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.286 0.464 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 32 3.150 2.572 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.441 1.801 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.226 0.827 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.013 0.180 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.906 2.824 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.455 1.245 -6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.299 2.597 -6.640 1.00 0.00 H new ATOM 471 N ASP A 33 0.476 2.469 -6.347 1.00 0.00 N ATOM 472 CA ASP A 33 0.107 3.665 -7.101 1.00 0.00 C ATOM 473 C ASP A 33 -1.227 4.212 -6.610 1.00 0.00 C ATOM 474 O ASP A 33 -1.401 5.423 -6.500 1.00 0.00 O ATOM 475 CB ASP A 33 0.029 3.360 -8.599 1.00 0.00 C ATOM 476 CG ASP A 33 -0.321 4.582 -9.430 1.00 0.00 C ATOM 477 OD1 ASP A 33 0.239 5.666 -9.164 1.00 0.00 O ATOM 478 OD2 ASP A 33 -1.157 4.452 -10.349 1.00 0.00 O ATOM 0 H ASP A 33 0.579 1.628 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 33 0.878 4.418 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.986 2.960 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.718 2.584 -8.769 1.00 0.00 H new ATOM 483 N ALA A 34 -2.163 3.311 -6.304 1.00 0.00 N ATOM 484 CA ALA A 34 -3.478 3.711 -5.811 1.00 0.00 C ATOM 485 C ALA A 34 -3.338 4.530 -4.531 1.00 0.00 C ATOM 486 O ALA A 34 -3.823 5.659 -4.450 1.00 0.00 O ATOM 487 CB ALA A 34 -4.353 2.488 -5.570 1.00 0.00 C ATOM 0 H ALA A 34 -2.033 2.303 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.958 4.331 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.329 2.806 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.477 1.940 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.880 1.842 -4.830 1.00 0.00 H new ATOM 493 N LEU A 35 -2.657 3.958 -3.542 1.00 0.00 N ATOM 494 CA LEU A 35 -2.435 4.634 -2.268 1.00 0.00 C ATOM 495 C LEU A 35 -1.617 5.913 -2.463 1.00 0.00 C ATOM 496 O LEU A 35 -1.690 6.831 -1.645 1.00 0.00 O ATOM 497 CB LEU A 35 -1.726 3.699 -1.285 1.00 0.00 C ATOM 498 CG LEU A 35 -2.648 2.788 -0.467 1.00 0.00 C ATOM 499 CD1 LEU A 35 -3.626 2.049 -1.372 1.00 0.00 C ATOM 500 CD2 LEU A 35 -1.829 1.800 0.351 1.00 0.00 C ATOM 0 H LEU A 35 -2.248 3.025 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.406 4.908 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.027 3.075 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.135 4.303 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.224 3.413 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.269 1.409 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.238 2.771 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.072 1.437 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.499 1.161 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.226 1.186 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.175 2.345 1.031 1.00 0.00 H new ATOM 512 N VAL A 36 -0.841 5.971 -3.548 1.00 0.00 N ATOM 513 CA VAL A 36 -0.020 7.145 -3.837 1.00 0.00 C ATOM 514 C VAL A 36 -0.828 8.228 -4.556 1.00 0.00 C ATOM 515 O VAL A 36 -0.800 9.393 -4.160 1.00 0.00 O ATOM 516 CB VAL A 36 1.217 6.783 -4.690 1.00 0.00 C ATOM 517 CG1 VAL A 36 2.000 8.035 -5.065 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.108 5.798 -3.948 1.00 0.00 C ATOM 0 H VAL A 36 -0.765 5.222 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 36 0.318 7.530 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 36 0.871 6.310 -5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.866 7.756 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.361 8.705 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.334 8.540 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.974 5.555 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.443 6.244 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.547 4.888 -3.736 1.00 0.00 H new ATOM 528 N GLY A 37 -1.532 7.844 -5.624 1.00 0.00 N ATOM 529 CA GLY A 37 -2.319 8.812 -6.381 1.00 0.00 C ATOM 530 C GLY A 37 -3.471 8.206 -7.181 1.00 0.00 C ATOM 531 O GLY A 37 -4.469 8.883 -7.434 1.00 0.00 O ATOM 0 H GLY A 37 -1.572 6.888 -5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.723 9.552 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.658 9.343 -7.066 1.00 0.00 H new ATOM 535 N ALA A 38 -3.336 6.940 -7.591 1.00 0.00 N ATOM 536 CA ALA A 38 -4.373 6.264 -8.378 1.00 0.00 C ATOM 537 C ALA A 38 -5.675 6.056 -7.588 1.00 0.00 C ATOM 538 O ALA A 38 -6.675 5.606 -8.152 1.00 0.00 O ATOM 539 CB ALA A 38 -3.853 4.930 -8.899 1.00 0.00 C ATOM 0 H ALA A 38 -2.519 6.363 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.612 6.916 -9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.632 4.438 -9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.981 5.101 -9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.573 4.295 -8.058 1.00 0.00 H new ATOM 545 N HIS A 39 -5.669 6.389 -6.296 1.00 0.00 N ATOM 546 CA HIS A 39 -6.852 6.240 -5.463 1.00 0.00 C ATOM 547 C HIS A 39 -7.139 7.546 -4.727 1.00 0.00 C ATOM 548 O HIS A 39 -6.957 7.641 -3.510 1.00 0.00 O ATOM 549 CB HIS A 39 -6.667 5.089 -4.468 1.00 0.00 C ATOM 550 CG HIS A 39 -7.855 4.179 -4.365 1.00 0.00 C ATOM 551 ND1 HIS A 39 -7.744 2.808 -4.268 1.00 0.00 N ATOM 552 CD2 HIS A 39 -9.183 4.450 -4.336 1.00 0.00 C ATOM 553 CE1 HIS A 39 -8.950 2.275 -4.188 1.00 0.00 C ATOM 554 NE2 HIS A 39 -9.839 3.250 -4.225 1.00 0.00 N ATOM 0 H HIS A 39 -4.855 6.763 -5.808 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.704 6.004 -6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.797 4.503 -4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.453 5.504 -3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.639 5.427 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.171 1.221 -4.106 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.851 3.131 -4.179 1.00 0.00 H new ATOM 563 N PRO A 40 -7.592 8.578 -5.465 1.00 0.00 N ATOM 564 CA PRO A 40 -7.911 9.897 -4.895 1.00 0.00 C ATOM 565 C PRO A 40 -8.809 9.823 -3.656 1.00 0.00 C ATOM 566 O PRO A 40 -8.890 10.782 -2.892 1.00 0.00 O ATOM 567 CB PRO A 40 -8.638 10.597 -6.039 1.00 0.00 C ATOM 568 CG PRO A 40 -8.063 9.990 -7.267 1.00 0.00 C ATOM 569 CD PRO A 40 -7.824 8.547 -6.926 1.00 0.00 C ATOM 0 HA PRO A 40 -7.015 10.411 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.715 10.437 -5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.474 11.674 -6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.747 10.086 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.135 10.485 -7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.681 7.925 -7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.965 8.144 -7.462 1.00 0.00 H new ATOM 577 N ALA A 41 -9.473 8.679 -3.454 1.00 0.00 N ATOM 578 CA ALA A 41 -10.348 8.486 -2.300 1.00 0.00 C ATOM 579 C ALA A 41 -9.631 8.805 -0.982 1.00 0.00 C ATOM 580 O ALA A 41 -10.281 9.119 0.014 1.00 0.00 O ATOM 581 CB ALA A 41 -10.882 7.061 -2.275 1.00 0.00 C ATOM 0 H ALA A 41 -9.418 7.874 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.182 9.181 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.532 6.931 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.448 6.868 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.049 6.361 -2.211 1.00 0.00 H new ATOM 587 N LEU A 42 -8.297 8.722 -0.980 1.00 0.00 N ATOM 588 CA LEU A 42 -7.515 9.007 0.221 1.00 0.00 C ATOM 589 C LEU A 42 -6.910 10.417 0.184 1.00 0.00 C ATOM 590 O LEU A 42 -6.531 10.957 1.221 1.00 0.00 O ATOM 591 CB LEU A 42 -6.400 7.974 0.401 1.00 0.00 C ATOM 592 CG LEU A 42 -6.781 6.518 0.091 1.00 0.00 C ATOM 593 CD1 LEU A 42 -5.916 5.964 -1.034 1.00 0.00 C ATOM 594 CD2 LEU A 42 -6.651 5.651 1.337 1.00 0.00 C ATOM 0 H LEU A 42 -7.741 8.461 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.198 8.950 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.563 8.255 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.045 8.026 1.430 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.821 6.501 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.202 4.932 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.059 6.565 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.868 5.998 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.925 4.624 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.621 5.677 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.313 6.030 2.115 1.00 0.00 H new ATOM 606 N GLU A 43 -6.814 11.017 -1.005 1.00 0.00 N ATOM 607 CA GLU A 43 -6.251 12.362 -1.135 1.00 0.00 C ATOM 608 C GLU A 43 -7.341 13.394 -1.440 1.00 0.00 C ATOM 609 O GLU A 43 -8.118 13.229 -2.380 1.00 0.00 O ATOM 610 CB GLU A 43 -5.159 12.390 -2.219 1.00 0.00 C ATOM 611 CG GLU A 43 -5.687 12.346 -3.649 1.00 0.00 C ATOM 612 CD GLU A 43 -4.895 11.415 -4.560 1.00 0.00 C ATOM 613 OE1 GLU A 43 -4.291 10.446 -4.054 1.00 0.00 O ATOM 614 OE2 GLU A 43 -4.888 11.653 -5.786 1.00 0.00 O ATOM 0 H GLU A 43 -7.116 10.597 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.798 12.628 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.563 13.294 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.491 11.543 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.729 12.027 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.668 13.353 -4.066 1.00 0.00 H new ATOM 621 N SER A 44 -7.395 14.458 -0.635 1.00 0.00 N ATOM 622 CA SER A 44 -8.390 15.513 -0.821 1.00 0.00 C ATOM 623 C SER A 44 -7.977 16.462 -1.944 1.00 0.00 C ATOM 624 O SER A 44 -8.754 16.719 -2.865 1.00 0.00 O ATOM 625 CB SER A 44 -8.595 16.296 0.482 1.00 0.00 C ATOM 626 OG SER A 44 -9.392 15.566 1.399 1.00 0.00 O ATOM 0 H SER A 44 -6.762 14.610 0.150 1.00 0.00 H new ATOM 0 HA SER A 44 -9.332 15.040 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.627 16.517 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.071 17.252 0.264 1.00 0.00 H new ATOM 0 HG SER A 44 -9.033 15.676 2.304 1.00 0.00 H new ATOM 632 N ARG A 45 -6.751 16.983 -1.861 1.00 0.00 N ATOM 633 CA ARG A 45 -6.236 17.904 -2.872 1.00 0.00 C ATOM 634 C ARG A 45 -4.718 18.035 -2.774 1.00 0.00 C ATOM 635 O ARG A 45 -4.150 18.002 -1.681 1.00 0.00 O ATOM 636 CB ARG A 45 -6.891 19.280 -2.715 1.00 0.00 C ATOM 637 CG ARG A 45 -6.612 20.229 -3.873 1.00 0.00 C ATOM 638 CD ARG A 45 -7.746 20.228 -4.888 1.00 0.00 C ATOM 639 NE ARG A 45 -8.323 21.561 -5.066 1.00 0.00 N ATOM 640 CZ ARG A 45 -9.257 22.084 -4.269 1.00 0.00 C ATOM 641 NH1 ARG A 45 -9.737 21.389 -3.239 1.00 0.00 N ATOM 642 NH2 ARG A 45 -9.717 23.311 -4.500 1.00 0.00 N ATOM 0 H ARG A 45 -6.098 16.782 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.481 17.499 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.969 19.150 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.538 19.737 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.468 21.239 -3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.683 19.940 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.375 19.863 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.523 19.537 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.991 22.126 -5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.391 20.448 -3.053 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.451 21.798 -2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.356 23.851 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.431 23.711 -3.891 1.00 0.00 H new ATOM 656 N VAL A 46 -4.070 18.191 -3.925 1.00 0.00 N ATOM 657 CA VAL A 46 -2.617 18.332 -3.978 1.00 0.00 C ATOM 658 C VAL A 46 -2.165 19.012 -5.275 1.00 0.00 C ATOM 659 O VAL A 46 -1.270 19.859 -5.256 1.00 0.00 O ATOM 660 CB VAL A 46 -1.908 16.966 -3.832 1.00 0.00 C ATOM 661 CG1 VAL A 46 -2.286 16.024 -4.967 1.00 0.00 C ATOM 662 CG2 VAL A 46 -0.397 17.145 -3.758 1.00 0.00 C ATOM 0 H VAL A 46 -4.529 18.223 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.333 18.963 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.244 16.515 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.772 15.072 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.363 15.858 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.994 16.466 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.080 16.170 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.043 17.628 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.146 17.764 -2.897 1.00 0.00 H new ATOM 672 N PHE A 47 -2.782 18.625 -6.399 1.00 0.00 N ATOM 673 CA PHE A 47 -2.450 19.179 -7.714 1.00 0.00 C ATOM 674 C PHE A 47 -1.217 18.490 -8.282 1.00 0.00 C ATOM 675 O PHE A 47 -1.281 17.874 -9.347 1.00 0.00 O ATOM 676 CB PHE A 47 -2.235 20.699 -7.649 1.00 0.00 C ATOM 677 CG PHE A 47 -2.769 21.431 -8.847 1.00 0.00 C ATOM 678 CD1 PHE A 47 -2.098 21.390 -10.059 1.00 0.00 C ATOM 679 CD2 PHE A 47 -3.947 22.157 -8.763 1.00 0.00 C ATOM 680 CE1 PHE A 47 -2.590 22.062 -11.163 1.00 0.00 C ATOM 681 CE2 PHE A 47 -4.442 22.829 -9.863 1.00 0.00 C ATOM 682 CZ PHE A 47 -3.764 22.781 -11.064 1.00 0.00 C ATOM 0 H PHE A 47 -3.521 17.923 -6.421 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.295 18.994 -8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.716 21.088 -6.751 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.169 20.903 -7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.180 20.827 -10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.484 22.197 -7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.056 22.024 -12.101 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.360 23.392 -9.783 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.151 23.305 -11.925 1.00 0.00 H new ATOM 692 N GLY A 48 -0.103 18.572 -7.556 1.00 0.00 N ATOM 693 CA GLY A 48 1.117 17.925 -7.997 1.00 0.00 C ATOM 694 C GLY A 48 1.164 16.473 -7.563 1.00 0.00 C ATOM 695 O GLY A 48 2.090 16.061 -6.867 1.00 0.00 O ATOM 0 H GLY A 48 -0.026 19.075 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.189 17.984 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.979 18.455 -7.591 1.00 0.00 H new ATOM 699 N ASP A 49 0.153 15.699 -7.968 1.00 0.00 N ATOM 700 CA ASP A 49 0.074 14.284 -7.608 1.00 0.00 C ATOM 701 C ASP A 49 1.345 13.547 -8.025 1.00 0.00 C ATOM 702 O ASP A 49 1.939 12.820 -7.229 1.00 0.00 O ATOM 703 CB ASP A 49 -1.146 13.630 -8.262 1.00 0.00 C ATOM 704 CG ASP A 49 -2.357 13.606 -7.345 1.00 0.00 C ATOM 705 OD1 ASP A 49 -2.314 12.896 -6.317 1.00 0.00 O ATOM 706 OD2 ASP A 49 -3.347 14.299 -7.654 1.00 0.00 O ATOM 0 H ASP A 49 -0.621 16.030 -8.545 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.028 14.218 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.397 14.169 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.895 12.610 -8.553 1.00 0.00 H new ATOM 711 N ASP A 50 1.762 13.753 -9.275 1.00 0.00 N ATOM 712 CA ASP A 50 2.971 13.121 -9.795 1.00 0.00 C ATOM 713 C ASP A 50 4.225 13.825 -9.278 1.00 0.00 C ATOM 714 O ASP A 50 5.285 13.212 -9.166 1.00 0.00 O ATOM 715 CB ASP A 50 2.968 13.133 -11.326 1.00 0.00 C ATOM 716 CG ASP A 50 2.397 11.858 -11.921 1.00 0.00 C ATOM 717 OD1 ASP A 50 1.156 11.714 -11.940 1.00 0.00 O ATOM 718 OD2 ASP A 50 3.192 11.008 -12.373 1.00 0.00 O ATOM 0 H ASP A 50 1.279 14.353 -9.944 1.00 0.00 H new ATOM 0 HA ASP A 50 2.982 12.089 -9.445 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.386 13.985 -11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.987 13.272 -11.686 1.00 0.00 H new ATOM 723 N GLY A 51 4.100 15.119 -8.971 1.00 0.00 N ATOM 724 CA GLY A 51 5.236 15.879 -8.475 1.00 0.00 C ATOM 725 C GLY A 51 5.822 16.811 -9.520 1.00 0.00 C ATOM 726 O GLY A 51 6.180 17.949 -9.209 1.00 0.00 O ATOM 0 H GLY A 51 3.234 15.651 -9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.926 16.462 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.009 15.189 -8.136 1.00 0.00 H new ATOM 730 N GLU A 52 5.926 16.326 -10.762 1.00 0.00 N ATOM 731 CA GLU A 52 6.476 17.118 -11.862 1.00 0.00 C ATOM 732 C GLU A 52 7.915 17.562 -11.569 1.00 0.00 C ATOM 733 O GLU A 52 8.370 18.593 -12.073 1.00 0.00 O ATOM 734 CB GLU A 52 5.586 18.337 -12.135 1.00 0.00 C ATOM 735 CG GLU A 52 4.777 18.224 -13.418 1.00 0.00 C ATOM 736 CD GLU A 52 3.355 18.723 -13.257 1.00 0.00 C ATOM 737 OE1 GLU A 52 3.157 19.957 -13.231 1.00 0.00 O ATOM 738 OE2 GLU A 52 2.437 17.881 -13.156 1.00 0.00 O ATOM 0 H GLU A 52 5.635 15.386 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 52 6.497 16.487 -12.751 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.904 18.474 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.211 19.229 -12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.271 18.793 -14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.758 17.183 -13.741 1.00 0.00 H new ATOM 745 N LEU A 53 8.627 16.777 -10.756 1.00 0.00 N ATOM 746 CA LEU A 53 10.012 17.087 -10.399 1.00 0.00 C ATOM 747 C LEU A 53 10.621 15.966 -9.561 1.00 0.00 C ATOM 748 O LEU A 53 11.544 15.282 -10.006 1.00 0.00 O ATOM 749 CB LEU A 53 10.088 18.411 -9.628 1.00 0.00 C ATOM 750 CG LEU A 53 10.850 19.535 -10.335 1.00 0.00 C ATOM 751 CD1 LEU A 53 10.659 20.854 -9.601 1.00 0.00 C ATOM 752 CD2 LEU A 53 12.331 19.195 -10.445 1.00 0.00 C ATOM 0 H LEU A 53 8.266 15.922 -10.333 1.00 0.00 H new ATOM 0 HA LEU A 53 10.582 17.182 -11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.073 18.753 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.560 18.225 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 53 10.447 19.639 -11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.208 21.641 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.599 21.107 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.033 20.761 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.854 20.007 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.748 19.060 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.452 18.275 -11.016 1.00 0.00 H new ATOM 764 N TYR A 54 10.103 15.788 -8.346 1.00 0.00 N ATOM 765 CA TYR A 54 10.599 14.753 -7.441 1.00 0.00 C ATOM 766 C TYR A 54 9.452 13.919 -6.876 1.00 0.00 C ATOM 767 O TYR A 54 8.443 14.462 -6.418 1.00 0.00 O ATOM 768 CB TYR A 54 11.394 15.387 -6.296 1.00 0.00 C ATOM 769 CG TYR A 54 12.625 16.140 -6.748 1.00 0.00 C ATOM 770 CD1 TYR A 54 13.729 15.466 -7.254 1.00 0.00 C ATOM 771 CD2 TYR A 54 12.682 17.526 -6.669 1.00 0.00 C ATOM 772 CE1 TYR A 54 14.856 16.152 -7.666 1.00 0.00 C ATOM 773 CE2 TYR A 54 13.805 18.217 -7.079 1.00 0.00 C ATOM 774 CZ TYR A 54 14.889 17.527 -7.577 1.00 0.00 C ATOM 775 OH TYR A 54 16.010 18.214 -7.985 1.00 0.00 O ATOM 0 H TYR A 54 9.340 16.348 -7.966 1.00 0.00 H new ATOM 0 HA TYR A 54 11.253 14.094 -8.012 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.743 16.069 -5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.694 14.605 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.706 14.389 -7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.835 18.072 -6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.707 15.613 -8.056 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.834 19.294 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 54 15.869 19.175 -7.857 1.00 0.00 H new ATOM 785 N ASP A 55 9.616 12.597 -6.908 1.00 0.00 N ATOM 786 CA ASP A 55 8.600 11.683 -6.397 1.00 0.00 C ATOM 787 C ASP A 55 9.222 10.630 -5.481 1.00 0.00 C ATOM 788 O ASP A 55 10.018 9.800 -5.925 1.00 0.00 O ATOM 789 CB ASP A 55 7.864 11.000 -7.553 1.00 0.00 C ATOM 790 CG ASP A 55 6.558 10.358 -7.118 1.00 0.00 C ATOM 791 OD1 ASP A 55 6.582 9.534 -6.176 1.00 0.00 O ATOM 792 OD2 ASP A 55 5.512 10.677 -7.717 1.00 0.00 O ATOM 0 H ASP A 55 10.445 12.136 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 55 7.885 12.267 -5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.661 11.734 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.510 10.239 -7.991 1.00 0.00 H new ATOM 797 N HIS A 56 8.846 10.668 -4.205 1.00 0.00 N ATOM 798 CA HIS A 56 9.357 9.715 -3.225 1.00 0.00 C ATOM 799 C HIS A 56 8.221 9.155 -2.374 1.00 0.00 C ATOM 800 O HIS A 56 7.255 9.856 -2.079 1.00 0.00 O ATOM 801 CB HIS A 56 10.404 10.381 -2.328 1.00 0.00 C ATOM 802 CG HIS A 56 11.552 9.485 -1.977 1.00 0.00 C ATOM 803 ND1 HIS A 56 12.853 9.754 -2.345 1.00 0.00 N ATOM 804 CD2 HIS A 56 11.591 8.319 -1.288 1.00 0.00 C ATOM 805 CE1 HIS A 56 13.643 8.794 -1.896 1.00 0.00 C ATOM 806 NE2 HIS A 56 12.902 7.910 -1.251 1.00 0.00 N ATOM 0 H HIS A 56 8.189 11.349 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 56 9.826 8.892 -3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.788 11.269 -2.830 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.922 10.717 -1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.748 7.806 -0.849 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.713 8.741 -2.033 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.247 7.063 -0.800 1.00 0.00 H new ATOM 815 N ILE A 57 8.346 7.888 -1.984 1.00 0.00 N ATOM 816 CA ILE A 57 7.331 7.228 -1.163 1.00 0.00 C ATOM 817 C ILE A 57 7.960 6.155 -0.279 1.00 0.00 C ATOM 818 O ILE A 57 8.427 5.125 -0.771 1.00 0.00 O ATOM 819 CB ILE A 57 6.220 6.588 -2.027 1.00 0.00 C ATOM 820 CG1 ILE A 57 6.824 5.786 -3.186 1.00 0.00 C ATOM 821 CG2 ILE A 57 5.272 7.656 -2.552 1.00 0.00 C ATOM 822 CD1 ILE A 57 6.089 4.497 -3.478 1.00 0.00 C ATOM 0 H ILE A 57 9.142 7.296 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 57 6.882 7.999 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 57 5.653 5.901 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.825 6.405 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.864 5.557 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.496 7.188 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.812 8.178 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.828 8.368 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.572 3.983 -4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.110 3.858 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.055 4.719 -3.741 1.00 0.00 H new ATOM 834 N ASN A 58 7.975 6.405 1.028 1.00 0.00 N ATOM 835 CA ASN A 58 8.551 5.462 1.982 1.00 0.00 C ATOM 836 C ASN A 58 7.647 4.243 2.157 1.00 0.00 C ATOM 837 O ASN A 58 6.423 4.365 2.212 1.00 0.00 O ATOM 838 CB ASN A 58 8.788 6.146 3.329 1.00 0.00 C ATOM 839 CG ASN A 58 10.118 6.879 3.380 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.448 7.650 2.478 1.00 0.00 O ATOM 841 ND2 ASN A 58 10.888 6.643 4.437 1.00 0.00 N ATOM 0 H ASN A 58 7.595 7.252 1.450 1.00 0.00 H new ATOM 0 HA ASN A 58 9.509 5.122 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.980 6.851 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.757 5.400 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.791 7.108 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.576 5.996 5.161 1.00 0.00 H new ATOM 848 N VAL A 59 8.264 3.066 2.233 1.00 0.00 N ATOM 849 CA VAL A 59 7.525 1.817 2.388 1.00 0.00 C ATOM 850 C VAL A 59 8.221 0.875 3.372 1.00 0.00 C ATOM 851 O VAL A 59 9.443 0.917 3.530 1.00 0.00 O ATOM 852 CB VAL A 59 7.357 1.107 1.026 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.709 0.706 0.455 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.444 -0.105 1.151 1.00 0.00 C ATOM 0 H VAL A 59 9.277 2.952 2.190 1.00 0.00 H new ATOM 0 HA VAL A 59 6.542 2.070 2.785 1.00 0.00 H new ATOM 0 HB VAL A 59 6.891 1.811 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.566 0.208 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.323 1.596 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.209 0.027 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.343 -0.586 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.872 -0.811 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.462 0.214 1.502 1.00 0.00 H new ATOM 864 N LEU A 60 7.433 0.026 4.026 1.00 0.00 N ATOM 865 CA LEU A 60 7.957 -0.932 4.992 1.00 0.00 C ATOM 866 C LEU A 60 7.792 -2.362 4.485 1.00 0.00 C ATOM 867 O LEU A 60 6.706 -2.756 4.057 1.00 0.00 O ATOM 868 CB LEU A 60 7.244 -0.772 6.340 1.00 0.00 C ATOM 869 CG LEU A 60 8.104 -1.038 7.579 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.670 -2.452 7.556 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.225 -0.014 7.683 1.00 0.00 C ATOM 0 H LEU A 60 6.421 -0.017 3.902 1.00 0.00 H new ATOM 0 HA LEU A 60 9.020 -0.732 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.850 0.242 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.389 -1.448 6.361 1.00 0.00 H new ATOM 0 HG LEU A 60 7.468 -0.943 8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.277 -2.616 8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.851 -3.171 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.287 -2.582 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.825 -0.220 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.856 -0.074 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.798 0.986 7.758 1.00 0.00 H new ATOM 883 N ARG A 61 8.876 -3.137 4.542 1.00 0.00 N ATOM 884 CA ARG A 61 8.853 -4.528 4.096 1.00 0.00 C ATOM 885 C ARG A 61 9.100 -5.471 5.272 1.00 0.00 C ATOM 886 O ARG A 61 9.862 -5.151 6.184 1.00 0.00 O ATOM 887 CB ARG A 61 9.911 -4.753 3.010 1.00 0.00 C ATOM 888 CG ARG A 61 9.325 -5.097 1.649 1.00 0.00 C ATOM 889 CD ARG A 61 10.244 -4.665 0.517 1.00 0.00 C ATOM 890 NE ARG A 61 10.456 -3.216 0.504 1.00 0.00 N ATOM 891 CZ ARG A 61 11.461 -2.612 -0.137 1.00 0.00 C ATOM 892 NH1 ARG A 61 12.339 -3.324 -0.840 1.00 0.00 N ATOM 893 NH2 ARG A 61 11.588 -1.292 -0.077 1.00 0.00 N ATOM 0 H ARG A 61 9.781 -2.823 4.893 1.00 0.00 H new ATOM 0 HA ARG A 61 7.868 -4.741 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.520 -3.854 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.576 -5.558 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.152 -6.171 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.356 -4.611 1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.204 -5.171 0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.817 -4.977 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 61 9.795 -2.631 1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.248 -4.339 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.103 -2.855 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.919 -0.739 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.355 -0.831 -0.566 1.00 0.00 H new ATOM 907 N ASN A 62 8.454 -6.637 5.243 1.00 0.00 N ATOM 908 CA ASN A 62 8.607 -7.628 6.309 1.00 0.00 C ATOM 909 C ASN A 62 9.765 -8.598 6.021 1.00 0.00 C ATOM 910 O ASN A 62 9.874 -9.651 6.651 1.00 0.00 O ATOM 911 CB ASN A 62 7.296 -8.403 6.495 1.00 0.00 C ATOM 912 CG ASN A 62 7.295 -9.276 7.738 1.00 0.00 C ATOM 913 OD1 ASN A 62 7.032 -10.477 7.664 1.00 0.00 O ATOM 914 ND2 ASN A 62 7.585 -8.680 8.891 1.00 0.00 N ATOM 0 H ASN A 62 7.821 -6.918 4.494 1.00 0.00 H new ATOM 0 HA ASN A 62 8.846 -7.096 7.230 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.468 -7.697 6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.122 -9.027 5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.595 -9.220 9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.797 -7.683 8.910 1.00 0.00 H new ATOM 921 N GLY A 63 10.633 -8.234 5.070 1.00 0.00 N ATOM 922 CA GLY A 63 11.762 -9.082 4.725 1.00 0.00 C ATOM 923 C GLY A 63 11.501 -9.931 3.490 1.00 0.00 C ATOM 924 O GLY A 63 12.128 -10.976 3.309 1.00 0.00 O ATOM 0 H GLY A 63 10.571 -7.367 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.640 -8.459 4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.992 -9.734 5.567 1.00 0.00 H new ATOM 928 N GLU A 64 10.571 -9.486 2.645 1.00 0.00 N ATOM 929 CA GLU A 64 10.224 -10.207 1.426 1.00 0.00 C ATOM 930 C GLU A 64 10.576 -9.388 0.188 1.00 0.00 C ATOM 931 O GLU A 64 10.788 -8.175 0.274 1.00 0.00 O ATOM 932 CB GLU A 64 8.730 -10.538 1.424 1.00 0.00 C ATOM 933 CG GLU A 64 8.404 -11.909 0.853 1.00 0.00 C ATOM 934 CD GLU A 64 8.645 -13.029 1.847 1.00 0.00 C ATOM 935 OE1 GLU A 64 7.754 -13.282 2.684 1.00 0.00 O ATOM 936 OE2 GLU A 64 9.726 -13.653 1.786 1.00 0.00 O ATOM 0 H GLU A 64 10.043 -8.625 2.786 1.00 0.00 H new ATOM 0 HA GLU A 64 10.800 -11.132 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.354 -10.482 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.201 -9.780 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.361 -11.928 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.010 -12.081 -0.036 1.00 0.00 H new ATOM 943 N ALA A 65 10.628 -10.053 -0.966 1.00 0.00 N ATOM 944 CA ALA A 65 10.944 -9.388 -2.223 1.00 0.00 C ATOM 945 C ALA A 65 9.853 -8.387 -2.585 1.00 0.00 C ATOM 946 O ALA A 65 8.669 -8.727 -2.608 1.00 0.00 O ATOM 947 CB ALA A 65 11.121 -10.409 -3.340 1.00 0.00 C ATOM 0 H ALA A 65 10.454 -11.054 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 65 11.883 -8.848 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.356 -9.893 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.934 -11.089 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.199 -10.977 -3.463 1.00 0.00 H new ATOM 953 N ALA A 66 10.259 -7.149 -2.860 1.00 0.00 N ATOM 954 CA ALA A 66 9.314 -6.092 -3.214 1.00 0.00 C ATOM 955 C ALA A 66 8.524 -6.454 -4.467 1.00 0.00 C ATOM 956 O ALA A 66 8.979 -6.229 -5.589 1.00 0.00 O ATOM 957 CB ALA A 66 10.040 -4.767 -3.410 1.00 0.00 C ATOM 0 H ALA A 66 11.235 -6.853 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 66 8.609 -5.986 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.319 -3.993 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.549 -4.491 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.772 -4.868 -4.211 1.00 0.00 H new ATOM 963 N ALA A 67 7.335 -7.020 -4.265 1.00 0.00 N ATOM 964 CA ALA A 67 6.477 -7.412 -5.376 1.00 0.00 C ATOM 965 C ALA A 67 5.856 -6.188 -6.044 1.00 0.00 C ATOM 966 O ALA A 67 6.025 -5.060 -5.577 1.00 0.00 O ATOM 967 CB ALA A 67 5.392 -8.366 -4.894 1.00 0.00 C ATOM 0 H ALA A 67 6.947 -7.216 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 67 7.090 -7.926 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.758 -8.651 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.854 -9.257 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.786 -7.874 -4.133 1.00 0.00 H new ATOM 973 N LEU A 68 5.139 -6.414 -7.142 1.00 0.00 N ATOM 974 CA LEU A 68 4.498 -5.329 -7.875 1.00 0.00 C ATOM 975 C LEU A 68 3.434 -5.869 -8.828 1.00 0.00 C ATOM 976 O LEU A 68 2.258 -5.520 -8.718 1.00 0.00 O ATOM 977 CB LEU A 68 5.545 -4.522 -8.646 1.00 0.00 C ATOM 978 CG LEU A 68 5.091 -3.142 -9.131 1.00 0.00 C ATOM 979 CD1 LEU A 68 6.284 -2.329 -9.608 1.00 0.00 C ATOM 980 CD2 LEU A 68 4.057 -3.274 -10.244 1.00 0.00 C ATOM 0 H LEU A 68 4.988 -7.340 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 68 4.007 -4.673 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.420 -4.394 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.863 -5.105 -9.511 1.00 0.00 H new ATOM 0 HG LEU A 68 4.627 -2.620 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.945 -1.351 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.989 -2.202 -8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.774 -2.850 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.748 -2.282 -10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.493 -3.816 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.189 -3.819 -9.872 1.00 0.00 H new ATOM 992 N GLY A 69 3.855 -6.728 -9.760 1.00 0.00 N ATOM 993 CA GLY A 69 2.925 -7.307 -10.718 1.00 0.00 C ATOM 994 C GLY A 69 2.432 -8.685 -10.305 1.00 0.00 C ATOM 995 O GLY A 69 2.009 -9.474 -11.152 1.00 0.00 O ATOM 0 H GLY A 69 4.823 -7.032 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.070 -6.641 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.410 -7.377 -11.691 1.00 0.00 H new ATOM 999 N GLU A 70 2.481 -8.975 -9.004 1.00 0.00 N ATOM 1000 CA GLU A 70 2.034 -10.263 -8.485 1.00 0.00 C ATOM 1001 C GLU A 70 2.027 -10.259 -6.957 1.00 0.00 C ATOM 1002 O GLU A 70 3.014 -10.631 -6.320 1.00 0.00 O ATOM 1003 CB GLU A 70 2.928 -11.396 -9.009 1.00 0.00 C ATOM 1004 CG GLU A 70 4.415 -11.095 -8.923 1.00 0.00 C ATOM 1005 CD GLU A 70 5.258 -12.101 -9.683 1.00 0.00 C ATOM 1006 OE1 GLU A 70 5.354 -11.978 -10.922 1.00 0.00 O ATOM 1007 OE2 GLU A 70 5.818 -13.012 -9.039 1.00 0.00 O ATOM 0 H GLU A 70 2.827 -8.332 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 70 1.015 -10.433 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.717 -12.303 -8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.668 -11.600 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.603 -10.097 -9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.721 -11.087 -7.877 1.00 0.00 H new ATOM 1014 N ALA A 71 0.903 -9.844 -6.375 1.00 0.00 N ATOM 1015 CA ALA A 71 0.760 -9.800 -4.920 1.00 0.00 C ATOM 1016 C ALA A 71 0.536 -11.198 -4.334 1.00 0.00 C ATOM 1017 O ALA A 71 0.528 -11.367 -3.114 1.00 0.00 O ATOM 1018 CB ALA A 71 -0.392 -8.886 -4.529 1.00 0.00 C ATOM 0 H ALA A 71 0.078 -9.533 -6.888 1.00 0.00 H new ATOM 0 HA ALA A 71 1.690 -9.406 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.486 -8.863 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.198 -7.879 -4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.318 -9.260 -4.966 1.00 0.00 H new ATOM 1024 N THR A 72 0.360 -12.195 -5.205 1.00 0.00 N ATOM 1025 CA THR A 72 0.143 -13.567 -4.765 1.00 0.00 C ATOM 1026 C THR A 72 1.469 -14.338 -4.659 1.00 0.00 C ATOM 1027 O THR A 72 1.472 -15.560 -4.498 1.00 0.00 O ATOM 1028 CB THR A 72 -0.817 -14.275 -5.730 1.00 0.00 C ATOM 1029 OG1 THR A 72 -1.146 -15.570 -5.258 1.00 0.00 O ATOM 1030 CG2 THR A 72 -0.268 -14.422 -7.136 1.00 0.00 C ATOM 0 H THR A 72 0.364 -12.073 -6.218 1.00 0.00 H new ATOM 0 HA THR A 72 -0.302 -13.542 -3.770 1.00 0.00 H new ATOM 0 HB THR A 72 -1.698 -13.634 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.338 -16.011 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.001 -14.931 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.060 -13.436 -7.550 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.653 -15.005 -7.108 1.00 0.00 H new ATOM 1038 N ALA A 73 2.594 -13.620 -4.742 1.00 0.00 N ATOM 1039 CA ALA A 73 3.907 -14.245 -4.649 1.00 0.00 C ATOM 1040 C ALA A 73 4.748 -13.606 -3.547 1.00 0.00 C ATOM 1041 O ALA A 73 4.838 -12.381 -3.457 1.00 0.00 O ATOM 1042 CB ALA A 73 4.631 -14.160 -5.984 1.00 0.00 C ATOM 0 H ALA A 73 2.616 -12.609 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 73 3.761 -15.295 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.610 -14.631 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.047 -14.674 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.755 -13.114 -6.265 1.00 0.00 H new ATOM 1048 N ALA A 74 5.362 -14.454 -2.715 1.00 0.00 N ATOM 1049 CA ALA A 74 6.206 -13.998 -1.608 1.00 0.00 C ATOM 1050 C ALA A 74 5.399 -13.234 -0.555 1.00 0.00 C ATOM 1051 O ALA A 74 5.102 -13.768 0.517 1.00 0.00 O ATOM 1052 CB ALA A 74 7.360 -13.146 -2.125 1.00 0.00 C ATOM 0 H ALA A 74 5.288 -15.469 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 74 6.617 -14.884 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.974 -12.818 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.968 -13.735 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.964 -12.275 -2.647 1.00 0.00 H new ATOM 1058 N GLY A 75 5.051 -11.987 -0.866 1.00 0.00 N ATOM 1059 CA GLY A 75 4.286 -11.169 0.061 1.00 0.00 C ATOM 1060 C GLY A 75 4.105 -9.745 -0.435 1.00 0.00 C ATOM 1061 O GLY A 75 4.799 -9.311 -1.355 1.00 0.00 O ATOM 0 H GLY A 75 5.286 -11.528 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.308 -11.623 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.790 -11.153 1.028 1.00 0.00 H new ATOM 1065 N ASP A 76 3.170 -9.015 0.174 1.00 0.00 N ATOM 1066 CA ASP A 76 2.902 -7.635 -0.216 1.00 0.00 C ATOM 1067 C ASP A 76 3.899 -6.681 0.443 1.00 0.00 C ATOM 1068 O ASP A 76 4.900 -6.300 -0.167 1.00 0.00 O ATOM 1069 CB ASP A 76 1.468 -7.242 0.152 1.00 0.00 C ATOM 1070 CG ASP A 76 0.440 -7.874 -0.765 1.00 0.00 C ATOM 1071 OD1 ASP A 76 0.145 -7.285 -1.826 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -0.077 -8.957 -0.418 1.00 0.00 O ATOM 0 H ASP A 76 2.588 -9.358 0.938 1.00 0.00 H new ATOM 0 HA ASP A 76 3.018 -7.560 -1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.265 -7.541 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.370 -6.157 0.110 1.00 0.00 H new ATOM 1077 N GLU A 77 3.620 -6.297 1.686 1.00 0.00 N ATOM 1078 CA GLU A 77 4.491 -5.389 2.427 1.00 0.00 C ATOM 1079 C GLU A 77 4.090 -5.331 3.901 1.00 0.00 C ATOM 1080 O GLU A 77 3.275 -6.132 4.364 1.00 0.00 O ATOM 1081 CB GLU A 77 4.438 -3.985 1.803 1.00 0.00 C ATOM 1082 CG GLU A 77 3.034 -3.401 1.733 1.00 0.00 C ATOM 1083 CD GLU A 77 3.013 -1.886 1.847 1.00 0.00 C ATOM 1084 OE1 GLU A 77 3.617 -1.215 0.983 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.377 -1.373 2.790 1.00 0.00 O ATOM 0 H GLU A 77 2.795 -6.602 2.203 1.00 0.00 H new ATOM 0 HA GLU A 77 5.512 -5.766 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.073 -3.315 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.855 -4.028 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.571 -3.695 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.429 -3.828 2.533 1.00 0.00 H new ATOM 1092 N LEU A 78 4.664 -4.376 4.628 1.00 0.00 N ATOM 1093 CA LEU A 78 4.366 -4.199 6.044 1.00 0.00 C ATOM 1094 C LEU A 78 3.574 -2.911 6.262 1.00 0.00 C ATOM 1095 O LEU A 78 2.568 -2.903 6.973 1.00 0.00 O ATOM 1096 CB LEU A 78 5.661 -4.162 6.862 1.00 0.00 C ATOM 1097 CG LEU A 78 5.645 -5.006 8.139 1.00 0.00 C ATOM 1098 CD1 LEU A 78 7.043 -5.106 8.731 1.00 0.00 C ATOM 1099 CD2 LEU A 78 4.674 -4.421 9.155 1.00 0.00 C ATOM 0 H LEU A 78 5.341 -3.710 4.256 1.00 0.00 H new ATOM 0 HA LEU A 78 3.764 -5.044 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.482 -4.502 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.873 -3.127 7.131 1.00 0.00 H new ATOM 0 HG LEU A 78 5.308 -6.010 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.012 -5.710 9.638 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.712 -5.572 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.408 -4.108 8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.677 -5.035 10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.979 -3.405 9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.670 -4.404 8.731 1.00 0.00 H new ATOM 1111 N ALA A 79 4.035 -1.823 5.639 1.00 0.00 N ATOM 1112 CA ALA A 79 3.375 -0.527 5.756 1.00 0.00 C ATOM 1113 C ALA A 79 3.721 0.371 4.565 1.00 0.00 C ATOM 1114 O ALA A 79 4.662 0.091 3.821 1.00 0.00 O ATOM 1115 CB ALA A 79 3.769 0.144 7.064 1.00 0.00 C ATOM 0 H ALA A 79 4.866 -1.818 5.047 1.00 0.00 H new ATOM 0 HA ALA A 79 2.297 -0.687 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.271 1.111 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.470 -0.487 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.849 0.289 7.087 1.00 0.00 H new ATOM 1121 N LEU A 80 2.951 1.445 4.382 1.00 0.00 N ATOM 1122 CA LEU A 80 3.172 2.377 3.273 1.00 0.00 C ATOM 1123 C LEU A 80 2.862 3.816 3.694 1.00 0.00 C ATOM 1124 O LEU A 80 1.704 4.237 3.700 1.00 0.00 O ATOM 1125 CB LEU A 80 2.302 1.979 2.070 1.00 0.00 C ATOM 1126 CG LEU A 80 2.508 2.813 0.800 1.00 0.00 C ATOM 1127 CD1 LEU A 80 3.913 2.615 0.251 1.00 0.00 C ATOM 1128 CD2 LEU A 80 1.471 2.446 -0.253 1.00 0.00 C ATOM 0 H LEU A 80 2.168 1.692 4.987 1.00 0.00 H new ATOM 0 HA LEU A 80 4.223 2.326 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.498 0.933 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.254 2.048 2.363 1.00 0.00 H new ATOM 0 HG LEU A 80 2.384 3.865 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.039 3.215 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.643 2.925 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.065 1.563 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.632 3.048 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.566 1.390 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.472 2.638 0.138 1.00 0.00 H new ATOM 1140 N PHE A 81 3.904 4.568 4.049 1.00 0.00 N ATOM 1141 CA PHE A 81 3.733 5.958 4.471 1.00 0.00 C ATOM 1142 C PHE A 81 4.412 6.920 3.495 1.00 0.00 C ATOM 1143 O PHE A 81 5.592 6.766 3.180 1.00 0.00 O ATOM 1144 CB PHE A 81 4.297 6.161 5.881 1.00 0.00 C ATOM 1145 CG PHE A 81 3.612 5.331 6.933 1.00 0.00 C ATOM 1146 CD1 PHE A 81 2.248 5.442 7.145 1.00 0.00 C ATOM 1147 CD2 PHE A 81 4.337 4.439 7.708 1.00 0.00 C ATOM 1148 CE1 PHE A 81 1.618 4.681 8.112 1.00 0.00 C ATOM 1149 CE2 PHE A 81 3.712 3.676 8.677 1.00 0.00 C ATOM 1150 CZ PHE A 81 2.352 3.797 8.878 1.00 0.00 C ATOM 0 H PHE A 81 4.870 4.240 4.053 1.00 0.00 H new ATOM 0 HA PHE A 81 2.665 6.175 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.360 5.919 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.211 7.214 6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.670 6.131 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.401 4.339 7.553 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.554 4.778 8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.288 2.986 9.276 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.862 3.201 9.634 1.00 0.00 H new ATOM 1160 N PRO A 82 3.665 7.933 3.004 1.00 0.00 N ATOM 1161 CA PRO A 82 4.194 8.930 2.058 1.00 0.00 C ATOM 1162 C PRO A 82 5.412 9.677 2.609 1.00 0.00 C ATOM 1163 O PRO A 82 5.768 9.524 3.779 1.00 0.00 O ATOM 1164 CB PRO A 82 3.023 9.901 1.863 1.00 0.00 C ATOM 1165 CG PRO A 82 1.811 9.127 2.249 1.00 0.00 C ATOM 1166 CD PRO A 82 2.250 8.186 3.331 1.00 0.00 C ATOM 0 HA PRO A 82 4.539 8.462 1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.139 10.789 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.961 10.242 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.022 9.789 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.409 8.581 1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.139 8.630 4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.665 7.266 3.327 1.00 0.00 H new ATOM 1174 N PRO A 83 6.068 10.502 1.769 1.00 0.00 N ATOM 1175 CA PRO A 83 7.247 11.277 2.178 1.00 0.00 C ATOM 1176 C PRO A 83 6.884 12.442 3.098 1.00 0.00 C ATOM 1177 O PRO A 83 5.734 12.578 3.521 1.00 0.00 O ATOM 1178 CB PRO A 83 7.801 11.794 0.849 1.00 0.00 C ATOM 1179 CG PRO A 83 6.607 11.896 -0.033 1.00 0.00 C ATOM 1180 CD PRO A 83 5.712 10.751 0.357 1.00 0.00 C ATOM 0 HA PRO A 83 7.957 10.678 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.289 12.761 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.544 11.112 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.101 12.852 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.890 11.831 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.659 11.009 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.890 9.873 -0.263 1.00 0.00 H new ATOM 1188 N VAL A 84 7.870 13.284 3.402 1.00 0.00 N ATOM 1189 CA VAL A 84 7.653 14.436 4.266 1.00 0.00 C ATOM 1190 C VAL A 84 7.386 15.694 3.444 1.00 0.00 C ATOM 1191 O VAL A 84 8.313 16.319 2.926 1.00 0.00 O ATOM 1192 CB VAL A 84 8.860 14.683 5.196 1.00 0.00 C ATOM 1193 CG1 VAL A 84 8.533 15.746 6.233 1.00 0.00 C ATOM 1194 CG2 VAL A 84 9.291 13.385 5.868 1.00 0.00 C ATOM 0 H VAL A 84 8.826 13.187 3.061 1.00 0.00 H new ATOM 0 HA VAL A 84 6.779 14.213 4.878 1.00 0.00 H new ATOM 0 HB VAL A 84 9.690 15.047 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.398 15.904 6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.280 16.679 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.686 15.418 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.143 13.578 6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.465 12.989 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.574 12.658 5.107 1.00 0.00 H new ATOM 1204 N SER A 85 6.108 16.058 3.327 1.00 0.00 N ATOM 1205 CA SER A 85 5.712 17.240 2.567 1.00 0.00 C ATOM 1206 C SER A 85 6.004 18.517 3.353 1.00 0.00 C ATOM 1207 O SER A 85 5.208 18.933 4.199 1.00 0.00 O ATOM 1208 CB SER A 85 4.225 17.174 2.210 1.00 0.00 C ATOM 1209 OG SER A 85 3.982 17.738 0.934 1.00 0.00 O ATOM 0 H SER A 85 5.331 15.550 3.750 1.00 0.00 H new ATOM 0 HA SER A 85 6.296 17.259 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.890 16.137 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.643 17.706 2.963 1.00 0.00 H new ATOM 0 HG SER A 85 3.025 17.682 0.728 1.00 0.00 H new ATOM 1215 N GLY A 86 7.150 19.131 3.067 1.00 0.00 N ATOM 1216 CA GLY A 86 7.532 20.355 3.750 1.00 0.00 C ATOM 1217 C GLY A 86 8.649 21.093 3.037 1.00 0.00 C ATOM 1218 O GLY A 86 9.705 21.343 3.620 1.00 0.00 O ATOM 0 H GLY A 86 7.821 18.802 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.663 21.008 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.848 20.117 4.766 1.00 0.00 H new ATOM 1222 N GLY A 87 8.414 21.442 1.773 1.00 0.00 N ATOM 1223 CA GLY A 87 9.414 22.152 0.991 1.00 0.00 C ATOM 1224 C GLY A 87 9.258 21.937 -0.505 1.00 0.00 C ATOM 1225 O GLY A 87 9.803 22.750 -1.279 1.00 0.00 O ATOM 0 H GLY A 87 7.546 21.245 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.348 23.218 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.407 21.825 1.298 1.00 0.00 H new TER 1229 GLY A 87