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 -151:sc= -0.28 (180deg=-1.45!) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0 (180deg=-0.208) 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 11:sc= 0.736 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 39 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-0.99) USER MOD Single : A 44 SER OG : rot 180:sc= 0 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= -0.269 K(o=-0.27,f=-2.7!) USER MOD Single : A 62 ASN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc=2.27e-05 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.319 -9.224 3.786 1.00 0.00 N ATOM 2 CA MET A 1 1.032 -9.226 3.032 1.00 0.00 C ATOM 3 C MET A 1 0.020 -8.251 3.647 1.00 0.00 C ATOM 4 O MET A 1 -1.160 -8.576 3.799 1.00 0.00 O ATOM 5 CB MET A 1 0.471 -10.656 3.024 1.00 0.00 C ATOM 6 CG MET A 1 0.120 -11.193 4.407 1.00 0.00 C ATOM 7 SD MET A 1 0.956 -12.745 4.789 1.00 0.00 S ATOM 8 CE MET A 1 0.595 -13.706 3.321 1.00 0.00 C ATOM 0 H1 MET A 1 2.859 -10.082 3.553 1.00 0.00 H new ATOM 0 H2 MET A 1 2.874 -8.384 3.524 1.00 0.00 H new ATOM 0 H3 MET A 1 2.123 -9.205 4.807 1.00 0.00 H new ATOM 0 HA MET A 1 1.216 -8.893 2.011 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.421 -10.682 2.399 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.203 -11.320 2.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.385 -10.449 5.158 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.958 -11.341 4.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.566 -14.765 3.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.371 -13.404 2.917 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.370 -13.534 2.574 1.00 0.00 H new ATOM 20 N GLU A 2 0.493 -7.055 4.002 1.00 0.00 N ATOM 21 CA GLU A 2 -0.363 -6.031 4.602 1.00 0.00 C ATOM 22 C GLU A 2 0.083 -4.630 4.190 1.00 0.00 C ATOM 23 O GLU A 2 1.186 -4.449 3.668 1.00 0.00 O ATOM 24 CB GLU A 2 -0.350 -6.138 6.132 1.00 0.00 C ATOM 25 CG GLU A 2 -0.257 -7.562 6.661 1.00 0.00 C ATOM 26 CD GLU A 2 -0.059 -7.609 8.163 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.010 -7.266 8.898 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.044 -7.987 8.606 1.00 0.00 O ATOM 0 H GLU A 2 1.466 -6.772 3.884 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.377 -6.200 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.493 -5.564 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.256 -5.676 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.166 -8.104 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.571 -8.075 6.172 1.00 0.00 H new ATOM 35 N TRP A 3 -0.779 -3.641 4.436 1.00 0.00 N ATOM 36 CA TRP A 3 -0.474 -2.254 4.100 1.00 0.00 C ATOM 37 C TRP A 3 -1.186 -1.290 5.050 1.00 0.00 C ATOM 38 O TRP A 3 -2.357 -1.480 5.383 1.00 0.00 O ATOM 39 CB TRP A 3 -0.877 -1.954 2.650 1.00 0.00 C ATOM 40 CG TRP A 3 0.170 -1.206 1.877 1.00 0.00 C ATOM 41 CD1 TRP A 3 1.225 -0.504 2.389 1.00 0.00 C ATOM 42 CD2 TRP A 3 0.264 -1.082 0.451 1.00 0.00 C ATOM 43 NE1 TRP A 3 1.970 0.039 1.373 1.00 0.00 N ATOM 44 CE2 TRP A 3 1.400 -0.299 0.174 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.499 -1.562 -0.619 1.00 0.00 C ATOM 46 CZ2 TRP A 3 1.789 0.018 -1.123 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.111 -1.246 -1.908 1.00 0.00 C ATOM 48 CH2 TRP A 3 1.024 -0.464 -2.149 1.00 0.00 C ATOM 0 H TRP A 3 -1.693 -3.778 4.867 1.00 0.00 H new ATOM 0 HA TRP A 3 0.601 -2.111 4.207 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.092 -2.893 2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.800 -1.374 2.651 1.00 0.00 H new ATOM 0 HD1 TRP A 3 1.441 -0.393 3.441 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.812 0.603 1.491 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.375 -2.168 -0.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.663 0.623 -1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.693 -1.609 -2.742 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.302 -0.236 -3.167 1.00 0.00 H new ATOM 59 N LYS A 4 -0.467 -0.253 5.480 1.00 0.00 N ATOM 60 CA LYS A 4 -1.020 0.752 6.387 1.00 0.00 C ATOM 61 C LYS A 4 -0.646 2.154 5.907 1.00 0.00 C ATOM 62 O LYS A 4 0.409 2.345 5.306 1.00 0.00 O ATOM 63 CB LYS A 4 -0.502 0.530 7.811 1.00 0.00 C ATOM 64 CG LYS A 4 -1.424 -0.320 8.673 1.00 0.00 C ATOM 65 CD LYS A 4 -0.751 -0.731 9.976 1.00 0.00 C ATOM 66 CE LYS A 4 -1.361 -2.003 10.545 1.00 0.00 C ATOM 67 NZ LYS A 4 -0.801 -2.339 11.884 1.00 0.00 N ATOM 0 H LYS A 4 0.503 -0.087 5.213 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.106 0.656 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.477 0.053 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.361 1.498 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.334 0.238 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.722 -1.211 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.314 -0.883 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.844 0.075 10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.442 -1.883 10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.181 -2.830 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.243 -3.212 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.227 -2.479 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.995 -1.561 12.547 1.00 0.00 H new ATOM 81 N LEU A 5 -1.512 3.131 6.169 1.00 0.00 N ATOM 82 CA LEU A 5 -1.253 4.508 5.752 1.00 0.00 C ATOM 83 C LEU A 5 -1.468 5.486 6.906 1.00 0.00 C ATOM 84 O LEU A 5 -2.258 5.225 7.813 1.00 0.00 O ATOM 85 CB LEU A 5 -2.155 4.889 4.573 1.00 0.00 C ATOM 86 CG LEU A 5 -1.541 4.680 3.186 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.206 5.403 3.073 1.00 0.00 C ATOM 88 CD2 LEU A 5 -1.372 3.195 2.892 1.00 0.00 C ATOM 0 H LEU A 5 -2.393 2.997 6.665 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.210 4.569 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.074 4.307 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.434 5.938 4.674 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.221 5.101 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.213 5.241 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.356 6.471 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.482 5.016 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.934 3.068 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.716 2.749 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.345 2.705 2.924 1.00 0.00 H new ATOM 100 N PHE A 6 -0.759 6.613 6.857 1.00 0.00 N ATOM 101 CA PHE A 6 -0.863 7.640 7.893 1.00 0.00 C ATOM 102 C PHE A 6 -1.892 8.706 7.509 1.00 0.00 C ATOM 103 O PHE A 6 -2.575 8.586 6.489 1.00 0.00 O ATOM 104 CB PHE A 6 0.505 8.293 8.130 1.00 0.00 C ATOM 105 CG PHE A 6 1.193 7.823 9.382 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.505 7.745 10.586 1.00 0.00 C ATOM 107 CD2 PHE A 6 2.528 7.458 9.355 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.141 7.315 11.734 1.00 0.00 C ATOM 109 CE2 PHE A 6 3.168 7.026 10.501 1.00 0.00 C ATOM 110 CZ PHE A 6 2.474 6.954 11.693 1.00 0.00 C ATOM 0 H PHE A 6 -0.104 6.839 6.108 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.195 7.160 8.813 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.148 8.088 7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.377 9.374 8.181 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.538 8.023 10.625 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.077 7.512 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.596 7.261 12.665 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.210 6.745 10.465 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.972 6.617 12.590 1.00 0.00 H new ATOM 120 N ALA A 7 -1.994 9.751 8.336 1.00 0.00 N ATOM 121 CA ALA A 7 -2.937 10.844 8.088 1.00 0.00 C ATOM 122 C ALA A 7 -2.710 11.493 6.721 1.00 0.00 C ATOM 123 O ALA A 7 -3.622 12.101 6.166 1.00 0.00 O ATOM 124 CB ALA A 7 -2.840 11.891 9.190 1.00 0.00 C ATOM 0 H ALA A 7 -1.435 9.862 9.182 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.939 10.416 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.547 12.696 8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.075 11.432 10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.828 12.296 9.219 1.00 0.00 H new ATOM 130 N ASP A 8 -1.500 11.360 6.176 1.00 0.00 N ATOM 131 CA ASP A 8 -1.181 11.936 4.867 1.00 0.00 C ATOM 132 C ASP A 8 -2.256 11.577 3.842 1.00 0.00 C ATOM 133 O ASP A 8 -2.610 12.391 2.989 1.00 0.00 O ATOM 134 CB ASP A 8 0.189 11.444 4.384 1.00 0.00 C ATOM 135 CG ASP A 8 1.314 12.397 4.748 1.00 0.00 C ATOM 136 OD1 ASP A 8 1.453 12.718 5.948 1.00 0.00 O ATOM 137 OD2 ASP A 8 2.058 12.813 3.837 1.00 0.00 O ATOM 0 H ASP A 8 -0.727 10.861 6.617 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.149 13.020 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.393 10.465 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.164 11.314 3.302 1.00 0.00 H new ATOM 142 N LEU A 9 -2.767 10.353 3.936 1.00 0.00 N ATOM 143 CA LEU A 9 -3.800 9.875 3.023 1.00 0.00 C ATOM 144 C LEU A 9 -5.074 9.472 3.773 1.00 0.00 C ATOM 145 O LEU A 9 -6.183 9.662 3.270 1.00 0.00 O ATOM 146 CB LEU A 9 -3.280 8.683 2.212 1.00 0.00 C ATOM 147 CG LEU A 9 -1.841 8.801 1.695 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.529 7.654 0.746 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.614 10.143 1.005 1.00 0.00 C ATOM 0 H LEU A 9 -2.481 9.671 4.639 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.048 10.695 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.351 7.789 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.941 8.533 1.358 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.166 8.745 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.505 7.748 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.643 6.706 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.216 7.685 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.586 10.199 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.297 10.238 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.797 10.952 1.713 1.00 0.00 H new ATOM 161 N ALA A 10 -4.921 8.919 4.978 1.00 0.00 N ATOM 162 CA ALA A 10 -6.076 8.499 5.773 1.00 0.00 C ATOM 163 C ALA A 10 -6.837 9.690 6.356 1.00 0.00 C ATOM 164 O ALA A 10 -7.874 9.514 6.998 1.00 0.00 O ATOM 165 CB ALA A 10 -5.653 7.549 6.882 1.00 0.00 C ATOM 0 H ALA A 10 -4.017 8.753 5.421 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.753 7.975 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.528 7.251 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.187 6.665 6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.940 8.049 7.537 1.00 0.00 H new ATOM 171 N GLU A 11 -6.334 10.899 6.122 1.00 0.00 N ATOM 172 CA GLU A 11 -6.987 12.106 6.614 1.00 0.00 C ATOM 173 C GLU A 11 -7.965 12.644 5.571 1.00 0.00 C ATOM 174 O GLU A 11 -8.968 13.273 5.912 1.00 0.00 O ATOM 175 CB GLU A 11 -5.942 13.169 6.945 1.00 0.00 C ATOM 176 CG GLU A 11 -6.525 14.441 7.538 1.00 0.00 C ATOM 177 CD GLU A 11 -6.286 15.654 6.659 1.00 0.00 C ATOM 178 OE1 GLU A 11 -7.083 15.876 5.724 1.00 0.00 O ATOM 179 OE2 GLU A 11 -5.300 16.379 6.906 1.00 0.00 O ATOM 0 H GLU A 11 -5.477 11.068 5.595 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.541 11.858 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.221 12.750 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.394 13.421 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.597 14.310 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.085 14.615 8.520 1.00 0.00 H new ATOM 186 N VAL A 12 -7.664 12.389 4.299 1.00 0.00 N ATOM 187 CA VAL A 12 -8.506 12.843 3.200 1.00 0.00 C ATOM 188 C VAL A 12 -9.520 11.773 2.797 1.00 0.00 C ATOM 189 O VAL A 12 -10.655 12.088 2.438 1.00 0.00 O ATOM 190 CB VAL A 12 -7.654 13.244 1.977 1.00 0.00 C ATOM 191 CG1 VAL A 12 -8.536 13.685 0.818 1.00 0.00 C ATOM 192 CG2 VAL A 12 -6.671 14.346 2.355 1.00 0.00 C ATOM 0 H VAL A 12 -6.838 11.867 4.006 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.050 13.720 3.552 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.089 12.370 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.910 13.962 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.195 12.866 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.135 14.543 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.077 14.619 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.221 15.219 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.011 13.990 3.146 1.00 0.00 H new ATOM 202 N ALA A 13 -9.110 10.503 2.863 1.00 0.00 N ATOM 203 CA ALA A 13 -9.998 9.398 2.509 1.00 0.00 C ATOM 204 C ALA A 13 -10.697 8.837 3.745 1.00 0.00 C ATOM 205 O ALA A 13 -11.897 8.561 3.716 1.00 0.00 O ATOM 206 CB ALA A 13 -9.221 8.301 1.795 1.00 0.00 C ATOM 0 H ALA A 13 -8.175 10.218 3.156 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.763 9.782 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.896 7.485 1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.776 8.704 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.434 7.928 2.450 1.00 0.00 H new ATOM 212 N GLY A 14 -9.936 8.669 4.826 1.00 0.00 N ATOM 213 CA GLY A 14 -10.491 8.136 6.059 1.00 0.00 C ATOM 214 C GLY A 14 -9.691 6.963 6.592 1.00 0.00 C ATOM 215 O GLY A 14 -9.474 6.849 7.800 1.00 0.00 O ATOM 0 H GLY A 14 -8.942 8.894 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.521 8.924 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.520 7.822 5.885 1.00 0.00 H new ATOM 219 N SER A 15 -9.247 6.091 5.685 1.00 0.00 N ATOM 220 CA SER A 15 -8.462 4.915 6.061 1.00 0.00 C ATOM 221 C SER A 15 -7.866 4.238 4.833 1.00 0.00 C ATOM 222 O SER A 15 -8.513 4.145 3.787 1.00 0.00 O ATOM 223 CB SER A 15 -9.325 3.916 6.835 1.00 0.00 C ATOM 224 OG SER A 15 -8.574 3.267 7.847 1.00 0.00 O ATOM 0 H SER A 15 -9.418 6.178 4.683 1.00 0.00 H new ATOM 0 HA SER A 15 -7.647 5.252 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.173 4.434 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.732 3.174 6.148 1.00 0.00 H new ATOM 0 HG SER A 15 -9.149 2.636 8.327 1.00 0.00 H new ATOM 230 N ARG A 16 -6.628 3.763 4.966 1.00 0.00 N ATOM 231 CA ARG A 16 -5.941 3.088 3.868 1.00 0.00 C ATOM 232 C ARG A 16 -5.189 1.845 4.357 1.00 0.00 C ATOM 233 O ARG A 16 -4.200 1.429 3.750 1.00 0.00 O ATOM 234 CB ARG A 16 -4.972 4.056 3.182 1.00 0.00 C ATOM 235 CG ARG A 16 -5.370 4.409 1.760 1.00 0.00 C ATOM 236 CD ARG A 16 -5.080 3.263 0.806 1.00 0.00 C ATOM 237 NE ARG A 16 -6.278 2.483 0.492 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.173 2.827 -0.439 1.00 0.00 C ATOM 239 NH1 ARG A 16 -7.021 3.948 -1.140 1.00 0.00 N ATOM 240 NH2 ARG A 16 -8.224 2.048 -0.670 1.00 0.00 N ATOM 0 H ARG A 16 -6.081 3.834 5.824 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.693 2.762 3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.909 4.971 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.976 3.614 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.432 4.653 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.829 5.299 1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.656 3.660 -0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.328 2.608 1.247 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.440 1.623 1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.217 4.552 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.709 4.203 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.348 1.187 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.907 2.311 -1.381 1.00 0.00 H new ATOM 254 N THR A 17 -5.670 1.248 5.449 1.00 0.00 N ATOM 255 CA THR A 17 -5.043 0.053 6.005 1.00 0.00 C ATOM 256 C THR A 17 -5.759 -1.203 5.511 1.00 0.00 C ATOM 257 O THR A 17 -6.918 -1.448 5.853 1.00 0.00 O ATOM 258 CB THR A 17 -5.032 0.106 7.542 1.00 0.00 C ATOM 259 OG1 THR A 17 -6.304 -0.201 8.088 1.00 0.00 O ATOM 260 CG2 THR A 17 -4.614 1.451 8.097 1.00 0.00 C ATOM 0 H THR A 17 -6.489 1.573 5.963 1.00 0.00 H new ATOM 0 HA THR A 17 -4.009 0.017 5.663 1.00 0.00 H new ATOM 0 HB THR A 17 -4.295 -0.642 7.833 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.886 -0.553 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.629 1.416 9.186 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.606 1.688 7.755 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.305 2.219 7.749 1.00 0.00 H new ATOM 268 N VAL A 18 -5.066 -1.987 4.685 1.00 0.00 N ATOM 269 CA VAL A 18 -5.638 -3.210 4.123 1.00 0.00 C ATOM 270 C VAL A 18 -4.710 -4.410 4.335 1.00 0.00 C ATOM 271 O VAL A 18 -3.503 -4.249 4.530 1.00 0.00 O ATOM 272 CB VAL A 18 -5.918 -3.051 2.610 1.00 0.00 C ATOM 273 CG1 VAL A 18 -6.938 -4.078 2.137 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.394 -1.638 2.292 1.00 0.00 C ATOM 0 H VAL A 18 -4.108 -1.797 4.390 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.577 -3.389 4.647 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.984 -3.225 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.119 -3.947 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.555 -5.082 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.872 -3.942 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.584 -1.550 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.312 -1.431 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.626 -0.921 2.584 1.00 0.00 H new ATOM 284 N ARG A 19 -5.284 -5.614 4.290 1.00 0.00 N ATOM 285 CA ARG A 19 -4.519 -6.849 4.467 1.00 0.00 C ATOM 286 C ARG A 19 -4.822 -7.834 3.341 1.00 0.00 C ATOM 287 O ARG A 19 -5.932 -7.853 2.807 1.00 0.00 O ATOM 288 CB ARG A 19 -4.842 -7.495 5.819 1.00 0.00 C ATOM 289 CG ARG A 19 -3.685 -7.458 6.805 1.00 0.00 C ATOM 290 CD ARG A 19 -3.980 -6.538 7.977 1.00 0.00 C ATOM 291 NE ARG A 19 -3.806 -5.128 7.625 1.00 0.00 N ATOM 292 CZ ARG A 19 -3.698 -4.147 8.521 1.00 0.00 C ATOM 293 NH1 ARG A 19 -3.708 -4.418 9.823 1.00 0.00 N ATOM 294 NH2 ARG A 19 -3.567 -2.889 8.114 1.00 0.00 N ATOM 0 H ARG A 19 -6.281 -5.760 4.132 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.459 -6.596 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.700 -6.986 6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.136 -8.532 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.487 -8.465 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.782 -7.121 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.002 -6.703 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.321 -6.788 8.809 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.765 -4.882 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.799 -5.382 10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.625 -3.661 10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.549 -2.675 7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.484 -2.137 8.799 1.00 0.00 H new ATOM 308 N VAL A 20 -3.833 -8.652 2.986 1.00 0.00 N ATOM 309 CA VAL A 20 -4.004 -9.640 1.924 1.00 0.00 C ATOM 310 C VAL A 20 -4.118 -11.048 2.503 1.00 0.00 C ATOM 311 O VAL A 20 -3.205 -11.529 3.179 1.00 0.00 O ATOM 312 CB VAL A 20 -2.838 -9.599 0.911 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.134 -10.488 -0.290 1.00 0.00 C ATOM 314 CG2 VAL A 20 -2.560 -8.170 0.465 1.00 0.00 C ATOM 0 H VAL A 20 -2.908 -8.650 3.417 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.927 -9.386 1.402 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.946 -9.981 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.300 -10.444 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.273 -11.516 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.041 -10.141 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.735 -8.165 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.451 -7.757 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.294 -7.564 1.331 1.00 0.00 H new ATOM 324 N ASP A 21 -5.248 -11.701 2.231 1.00 0.00 N ATOM 325 CA ASP A 21 -5.499 -13.053 2.715 1.00 0.00 C ATOM 326 C ASP A 21 -6.059 -13.931 1.599 1.00 0.00 C ATOM 327 O ASP A 21 -5.549 -15.021 1.336 1.00 0.00 O ATOM 328 CB ASP A 21 -6.479 -13.015 3.888 1.00 0.00 C ATOM 329 CG ASP A 21 -5.786 -13.146 5.231 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.219 -14.225 5.504 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.810 -12.168 6.008 1.00 0.00 O ATOM 0 H ASP A 21 -6.007 -11.309 1.674 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.554 -13.480 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.037 -12.079 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.204 -13.821 3.777 1.00 0.00 H new ATOM 336 N VAL A 22 -7.115 -13.442 0.955 1.00 0.00 N ATOM 337 CA VAL A 22 -7.763 -14.165 -0.135 1.00 0.00 C ATOM 338 C VAL A 22 -7.155 -13.792 -1.489 1.00 0.00 C ATOM 339 O VAL A 22 -6.628 -12.691 -1.663 1.00 0.00 O ATOM 340 CB VAL A 22 -9.286 -13.885 -0.157 1.00 0.00 C ATOM 341 CG1 VAL A 22 -9.565 -12.412 -0.425 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.982 -14.766 -1.186 1.00 0.00 C ATOM 0 H VAL A 22 -7.543 -12.542 1.171 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.599 -15.228 0.041 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.689 -14.129 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.642 -12.242 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.109 -11.807 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.144 -12.132 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.051 -14.553 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.573 -14.562 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.821 -15.815 -0.936 1.00 0.00 H new ATOM 352 N ASP A 23 -7.240 -14.718 -2.444 1.00 0.00 N ATOM 353 CA ASP A 23 -6.704 -14.495 -3.785 1.00 0.00 C ATOM 354 C ASP A 23 -7.825 -14.217 -4.786 1.00 0.00 C ATOM 355 O ASP A 23 -8.898 -14.819 -4.714 1.00 0.00 O ATOM 356 CB ASP A 23 -5.889 -15.710 -4.240 1.00 0.00 C ATOM 357 CG ASP A 23 -4.412 -15.581 -3.913 1.00 0.00 C ATOM 358 OD1 ASP A 23 -4.086 -15.175 -2.775 1.00 0.00 O ATOM 359 OD2 ASP A 23 -3.582 -15.890 -4.792 1.00 0.00 O ATOM 0 H ASP A 23 -7.676 -15.631 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.054 -13.621 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.285 -16.607 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.009 -15.840 -5.316 1.00 0.00 H new ATOM 364 N GLY A 24 -7.564 -13.304 -5.722 1.00 0.00 N ATOM 365 CA GLY A 24 -8.555 -12.960 -6.730 1.00 0.00 C ATOM 366 C GLY A 24 -7.950 -12.253 -7.928 1.00 0.00 C ATOM 367 O GLY A 24 -7.205 -12.856 -8.700 1.00 0.00 O ATOM 0 H GLY A 24 -6.683 -12.796 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.057 -13.868 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.316 -12.321 -6.282 1.00 0.00 H new ATOM 371 N ASP A 25 -8.275 -10.967 -8.085 1.00 0.00 N ATOM 372 CA ASP A 25 -7.762 -10.173 -9.200 1.00 0.00 C ATOM 373 C ASP A 25 -7.080 -8.898 -8.699 1.00 0.00 C ATOM 374 O ASP A 25 -7.196 -7.835 -9.315 1.00 0.00 O ATOM 375 CB ASP A 25 -8.903 -9.822 -10.161 1.00 0.00 C ATOM 376 CG ASP A 25 -8.516 -10.010 -11.616 1.00 0.00 C ATOM 377 OD1 ASP A 25 -8.138 -11.140 -11.990 1.00 0.00 O ATOM 378 OD2 ASP A 25 -8.598 -9.027 -12.383 1.00 0.00 O ATOM 0 H ASP A 25 -8.891 -10.455 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.018 -10.767 -9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.768 -10.445 -9.935 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.204 -8.787 -9.999 1.00 0.00 H new ATOM 383 N ALA A 26 -6.364 -9.013 -7.580 1.00 0.00 N ATOM 384 CA ALA A 26 -5.661 -7.877 -6.993 1.00 0.00 C ATOM 385 C ALA A 26 -4.151 -8.103 -7.005 1.00 0.00 C ATOM 386 O ALA A 26 -3.676 -9.176 -6.628 1.00 0.00 O ATOM 387 CB ALA A 26 -6.152 -7.636 -5.573 1.00 0.00 C ATOM 0 H ALA A 26 -6.257 -9.885 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.873 -6.993 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.621 -6.786 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.221 -7.426 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.966 -8.523 -4.968 1.00 0.00 H new ATOM 393 N THR A 27 -3.399 -7.091 -7.440 1.00 0.00 N ATOM 394 CA THR A 27 -1.941 -7.186 -7.505 1.00 0.00 C ATOM 395 C THR A 27 -1.279 -6.233 -6.508 1.00 0.00 C ATOM 396 O THR A 27 -1.937 -5.352 -5.949 1.00 0.00 O ATOM 397 CB THR A 27 -1.444 -6.897 -8.926 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.528 -6.716 -9.823 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.571 -8.002 -9.482 1.00 0.00 C ATOM 0 H THR A 27 -3.776 -6.196 -7.752 1.00 0.00 H new ATOM 0 HA THR A 27 -1.662 -8.205 -7.237 1.00 0.00 H new ATOM 0 HB THR A 27 -0.854 -5.985 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.182 -6.532 -10.721 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.250 -7.740 -10.490 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.304 -8.130 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.137 -8.933 -9.512 1.00 0.00 H new ATOM 407 N VAL A 28 0.027 -6.408 -6.300 1.00 0.00 N ATOM 408 CA VAL A 28 0.781 -5.562 -5.380 1.00 0.00 C ATOM 409 C VAL A 28 1.026 -4.196 -6.003 1.00 0.00 C ATOM 410 O VAL A 28 0.949 -3.168 -5.327 1.00 0.00 O ATOM 411 CB VAL A 28 2.142 -6.192 -5.007 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.841 -5.374 -3.929 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.969 -7.639 -4.555 1.00 0.00 C ATOM 0 H VAL A 28 0.583 -7.130 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 28 0.185 -5.461 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 28 2.768 -6.188 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.797 -5.837 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.012 -4.361 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.215 -5.337 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.942 -8.059 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.318 -7.672 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.524 -8.221 -5.362 1.00 0.00 H new ATOM 423 N GLY A 29 1.311 -4.196 -7.303 1.00 0.00 N ATOM 424 CA GLY A 29 1.552 -2.960 -8.011 1.00 0.00 C ATOM 425 C GLY A 29 0.265 -2.290 -8.449 1.00 0.00 C ATOM 426 O GLY A 29 0.173 -1.063 -8.459 1.00 0.00 O ATOM 0 H GLY A 29 1.378 -5.037 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.114 -2.280 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.172 -3.159 -8.885 1.00 0.00 H new ATOM 430 N ASP A 30 -0.736 -3.103 -8.798 1.00 0.00 N ATOM 431 CA ASP A 30 -2.037 -2.591 -9.228 1.00 0.00 C ATOM 432 C ASP A 30 -2.641 -1.696 -8.147 1.00 0.00 C ATOM 433 O ASP A 30 -3.128 -0.602 -8.433 1.00 0.00 O ATOM 434 CB ASP A 30 -2.984 -3.751 -9.544 1.00 0.00 C ATOM 435 CG ASP A 30 -4.381 -3.288 -9.918 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.504 -2.429 -10.818 1.00 0.00 O ATOM 437 OD2 ASP A 30 -5.352 -3.785 -9.311 1.00 0.00 O ATOM 0 H ASP A 30 -0.668 -4.121 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.895 -1.998 -10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.570 -4.339 -10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.045 -4.410 -8.678 1.00 0.00 H new ATOM 442 N ALA A 31 -2.588 -2.166 -6.901 1.00 0.00 N ATOM 443 CA ALA A 31 -3.110 -1.408 -5.772 1.00 0.00 C ATOM 444 C ALA A 31 -2.141 -0.293 -5.380 1.00 0.00 C ATOM 445 O ALA A 31 -2.551 0.728 -4.834 1.00 0.00 O ATOM 446 CB ALA A 31 -3.373 -2.325 -4.586 1.00 0.00 C ATOM 0 H ALA A 31 -2.187 -3.070 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.055 -0.955 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.762 -1.740 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.102 -3.085 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.443 -2.808 -4.286 1.00 0.00 H new ATOM 452 N LEU A 32 -0.850 -0.495 -5.669 1.00 0.00 N ATOM 453 CA LEU A 32 0.165 0.501 -5.350 1.00 0.00 C ATOM 454 C LEU A 32 -0.091 1.785 -6.132 1.00 0.00 C ATOM 455 O LEU A 32 -0.322 2.839 -5.546 1.00 0.00 O ATOM 456 CB LEU A 32 1.566 -0.037 -5.666 1.00 0.00 C ATOM 457 CG LEU A 32 2.710 0.966 -5.472 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.462 0.678 -4.183 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.656 0.936 -6.664 1.00 0.00 C ATOM 0 H LEU A 32 -0.491 -1.336 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 32 0.109 0.720 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.755 -0.906 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.580 -0.384 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 32 2.281 1.966 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.270 1.400 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.778 0.755 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.878 -0.329 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.461 1.654 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.077 -0.064 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.108 1.196 -7.570 1.00 0.00 H new ATOM 471 N ASP A 33 -0.058 1.679 -7.459 1.00 0.00 N ATOM 472 CA ASP A 33 -0.293 2.826 -8.328 1.00 0.00 C ATOM 473 C ASP A 33 -1.680 3.425 -8.087 1.00 0.00 C ATOM 474 O ASP A 33 -1.865 4.642 -8.181 1.00 0.00 O ATOM 475 CB ASP A 33 -0.127 2.411 -9.795 1.00 0.00 C ATOM 476 CG ASP A 33 -1.335 1.680 -10.356 1.00 0.00 C ATOM 477 OD1 ASP A 33 -2.312 2.355 -10.746 1.00 0.00 O ATOM 478 OD2 ASP A 33 -1.300 0.436 -10.416 1.00 0.00 O ATOM 0 H ASP A 33 0.130 0.808 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 33 0.443 3.595 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.062 3.300 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.751 1.771 -9.887 1.00 0.00 H new ATOM 483 N ALA A 34 -2.650 2.564 -7.771 1.00 0.00 N ATOM 484 CA ALA A 34 -4.016 3.010 -7.514 1.00 0.00 C ATOM 485 C ALA A 34 -4.101 3.805 -6.216 1.00 0.00 C ATOM 486 O ALA A 34 -4.650 4.904 -6.185 1.00 0.00 O ATOM 487 CB ALA A 34 -4.968 1.824 -7.466 1.00 0.00 C ATOM 0 H ALA A 34 -2.513 1.557 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.311 3.664 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.981 2.178 -7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.943 1.298 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.663 1.145 -6.670 1.00 0.00 H new ATOM 493 N LEU A 35 -3.556 3.238 -5.141 1.00 0.00 N ATOM 494 CA LEU A 35 -3.571 3.888 -3.831 1.00 0.00 C ATOM 495 C LEU A 35 -2.681 5.135 -3.807 1.00 0.00 C ATOM 496 O LEU A 35 -2.834 5.991 -2.934 1.00 0.00 O ATOM 497 CB LEU A 35 -3.118 2.902 -2.748 1.00 0.00 C ATOM 498 CG LEU A 35 -4.225 2.028 -2.145 1.00 0.00 C ATOM 499 CD1 LEU A 35 -4.865 1.141 -3.206 1.00 0.00 C ATOM 500 CD2 LEU A 35 -3.672 1.182 -1.008 1.00 0.00 C ATOM 0 H LEU A 35 -3.097 2.327 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.595 4.204 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.355 2.250 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.645 3.465 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.997 2.688 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.646 0.533 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.301 1.764 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.107 0.490 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.470 0.567 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.878 0.538 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.272 1.833 -0.231 1.00 0.00 H new ATOM 512 N VAL A 36 -1.748 5.232 -4.759 1.00 0.00 N ATOM 513 CA VAL A 36 -0.837 6.372 -4.825 1.00 0.00 C ATOM 514 C VAL A 36 -1.457 7.569 -5.554 1.00 0.00 C ATOM 515 O VAL A 36 -1.326 8.707 -5.100 1.00 0.00 O ATOM 516 CB VAL A 36 0.490 5.995 -5.520 1.00 0.00 C ATOM 517 CG1 VAL A 36 1.346 7.233 -5.764 1.00 0.00 C ATOM 518 CG2 VAL A 36 1.257 4.969 -4.698 1.00 0.00 C ATOM 0 H VAL A 36 -1.606 4.536 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.639 6.658 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 36 0.250 5.551 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.275 6.942 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.803 7.931 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.573 7.712 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.188 4.718 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.481 5.384 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.652 4.069 -4.583 1.00 0.00 H new ATOM 528 N GLY A 37 -2.106 7.316 -6.692 1.00 0.00 N ATOM 529 CA GLY A 37 -2.697 8.407 -7.460 1.00 0.00 C ATOM 530 C GLY A 37 -4.121 8.150 -7.926 1.00 0.00 C ATOM 531 O GLY A 37 -4.925 9.080 -8.004 1.00 0.00 O ATOM 0 H GLY A 37 -2.233 6.387 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.685 9.311 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.072 8.601 -8.332 1.00 0.00 H new ATOM 535 N ALA A 38 -4.434 6.897 -8.247 1.00 0.00 N ATOM 536 CA ALA A 38 -5.772 6.528 -8.721 1.00 0.00 C ATOM 537 C ALA A 38 -6.842 6.621 -7.622 1.00 0.00 C ATOM 538 O ALA A 38 -8.018 6.356 -7.885 1.00 0.00 O ATOM 539 CB ALA A 38 -5.752 5.130 -9.324 1.00 0.00 C ATOM 0 H ALA A 38 -3.780 6.116 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.046 7.252 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.752 4.869 -9.672 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.058 5.106 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.432 4.412 -8.568 1.00 0.00 H new ATOM 545 N HIS A 39 -6.447 6.994 -6.399 1.00 0.00 N ATOM 546 CA HIS A 39 -7.389 7.114 -5.296 1.00 0.00 C ATOM 547 C HIS A 39 -7.373 8.528 -4.720 1.00 0.00 C ATOM 548 O HIS A 39 -7.000 8.733 -3.562 1.00 0.00 O ATOM 549 CB HIS A 39 -7.057 6.091 -4.205 1.00 0.00 C ATOM 550 CG HIS A 39 -7.799 4.798 -4.351 1.00 0.00 C ATOM 551 ND1 HIS A 39 -7.182 3.610 -4.686 1.00 0.00 N ATOM 552 CD2 HIS A 39 -9.113 4.507 -4.201 1.00 0.00 C ATOM 553 CE1 HIS A 39 -8.084 2.647 -4.734 1.00 0.00 C ATOM 554 NE2 HIS A 39 -9.262 3.165 -4.444 1.00 0.00 N ATOM 0 H HIS A 39 -5.482 7.216 -6.155 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.391 6.913 -5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.986 5.890 -4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.285 6.524 -3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.897 5.202 -3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.890 1.611 -4.971 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.142 2.651 -4.406 1.00 0.00 H new ATOM 563 N PRO A 40 -7.791 9.530 -5.523 1.00 0.00 N ATOM 564 CA PRO A 40 -7.835 10.935 -5.090 1.00 0.00 C ATOM 565 C PRO A 40 -8.562 11.126 -3.755 1.00 0.00 C ATOM 566 O PRO A 40 -8.390 12.149 -3.096 1.00 0.00 O ATOM 567 CB PRO A 40 -8.612 11.618 -6.214 1.00 0.00 C ATOM 568 CG PRO A 40 -8.324 10.792 -7.414 1.00 0.00 C ATOM 569 CD PRO A 40 -8.259 9.376 -6.917 1.00 0.00 C ATOM 0 HA PRO A 40 -6.836 11.337 -4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.680 11.647 -5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.286 12.649 -6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.103 10.909 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.384 11.089 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.232 8.888 -6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.571 8.772 -7.509 1.00 0.00 H new ATOM 577 N ALA A 41 -9.373 10.137 -3.362 1.00 0.00 N ATOM 578 CA ALA A 41 -10.119 10.198 -2.105 1.00 0.00 C ATOM 579 C ALA A 41 -9.220 10.578 -0.927 1.00 0.00 C ATOM 580 O ALA A 41 -9.678 11.214 0.019 1.00 0.00 O ATOM 581 CB ALA A 41 -10.803 8.868 -1.833 1.00 0.00 C ATOM 0 H ALA A 41 -9.528 9.284 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.874 10.977 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.354 8.928 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.493 8.641 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.053 8.080 -1.763 1.00 0.00 H new ATOM 587 N LEU A 42 -7.948 10.179 -0.987 1.00 0.00 N ATOM 588 CA LEU A 42 -6.989 10.478 0.078 1.00 0.00 C ATOM 589 C LEU A 42 -5.985 11.562 -0.339 1.00 0.00 C ATOM 590 O LEU A 42 -5.186 12.023 0.476 1.00 0.00 O ATOM 591 CB LEU A 42 -6.239 9.207 0.477 1.00 0.00 C ATOM 592 CG LEU A 42 -5.470 8.510 -0.650 1.00 0.00 C ATOM 593 CD1 LEU A 42 -4.197 9.276 -0.984 1.00 0.00 C ATOM 594 CD2 LEU A 42 -5.147 7.078 -0.255 1.00 0.00 C ATOM 0 H LEU A 42 -7.557 9.646 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.554 10.858 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.536 9.456 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.956 8.500 0.895 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.097 8.492 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.665 8.765 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.453 10.286 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.560 9.326 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.600 6.592 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.536 7.079 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.073 6.535 -0.066 1.00 0.00 H new ATOM 606 N GLU A 43 -6.028 11.963 -1.610 1.00 0.00 N ATOM 607 CA GLU A 43 -5.122 12.984 -2.131 1.00 0.00 C ATOM 608 C GLU A 43 -5.698 13.615 -3.401 1.00 0.00 C ATOM 609 O GLU A 43 -5.201 13.382 -4.504 1.00 0.00 O ATOM 610 CB GLU A 43 -3.742 12.376 -2.414 1.00 0.00 C ATOM 611 CG GLU A 43 -2.713 13.389 -2.893 1.00 0.00 C ATOM 612 CD GLU A 43 -1.929 14.009 -1.753 1.00 0.00 C ATOM 613 OE1 GLU A 43 -1.335 13.254 -0.957 1.00 0.00 O ATOM 614 OE2 GLU A 43 -1.909 15.254 -1.659 1.00 0.00 O ATOM 0 H GLU A 43 -6.684 11.594 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.011 13.765 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.373 11.898 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.847 11.594 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.022 12.902 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.218 14.177 -3.452 1.00 0.00 H new ATOM 621 N SER A 44 -6.754 14.409 -3.235 1.00 0.00 N ATOM 622 CA SER A 44 -7.405 15.072 -4.364 1.00 0.00 C ATOM 623 C SER A 44 -6.535 16.200 -4.925 1.00 0.00 C ATOM 624 O SER A 44 -6.568 16.479 -6.124 1.00 0.00 O ATOM 625 CB SER A 44 -8.771 15.617 -3.937 1.00 0.00 C ATOM 626 OG SER A 44 -9.752 15.386 -4.934 1.00 0.00 O ATOM 0 H SER A 44 -7.178 14.609 -2.329 1.00 0.00 H new ATOM 0 HA SER A 44 -7.545 14.334 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.079 15.144 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.693 16.686 -3.741 1.00 0.00 H new ATOM 0 HG SER A 44 -10.614 15.743 -4.634 1.00 0.00 H new ATOM 632 N ARG A 45 -5.754 16.842 -4.052 1.00 0.00 N ATOM 633 CA ARG A 45 -4.873 17.934 -4.459 1.00 0.00 C ATOM 634 C ARG A 45 -3.492 17.766 -3.830 1.00 0.00 C ATOM 635 O ARG A 45 -3.370 17.651 -2.609 1.00 0.00 O ATOM 636 CB ARG A 45 -5.471 19.287 -4.055 1.00 0.00 C ATOM 637 CG ARG A 45 -6.856 19.548 -4.633 1.00 0.00 C ATOM 638 CD ARG A 45 -7.814 20.073 -3.571 1.00 0.00 C ATOM 639 NE ARG A 45 -9.184 20.185 -4.073 1.00 0.00 N ATOM 640 CZ ARG A 45 -9.605 21.153 -4.894 1.00 0.00 C ATOM 641 NH1 ARG A 45 -8.768 22.101 -5.310 1.00 0.00 N ATOM 642 NH2 ARG A 45 -10.871 21.173 -5.299 1.00 0.00 N ATOM 0 H ARG A 45 -5.716 16.622 -3.057 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.772 17.906 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.526 19.338 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.798 20.081 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.782 20.270 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.253 18.627 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.798 19.407 -2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.473 21.050 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.860 19.481 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.795 22.093 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.099 22.835 -5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.519 20.451 -4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.195 21.910 -5.925 1.00 0.00 H new ATOM 656 N VAL A 46 -2.453 17.753 -4.667 1.00 0.00 N ATOM 657 CA VAL A 46 -1.079 17.594 -4.186 1.00 0.00 C ATOM 658 C VAL A 46 -0.376 18.952 -4.046 1.00 0.00 C ATOM 659 O VAL A 46 0.817 19.078 -4.326 1.00 0.00 O ATOM 660 CB VAL A 46 -0.256 16.676 -5.123 1.00 0.00 C ATOM 661 CG1 VAL A 46 1.018 16.203 -4.433 1.00 0.00 C ATOM 662 CG2 VAL A 46 -1.091 15.483 -5.578 1.00 0.00 C ATOM 0 H VAL A 46 -2.536 17.850 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.139 17.127 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 46 0.025 17.255 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.581 15.560 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.627 17.066 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.759 15.645 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.494 14.851 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.406 14.907 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.970 15.838 -6.116 1.00 0.00 H new ATOM 672 N PHE A 47 -1.132 19.962 -3.596 1.00 0.00 N ATOM 673 CA PHE A 47 -0.605 21.315 -3.399 1.00 0.00 C ATOM 674 C PHE A 47 -0.085 21.906 -4.707 1.00 0.00 C ATOM 675 O PHE A 47 1.032 21.613 -5.137 1.00 0.00 O ATOM 676 CB PHE A 47 0.500 21.319 -2.336 1.00 0.00 C ATOM 677 CG PHE A 47 -0.022 21.455 -0.933 1.00 0.00 C ATOM 678 CD1 PHE A 47 -0.514 20.352 -0.253 1.00 0.00 C ATOM 679 CD2 PHE A 47 -0.020 22.684 -0.296 1.00 0.00 C ATOM 680 CE1 PHE A 47 -0.995 20.475 1.037 1.00 0.00 C ATOM 681 CE2 PHE A 47 -0.498 22.813 0.992 1.00 0.00 C ATOM 682 CZ PHE A 47 -0.987 21.707 1.661 1.00 0.00 C ATOM 0 H PHE A 47 -2.119 19.864 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.427 21.940 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.073 20.395 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.188 22.139 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.522 19.386 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.360 23.552 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.377 19.608 1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.490 23.778 1.477 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.362 21.806 2.669 1.00 0.00 H new ATOM 692 N GLY A 48 -0.911 22.742 -5.335 1.00 0.00 N ATOM 693 CA GLY A 48 -0.533 23.365 -6.590 1.00 0.00 C ATOM 694 C GLY A 48 -1.166 22.685 -7.790 1.00 0.00 C ATOM 695 O GLY A 48 -1.530 23.350 -8.759 1.00 0.00 O ATOM 0 H GLY A 48 -1.838 22.998 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.827 24.414 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.552 23.340 -6.692 1.00 0.00 H new ATOM 699 N ASP A 49 -1.300 21.353 -7.717 1.00 0.00 N ATOM 700 CA ASP A 49 -1.897 20.559 -8.794 1.00 0.00 C ATOM 701 C ASP A 49 -0.975 20.504 -10.014 1.00 0.00 C ATOM 702 O ASP A 49 -0.456 19.442 -10.354 1.00 0.00 O ATOM 703 CB ASP A 49 -3.277 21.108 -9.182 1.00 0.00 C ATOM 704 CG ASP A 49 -4.193 21.275 -7.983 1.00 0.00 C ATOM 705 OD1 ASP A 49 -4.800 20.272 -7.554 1.00 0.00 O ATOM 706 OD2 ASP A 49 -4.298 22.409 -7.467 1.00 0.00 O ATOM 0 H ASP A 49 -0.999 20.801 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.028 19.542 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.155 22.070 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.744 20.435 -9.901 1.00 0.00 H new ATOM 711 N ASP A 50 -0.768 21.654 -10.662 1.00 0.00 N ATOM 712 CA ASP A 50 0.104 21.730 -11.837 1.00 0.00 C ATOM 713 C ASP A 50 1.485 22.280 -11.466 1.00 0.00 C ATOM 714 O ASP A 50 2.143 22.938 -12.278 1.00 0.00 O ATOM 715 CB ASP A 50 -0.541 22.606 -12.917 1.00 0.00 C ATOM 716 CG ASP A 50 -1.312 21.792 -13.940 1.00 0.00 C ATOM 717 OD1 ASP A 50 -2.303 21.139 -13.554 1.00 0.00 O ATOM 718 OD2 ASP A 50 -0.924 21.814 -15.128 1.00 0.00 O ATOM 0 H ASP A 50 -1.191 22.542 -10.394 1.00 0.00 H new ATOM 0 HA ASP A 50 0.236 20.721 -12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.214 23.323 -12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.233 23.182 -13.424 1.00 0.00 H new ATOM 723 N GLY A 51 1.926 21.999 -10.237 1.00 0.00 N ATOM 724 CA GLY A 51 3.224 22.465 -9.784 1.00 0.00 C ATOM 725 C GLY A 51 4.347 21.532 -10.195 1.00 0.00 C ATOM 726 O GLY A 51 5.101 21.832 -11.121 1.00 0.00 O ATOM 0 H GLY A 51 1.404 21.456 -9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.413 23.458 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.214 22.562 -8.698 1.00 0.00 H new ATOM 730 N GLU A 52 4.455 20.399 -9.504 1.00 0.00 N ATOM 731 CA GLU A 52 5.494 19.417 -9.799 1.00 0.00 C ATOM 732 C GLU A 52 5.065 18.017 -9.363 1.00 0.00 C ATOM 733 O GLU A 52 4.389 17.853 -8.346 1.00 0.00 O ATOM 734 CB GLU A 52 6.801 19.805 -9.102 1.00 0.00 C ATOM 735 CG GLU A 52 8.021 19.712 -10.002 1.00 0.00 C ATOM 736 CD GLU A 52 8.385 18.278 -10.338 1.00 0.00 C ATOM 737 OE1 GLU A 52 9.013 17.610 -9.491 1.00 0.00 O ATOM 738 OE2 GLU A 52 8.034 17.822 -11.445 1.00 0.00 O ATOM 0 H GLU A 52 3.836 20.139 -8.736 1.00 0.00 H new ATOM 0 HA GLU A 52 5.653 19.406 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.714 20.825 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.948 19.158 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.831 20.261 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.868 20.194 -9.513 1.00 0.00 H new ATOM 745 N LEU A 53 5.468 17.011 -10.138 1.00 0.00 N ATOM 746 CA LEU A 53 5.130 15.626 -9.830 1.00 0.00 C ATOM 747 C LEU A 53 6.228 14.983 -8.984 1.00 0.00 C ATOM 748 O LEU A 53 7.231 14.495 -9.511 1.00 0.00 O ATOM 749 CB LEU A 53 4.912 14.827 -11.121 1.00 0.00 C ATOM 750 CG LEU A 53 3.742 13.840 -11.082 1.00 0.00 C ATOM 751 CD1 LEU A 53 2.413 14.582 -11.031 1.00 0.00 C ATOM 752 CD2 LEU A 53 3.791 12.908 -12.288 1.00 0.00 C ATOM 0 H LEU A 53 6.028 17.131 -10.982 1.00 0.00 H new ATOM 0 HA LEU A 53 4.203 15.617 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.750 15.527 -11.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.825 14.276 -11.348 1.00 0.00 H new ATOM 0 HG LEU A 53 3.830 13.238 -10.177 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.595 13.862 -11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.378 15.205 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.313 15.211 -11.916 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.953 12.213 -12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.729 13.495 -13.204 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.727 12.349 -12.278 1.00 0.00 H new ATOM 764 N TYR A 54 6.029 14.993 -7.666 1.00 0.00 N ATOM 765 CA TYR A 54 6.999 14.419 -6.735 1.00 0.00 C ATOM 766 C TYR A 54 6.343 13.372 -5.835 1.00 0.00 C ATOM 767 O TYR A 54 5.362 13.658 -5.143 1.00 0.00 O ATOM 768 CB TYR A 54 7.640 15.522 -5.883 1.00 0.00 C ATOM 769 CG TYR A 54 6.644 16.352 -5.093 1.00 0.00 C ATOM 770 CD1 TYR A 54 5.930 17.380 -5.699 1.00 0.00 C ATOM 771 CD2 TYR A 54 6.420 16.104 -3.745 1.00 0.00 C ATOM 772 CE1 TYR A 54 5.023 18.137 -4.981 1.00 0.00 C ATOM 773 CE2 TYR A 54 5.515 16.856 -3.022 1.00 0.00 C ATOM 774 CZ TYR A 54 4.819 17.871 -3.643 1.00 0.00 C ATOM 775 OH TYR A 54 3.913 18.622 -2.926 1.00 0.00 O ATOM 0 H TYR A 54 5.204 15.393 -7.219 1.00 0.00 H new ATOM 0 HA TYR A 54 7.777 13.927 -7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.347 15.066 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.212 16.183 -6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.086 17.590 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.963 15.310 -3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.477 18.933 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.353 16.650 -1.974 1.00 0.00 H new ATOM 0 HH TYR A 54 3.887 18.306 -1.999 1.00 0.00 H new ATOM 785 N ASP A 55 6.892 12.156 -5.850 1.00 0.00 N ATOM 786 CA ASP A 55 6.364 11.064 -5.037 1.00 0.00 C ATOM 787 C ASP A 55 7.344 10.684 -3.929 1.00 0.00 C ATOM 788 O ASP A 55 8.447 10.206 -4.202 1.00 0.00 O ATOM 789 CB ASP A 55 6.065 9.845 -5.915 1.00 0.00 C ATOM 790 CG ASP A 55 4.835 9.080 -5.457 1.00 0.00 C ATOM 791 OD1 ASP A 55 3.821 9.727 -5.115 1.00 0.00 O ATOM 792 OD2 ASP A 55 4.886 7.832 -5.440 1.00 0.00 O ATOM 0 H ASP A 55 7.702 11.905 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 55 5.438 11.404 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.922 10.171 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.927 9.177 -5.908 1.00 0.00 H new ATOM 797 N HIS A 56 6.937 10.905 -2.678 1.00 0.00 N ATOM 798 CA HIS A 56 7.780 10.591 -1.525 1.00 0.00 C ATOM 799 C HIS A 56 6.973 9.892 -0.429 1.00 0.00 C ATOM 800 O HIS A 56 6.214 10.535 0.298 1.00 0.00 O ATOM 801 CB HIS A 56 8.417 11.870 -0.973 1.00 0.00 C ATOM 802 CG HIS A 56 9.608 12.330 -1.754 1.00 0.00 C ATOM 803 ND1 HIS A 56 9.533 13.268 -2.763 1.00 0.00 N ATOM 804 CD2 HIS A 56 10.912 11.978 -1.667 1.00 0.00 C ATOM 805 CE1 HIS A 56 10.739 13.472 -3.262 1.00 0.00 C ATOM 806 NE2 HIS A 56 11.593 12.700 -2.613 1.00 0.00 N ATOM 0 H HIS A 56 6.028 11.301 -2.438 1.00 0.00 H new ATOM 0 HA HIS A 56 8.567 9.913 -1.855 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.670 12.664 -0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 56 8.715 11.701 0.062 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.337 11.261 -0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.985 14.153 -4.063 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.597 12.649 -2.788 1.00 0.00 H new ATOM 815 N ILE A 57 7.148 8.573 -0.316 1.00 0.00 N ATOM 816 CA ILE A 57 6.440 7.783 0.692 1.00 0.00 C ATOM 817 C ILE A 57 7.281 6.585 1.133 1.00 0.00 C ATOM 818 O ILE A 57 7.660 5.747 0.313 1.00 0.00 O ATOM 819 CB ILE A 57 5.074 7.276 0.171 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.211 6.701 -1.244 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.043 8.396 0.199 1.00 0.00 C ATOM 822 CD1 ILE A 57 4.249 5.570 -1.536 1.00 0.00 C ATOM 0 H ILE A 57 7.774 8.030 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 57 6.266 8.442 1.542 1.00 0.00 H new ATOM 0 HB ILE A 57 4.732 6.478 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.050 7.499 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.231 6.344 -1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.089 8.021 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.921 8.753 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.380 9.217 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.404 5.214 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.424 4.753 -0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.225 5.927 -1.429 1.00 0.00 H new ATOM 834 N ASN A 58 7.566 6.510 2.432 1.00 0.00 N ATOM 835 CA ASN A 58 8.363 5.412 2.977 1.00 0.00 C ATOM 836 C ASN A 58 7.492 4.180 3.233 1.00 0.00 C ATOM 837 O ASN A 58 6.285 4.298 3.457 1.00 0.00 O ATOM 838 CB ASN A 58 9.062 5.842 4.272 1.00 0.00 C ATOM 839 CG ASN A 58 10.550 6.092 4.087 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.128 5.757 3.053 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.180 6.684 5.097 1.00 0.00 N ATOM 0 H ASN A 58 7.259 7.193 3.124 1.00 0.00 H new ATOM 0 HA ASN A 58 9.122 5.151 2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.591 6.750 4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.920 5.071 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.180 6.876 5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.664 6.946 5.937 1.00 0.00 H new ATOM 848 N VAL A 59 8.111 3.002 3.192 1.00 0.00 N ATOM 849 CA VAL A 59 7.397 1.746 3.411 1.00 0.00 C ATOM 850 C VAL A 59 8.174 0.812 4.339 1.00 0.00 C ATOM 851 O VAL A 59 9.406 0.782 4.313 1.00 0.00 O ATOM 852 CB VAL A 59 7.119 1.026 2.071 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.422 0.641 1.378 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.239 -0.198 2.286 1.00 0.00 C ATOM 0 H VAL A 59 9.108 2.891 3.009 1.00 0.00 H new ATOM 0 HA VAL A 59 6.449 1.998 3.886 1.00 0.00 H new ATOM 0 HB VAL A 59 6.584 1.719 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.199 0.136 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.007 1.539 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.993 -0.028 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.057 -0.688 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.740 -0.893 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.289 0.109 2.723 1.00 0.00 H new ATOM 864 N LEU A 60 7.446 0.044 5.148 1.00 0.00 N ATOM 865 CA LEU A 60 8.062 -0.900 6.074 1.00 0.00 C ATOM 866 C LEU A 60 7.947 -2.325 5.543 1.00 0.00 C ATOM 867 O LEU A 60 6.845 -2.824 5.318 1.00 0.00 O ATOM 868 CB LEU A 60 7.409 -0.807 7.457 1.00 0.00 C ATOM 869 CG LEU A 60 8.328 -1.146 8.637 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.823 -2.585 8.544 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.504 -0.180 8.692 1.00 0.00 C ATOM 0 H LEU A 60 6.427 0.058 5.180 1.00 0.00 H new ATOM 0 HA LEU A 60 9.117 -0.641 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.027 0.205 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.550 -1.478 7.482 1.00 0.00 H new ATOM 0 HG LEU A 60 7.752 -1.044 9.557 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.473 -2.802 9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.971 -3.264 8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.380 -2.719 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.146 -0.435 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.076 -0.250 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.133 0.838 8.813 1.00 0.00 H new ATOM 883 N ARG A 61 9.091 -2.976 5.350 1.00 0.00 N ATOM 884 CA ARG A 61 9.122 -4.347 4.851 1.00 0.00 C ATOM 885 C ARG A 61 10.053 -5.210 5.700 1.00 0.00 C ATOM 886 O ARG A 61 11.106 -4.746 6.143 1.00 0.00 O ATOM 887 CB ARG A 61 9.573 -4.367 3.385 1.00 0.00 C ATOM 888 CG ARG A 61 8.603 -3.671 2.442 1.00 0.00 C ATOM 889 CD ARG A 61 9.087 -3.720 1.000 1.00 0.00 C ATOM 890 NE ARG A 61 7.980 -3.619 0.047 1.00 0.00 N ATOM 891 CZ ARG A 61 8.067 -3.972 -1.240 1.00 0.00 C ATOM 892 NH1 ARG A 61 9.211 -4.434 -1.738 1.00 0.00 N ATOM 893 NH2 ARG A 61 7.006 -3.861 -2.030 1.00 0.00 N ATOM 0 H ARG A 61 10.011 -2.575 5.532 1.00 0.00 H new ATOM 0 HA ARG A 61 8.115 -4.759 4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.549 -3.889 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.698 -5.402 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.624 -4.144 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.479 -2.633 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.791 -2.906 0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.628 -4.651 0.830 1.00 0.00 H new ATOM 0 HE ARG A 61 7.088 -3.257 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.031 -4.521 -1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.269 -4.701 -2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.126 -3.507 -1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.071 -4.130 -3.012 1.00 0.00 H new ATOM 907 N ASN A 62 9.662 -6.468 5.922 1.00 0.00 N ATOM 908 CA ASN A 62 10.466 -7.400 6.719 1.00 0.00 C ATOM 909 C ASN A 62 11.827 -7.664 6.069 1.00 0.00 C ATOM 910 O ASN A 62 12.765 -8.101 6.740 1.00 0.00 O ATOM 911 CB ASN A 62 9.721 -8.724 6.914 1.00 0.00 C ATOM 912 CG ASN A 62 8.622 -8.622 7.953 1.00 0.00 C ATOM 913 OD1 ASN A 62 7.450 -8.861 7.658 1.00 0.00 O ATOM 914 ND2 ASN A 62 8.992 -8.262 9.178 1.00 0.00 N ATOM 0 H ASN A 62 8.794 -6.865 5.561 1.00 0.00 H new ATOM 0 HA ASN A 62 10.635 -6.936 7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.290 -9.039 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.430 -9.496 7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.294 -8.175 9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.974 -8.073 9.379 1.00 0.00 H new ATOM 921 N GLY A 63 11.927 -7.402 4.764 1.00 0.00 N ATOM 922 CA GLY A 63 13.172 -7.622 4.048 1.00 0.00 C ATOM 923 C GLY A 63 13.081 -8.765 3.045 1.00 0.00 C ATOM 924 O GLY A 63 14.099 -9.361 2.687 1.00 0.00 O ATOM 0 H GLY A 63 11.164 -7.040 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.452 -6.707 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.965 -7.835 4.764 1.00 0.00 H new ATOM 928 N GLU A 64 11.861 -9.069 2.593 1.00 0.00 N ATOM 929 CA GLU A 64 11.634 -10.141 1.634 1.00 0.00 C ATOM 930 C GLU A 64 11.467 -9.575 0.222 1.00 0.00 C ATOM 931 O GLU A 64 11.233 -8.378 0.045 1.00 0.00 O ATOM 932 CB GLU A 64 10.393 -10.951 2.027 1.00 0.00 C ATOM 933 CG GLU A 64 9.239 -10.104 2.550 1.00 0.00 C ATOM 934 CD GLU A 64 7.874 -10.709 2.267 1.00 0.00 C ATOM 935 OE1 GLU A 64 7.623 -11.108 1.110 1.00 0.00 O ATOM 936 OE2 GLU A 64 7.051 -10.776 3.206 1.00 0.00 O ATOM 0 H GLU A 64 11.013 -8.581 2.882 1.00 0.00 H new ATOM 0 HA GLU A 64 12.503 -10.799 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.051 -11.516 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.673 -11.677 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.354 -9.970 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.291 -9.113 2.098 1.00 0.00 H new ATOM 943 N ALA A 65 11.588 -10.447 -0.774 1.00 0.00 N ATOM 944 CA ALA A 65 11.453 -10.044 -2.171 1.00 0.00 C ATOM 945 C ALA A 65 10.013 -10.205 -2.652 1.00 0.00 C ATOM 946 O ALA A 65 9.436 -11.289 -2.561 1.00 0.00 O ATOM 947 CB ALA A 65 12.402 -10.853 -3.046 1.00 0.00 C ATOM 0 H ALA A 65 11.780 -11.440 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 65 11.716 -8.989 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.292 -10.543 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.429 -10.682 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.165 -11.913 -2.956 1.00 0.00 H new ATOM 953 N ALA A 66 9.438 -9.116 -3.166 1.00 0.00 N ATOM 954 CA ALA A 66 8.064 -9.134 -3.662 1.00 0.00 C ATOM 955 C ALA A 66 7.964 -8.505 -5.051 1.00 0.00 C ATOM 956 O ALA A 66 8.840 -7.741 -5.463 1.00 0.00 O ATOM 957 CB ALA A 66 7.144 -8.406 -2.692 1.00 0.00 C ATOM 0 H ALA A 66 9.903 -8.212 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 66 7.752 -10.175 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.123 -8.427 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.178 -8.898 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.471 -7.372 -2.587 1.00 0.00 H new ATOM 963 N ALA A 67 6.886 -8.829 -5.767 1.00 0.00 N ATOM 964 CA ALA A 67 6.659 -8.295 -7.110 1.00 0.00 C ATOM 965 C ALA A 67 5.454 -7.358 -7.136 1.00 0.00 C ATOM 966 O ALA A 67 4.693 -7.289 -6.170 1.00 0.00 O ATOM 967 CB ALA A 67 6.461 -9.434 -8.102 1.00 0.00 C ATOM 0 H ALA A 67 6.155 -9.460 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 67 7.539 -7.720 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.293 -9.024 -9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.350 -10.064 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.598 -10.030 -7.804 1.00 0.00 H new ATOM 973 N LEU A 68 5.283 -6.642 -8.247 1.00 0.00 N ATOM 974 CA LEU A 68 4.165 -5.711 -8.399 1.00 0.00 C ATOM 975 C LEU A 68 3.076 -6.297 -9.303 1.00 0.00 C ATOM 976 O LEU A 68 1.886 -6.069 -9.076 1.00 0.00 O ATOM 977 CB LEU A 68 4.661 -4.361 -8.945 1.00 0.00 C ATOM 978 CG LEU A 68 4.741 -4.240 -10.474 1.00 0.00 C ATOM 979 CD1 LEU A 68 3.458 -3.648 -11.040 1.00 0.00 C ATOM 980 CD2 LEU A 68 5.940 -3.390 -10.879 1.00 0.00 C ATOM 0 H LEU A 68 5.904 -6.689 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 68 3.726 -5.546 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.002 -3.577 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.651 -4.167 -8.533 1.00 0.00 H new ATOM 0 HG LEU A 68 4.866 -5.241 -10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.540 -3.572 -12.124 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.616 -4.291 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.298 -2.656 -10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.982 -3.314 -11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.841 -2.393 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.856 -3.854 -10.512 1.00 0.00 H new ATOM 992 N GLY A 69 3.486 -7.056 -10.321 1.00 0.00 N ATOM 993 CA GLY A 69 2.528 -7.662 -11.235 1.00 0.00 C ATOM 994 C GLY A 69 2.098 -9.057 -10.809 1.00 0.00 C ATOM 995 O GLY A 69 1.743 -9.881 -11.652 1.00 0.00 O ATOM 0 H GLY A 69 4.463 -7.261 -10.528 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.648 -7.023 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.967 -7.712 -12.231 1.00 0.00 H new ATOM 999 N GLU A 70 2.125 -9.323 -9.499 1.00 0.00 N ATOM 1000 CA GLU A 70 1.730 -10.626 -8.968 1.00 0.00 C ATOM 1001 C GLU A 70 1.701 -10.605 -7.441 1.00 0.00 C ATOM 1002 O GLU A 70 2.746 -10.663 -6.790 1.00 0.00 O ATOM 1003 CB GLU A 70 2.689 -11.716 -9.456 1.00 0.00 C ATOM 1004 CG GLU A 70 2.021 -12.784 -10.310 1.00 0.00 C ATOM 1005 CD GLU A 70 3.013 -13.567 -11.149 1.00 0.00 C ATOM 1006 OE1 GLU A 70 4.049 -14.000 -10.598 1.00 0.00 O ATOM 1007 OE2 GLU A 70 2.757 -13.746 -12.358 1.00 0.00 O ATOM 0 H GLU A 70 2.417 -8.651 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 70 0.727 -10.848 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.489 -11.252 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.153 -12.192 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.475 -13.472 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.288 -12.314 -10.966 1.00 0.00 H new ATOM 1014 N ALA A 71 0.497 -10.530 -6.872 1.00 0.00 N ATOM 1015 CA ALA A 71 0.331 -10.509 -5.418 1.00 0.00 C ATOM 1016 C ALA A 71 0.375 -11.919 -4.816 1.00 0.00 C ATOM 1017 O ALA A 71 0.142 -12.092 -3.618 1.00 0.00 O ATOM 1018 CB ALA A 71 -0.974 -9.818 -5.049 1.00 0.00 C ATOM 0 H ALA A 71 -0.377 -10.483 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 71 1.167 -9.949 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.087 -9.808 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.961 -8.794 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.810 -10.356 -5.496 1.00 0.00 H new ATOM 1024 N THR A 72 0.681 -12.925 -5.644 1.00 0.00 N ATOM 1025 CA THR A 72 0.760 -14.310 -5.181 1.00 0.00 C ATOM 1026 C THR A 72 2.092 -14.601 -4.474 1.00 0.00 C ATOM 1027 O THR A 72 2.331 -15.731 -4.041 1.00 0.00 O ATOM 1028 CB THR A 72 0.580 -15.271 -6.361 1.00 0.00 C ATOM 1029 OG1 THR A 72 0.910 -14.641 -7.587 1.00 0.00 O ATOM 1030 CG2 THR A 72 -0.830 -15.805 -6.488 1.00 0.00 C ATOM 0 H THR A 72 0.877 -12.803 -6.637 1.00 0.00 H new ATOM 0 HA THR A 72 -0.042 -14.460 -4.459 1.00 0.00 H new ATOM 0 HB THR A 72 1.253 -16.103 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.789 -15.275 -8.324 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.888 -16.479 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.097 -16.346 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.522 -14.975 -6.632 1.00 0.00 H new ATOM 1038 N ALA A 73 2.956 -13.588 -4.353 1.00 0.00 N ATOM 1039 CA ALA A 73 4.251 -13.754 -3.698 1.00 0.00 C ATOM 1040 C ALA A 73 4.090 -13.961 -2.190 1.00 0.00 C ATOM 1041 O ALA A 73 2.972 -14.043 -1.681 1.00 0.00 O ATOM 1042 CB ALA A 73 5.138 -12.549 -3.978 1.00 0.00 C ATOM 0 H ALA A 73 2.779 -12.646 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 73 4.725 -14.646 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.101 -12.683 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.291 -12.452 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.658 -11.648 -3.597 1.00 0.00 H new ATOM 1048 N ALA A 74 5.220 -14.045 -1.482 1.00 0.00 N ATOM 1049 CA ALA A 74 5.209 -14.246 -0.032 1.00 0.00 C ATOM 1050 C ALA A 74 4.456 -13.122 0.683 1.00 0.00 C ATOM 1051 O ALA A 74 3.716 -13.373 1.637 1.00 0.00 O ATOM 1052 CB ALA A 74 6.635 -14.357 0.499 1.00 0.00 C ATOM 0 H ALA A 74 6.152 -13.977 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 74 4.684 -15.179 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.611 -14.506 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.134 -15.203 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.180 -13.441 0.272 1.00 0.00 H new ATOM 1058 N GLY A 75 4.646 -11.889 0.216 1.00 0.00 N ATOM 1059 CA GLY A 75 3.976 -10.753 0.822 1.00 0.00 C ATOM 1060 C GLY A 75 4.336 -9.440 0.157 1.00 0.00 C ATOM 1061 O GLY A 75 5.223 -9.395 -0.699 1.00 0.00 O ATOM 0 H GLY A 75 5.252 -11.658 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.897 -10.900 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.237 -10.704 1.879 1.00 0.00 H new ATOM 1065 N ASP A 76 3.649 -8.369 0.553 1.00 0.00 N ATOM 1066 CA ASP A 76 3.901 -7.042 -0.005 1.00 0.00 C ATOM 1067 C ASP A 76 4.792 -6.238 0.937 1.00 0.00 C ATOM 1068 O ASP A 76 5.959 -5.984 0.637 1.00 0.00 O ATOM 1069 CB ASP A 76 2.584 -6.290 -0.252 1.00 0.00 C ATOM 1070 CG ASP A 76 1.624 -7.014 -1.187 1.00 0.00 C ATOM 1071 OD1 ASP A 76 1.784 -8.233 -1.398 1.00 0.00 O ATOM 1072 OD2 ASP A 76 0.703 -6.353 -1.711 1.00 0.00 O ATOM 0 H ASP A 76 2.913 -8.395 1.259 1.00 0.00 H new ATOM 0 HA ASP A 76 4.409 -7.166 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.088 -6.123 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.810 -5.309 -0.669 1.00 0.00 H new ATOM 1077 N GLU A 77 4.229 -5.850 2.080 1.00 0.00 N ATOM 1078 CA GLU A 77 4.959 -5.086 3.089 1.00 0.00 C ATOM 1079 C GLU A 77 4.223 -5.129 4.432 1.00 0.00 C ATOM 1080 O GLU A 77 3.326 -5.949 4.628 1.00 0.00 O ATOM 1081 CB GLU A 77 5.156 -3.635 2.621 1.00 0.00 C ATOM 1082 CG GLU A 77 3.861 -2.864 2.426 1.00 0.00 C ATOM 1083 CD GLU A 77 3.453 -2.784 0.967 1.00 0.00 C ATOM 1084 OE1 GLU A 77 4.163 -2.112 0.189 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.429 -3.396 0.602 1.00 0.00 O ATOM 0 H GLU A 77 3.262 -6.054 2.331 1.00 0.00 H new ATOM 0 HA GLU A 77 5.941 -5.539 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.772 -3.110 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.708 -3.640 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.066 -3.343 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.977 -1.856 2.824 1.00 0.00 H new ATOM 1092 N LEU A 78 4.612 -4.250 5.351 1.00 0.00 N ATOM 1093 CA LEU A 78 3.993 -4.193 6.669 1.00 0.00 C ATOM 1094 C LEU A 78 3.130 -2.940 6.808 1.00 0.00 C ATOM 1095 O LEU A 78 1.966 -3.017 7.203 1.00 0.00 O ATOM 1096 CB LEU A 78 5.071 -4.207 7.753 1.00 0.00 C ATOM 1097 CG LEU A 78 4.724 -4.997 9.015 1.00 0.00 C ATOM 1098 CD1 LEU A 78 4.900 -6.490 8.783 1.00 0.00 C ATOM 1099 CD2 LEU A 78 5.585 -4.530 10.179 1.00 0.00 C ATOM 0 H LEU A 78 5.355 -3.566 5.205 1.00 0.00 H new ATOM 0 HA LEU A 78 3.353 -5.067 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.985 -4.620 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.289 -3.178 8.038 1.00 0.00 H new ATOM 0 HG LEU A 78 3.678 -4.815 9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.648 -7.032 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.243 -6.813 7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.936 -6.697 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.329 -5.100 11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.637 -4.685 9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.407 -3.470 10.361 1.00 0.00 H new ATOM 1111 N ALA A 79 3.716 -1.787 6.479 1.00 0.00 N ATOM 1112 CA ALA A 79 3.012 -0.511 6.566 1.00 0.00 C ATOM 1113 C ALA A 79 3.616 0.524 5.615 1.00 0.00 C ATOM 1114 O ALA A 79 4.668 0.292 5.016 1.00 0.00 O ATOM 1115 CB ALA A 79 3.040 0.005 7.999 1.00 0.00 C ATOM 0 H ALA A 79 4.678 -1.713 6.149 1.00 0.00 H new ATOM 0 HA ALA A 79 1.977 -0.674 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.512 0.957 8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.554 -0.717 8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.074 0.145 8.315 1.00 0.00 H new ATOM 1121 N LEU A 80 2.943 1.666 5.487 1.00 0.00 N ATOM 1122 CA LEU A 80 3.400 2.747 4.616 1.00 0.00 C ATOM 1123 C LEU A 80 3.278 4.094 5.323 1.00 0.00 C ATOM 1124 O LEU A 80 2.170 4.581 5.566 1.00 0.00 O ATOM 1125 CB LEU A 80 2.586 2.762 3.316 1.00 0.00 C ATOM 1126 CG LEU A 80 3.216 3.542 2.159 1.00 0.00 C ATOM 1127 CD1 LEU A 80 4.327 2.734 1.507 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.153 3.918 1.135 1.00 0.00 C ATOM 0 H LEU A 80 2.073 1.867 5.980 1.00 0.00 H new ATOM 0 HA LEU A 80 4.449 2.573 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.427 1.733 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.604 3.186 3.526 1.00 0.00 H new ATOM 0 HG LEU A 80 3.653 4.458 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.761 3.307 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.099 2.515 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.919 1.800 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.615 4.472 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.689 3.013 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.393 4.538 1.610 1.00 0.00 H new ATOM 1140 N PHE A 81 4.419 4.688 5.655 1.00 0.00 N ATOM 1141 CA PHE A 81 4.445 5.976 6.342 1.00 0.00 C ATOM 1142 C PHE A 81 5.368 6.964 5.627 1.00 0.00 C ATOM 1143 O PHE A 81 6.545 6.676 5.411 1.00 0.00 O ATOM 1144 CB PHE A 81 4.885 5.799 7.800 1.00 0.00 C ATOM 1145 CG PHE A 81 6.217 5.112 7.964 1.00 0.00 C ATOM 1146 CD1 PHE A 81 6.317 3.730 7.885 1.00 0.00 C ATOM 1147 CD2 PHE A 81 7.366 5.850 8.202 1.00 0.00 C ATOM 1148 CE1 PHE A 81 7.538 3.100 8.036 1.00 0.00 C ATOM 1149 CE2 PHE A 81 8.589 5.225 8.354 1.00 0.00 C ATOM 1150 CZ PHE A 81 8.676 3.849 8.273 1.00 0.00 C ATOM 0 H PHE A 81 5.341 4.298 5.459 1.00 0.00 H new ATOM 0 HA PHE A 81 3.434 6.383 6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.933 6.779 8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.125 5.225 8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.431 3.140 7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.305 6.926 8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.603 2.024 7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.477 5.812 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.631 3.359 8.394 1.00 0.00 H new ATOM 1160 N PRO A 82 4.847 8.148 5.249 1.00 0.00 N ATOM 1161 CA PRO A 82 5.634 9.174 4.560 1.00 0.00 C ATOM 1162 C PRO A 82 6.553 9.945 5.511 1.00 0.00 C ATOM 1163 O PRO A 82 6.129 10.366 6.589 1.00 0.00 O ATOM 1164 CB PRO A 82 4.564 10.095 3.975 1.00 0.00 C ATOM 1165 CG PRO A 82 3.410 9.976 4.910 1.00 0.00 C ATOM 1166 CD PRO A 82 3.449 8.576 5.465 1.00 0.00 C ATOM 0 HA PRO A 82 6.304 8.747 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.918 11.124 3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.289 9.791 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.482 10.712 5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.470 10.161 4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.184 8.558 6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.746 7.922 4.949 1.00 0.00 H new ATOM 1174 N PRO A 83 7.832 10.134 5.124 1.00 0.00 N ATOM 1175 CA PRO A 83 8.812 10.852 5.947 1.00 0.00 C ATOM 1176 C PRO A 83 8.589 12.367 5.937 1.00 0.00 C ATOM 1177 O PRO A 83 8.380 12.963 4.879 1.00 0.00 O ATOM 1178 CB PRO A 83 10.146 10.503 5.284 1.00 0.00 C ATOM 1179 CG PRO A 83 9.802 10.254 3.855 1.00 0.00 C ATOM 1180 CD PRO A 83 8.420 9.658 3.854 1.00 0.00 C ATOM 0 HA PRO A 83 8.751 10.567 6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.863 11.318 5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.598 9.623 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.827 11.181 3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.519 9.575 3.394 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.840 9.993 2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.453 8.569 3.811 1.00 0.00 H new ATOM 1188 N VAL A 84 8.638 12.979 7.119 1.00 0.00 N ATOM 1189 CA VAL A 84 8.444 14.422 7.246 1.00 0.00 C ATOM 1190 C VAL A 84 9.780 15.163 7.170 1.00 0.00 C ATOM 1191 O VAL A 84 10.629 15.036 8.055 1.00 0.00 O ATOM 1192 CB VAL A 84 7.707 14.787 8.557 1.00 0.00 C ATOM 1193 CG1 VAL A 84 8.514 14.366 9.779 1.00 0.00 C ATOM 1194 CG2 VAL A 84 7.395 16.276 8.599 1.00 0.00 C ATOM 0 H VAL A 84 8.810 12.498 8.002 1.00 0.00 H new ATOM 0 HA VAL A 84 7.820 14.736 6.409 1.00 0.00 H new ATOM 0 HB VAL A 84 6.765 14.239 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.970 14.636 10.685 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.671 13.288 9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.479 14.873 9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.877 16.513 9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.324 16.844 8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.761 16.539 7.753 1.00 0.00 H new ATOM 1204 N SER A 85 9.962 15.931 6.097 1.00 0.00 N ATOM 1205 CA SER A 85 11.193 16.688 5.888 1.00 0.00 C ATOM 1206 C SER A 85 11.081 18.100 6.458 1.00 0.00 C ATOM 1207 O SER A 85 11.943 18.537 7.224 1.00 0.00 O ATOM 1208 CB SER A 85 11.523 16.755 4.395 1.00 0.00 C ATOM 1209 OG SER A 85 12.331 15.658 4.001 1.00 0.00 O ATOM 0 H SER A 85 9.269 16.045 5.357 1.00 0.00 H new ATOM 0 HA SER A 85 11.996 16.172 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.600 16.758 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.040 17.689 4.175 1.00 0.00 H new ATOM 0 HG SER A 85 12.526 15.723 3.043 1.00 0.00 H new ATOM 1215 N GLY A 86 10.018 18.811 6.079 1.00 0.00 N ATOM 1216 CA GLY A 86 9.816 20.166 6.562 1.00 0.00 C ATOM 1217 C GLY A 86 9.213 20.198 7.956 1.00 0.00 C ATOM 1218 O GLY A 86 9.639 19.449 8.837 1.00 0.00 O ATOM 0 H GLY A 86 9.294 18.471 5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.770 20.693 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.162 20.701 5.873 1.00 0.00 H new ATOM 1222 N GLY A 87 8.221 21.062 8.153 1.00 0.00 N ATOM 1223 CA GLY A 87 7.574 21.169 9.447 1.00 0.00 C ATOM 1224 C GLY A 87 6.338 20.300 9.543 1.00 0.00 C ATOM 1225 O GLY A 87 6.441 19.177 10.078 1.00 0.00 O ATOM 0 H GLY A 87 7.854 21.690 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.278 20.883 10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.300 22.208 9.629 1.00 0.00 H new TER 1229 GLY A 87