USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 HIS : no HD1:sc=-0.00255 X(o=-0.14,f=-0.25) USER MOD Set 1.2: A 58 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.026) USER MOD Single : A 1 MET CE :methyl 165:sc= 0 (180deg=-0.102) USER MOD Single : A 1 MET N :NH3+ -153:sc= -1.37 (180deg=-1.58) 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= -0.762 USER MOD Single : A 39 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-0.95) USER MOD Single : A 44 SER OG : rot 180:sc= -0.543 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.7!) USER MOD Single : A 72 THR OG1 : rot -98:sc= 0.509 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.929 -8.583 1.397 1.00 0.00 N ATOM 2 CA MET A 1 1.238 -9.028 2.638 1.00 0.00 C ATOM 3 C MET A 1 0.700 -7.840 3.436 1.00 0.00 C ATOM 4 O MET A 1 -0.461 -7.844 3.848 1.00 0.00 O ATOM 5 CB MET A 1 2.219 -9.843 3.488 1.00 0.00 C ATOM 6 CG MET A 1 1.675 -11.200 3.910 1.00 0.00 C ATOM 7 SD MET A 1 2.204 -11.677 5.566 1.00 0.00 S ATOM 8 CE MET A 1 1.194 -10.590 6.568 1.00 0.00 C ATOM 0 H1 MET A 1 1.876 -9.336 0.681 1.00 0.00 H new ATOM 0 H2 MET A 1 1.468 -7.725 1.032 1.00 0.00 H new ATOM 0 H3 MET A 1 2.926 -8.377 1.610 1.00 0.00 H new ATOM 0 HA MET A 1 0.384 -9.646 2.362 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.141 -9.989 2.925 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.477 -9.271 4.379 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.586 -11.178 3.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.003 -11.956 3.196 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.201 -10.937 7.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.594 -9.577 6.522 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.171 -10.594 6.191 1.00 0.00 H new ATOM 20 N GLU A 2 1.543 -6.828 3.655 1.00 0.00 N ATOM 21 CA GLU A 2 1.128 -5.646 4.406 1.00 0.00 C ATOM 22 C GLU A 2 1.591 -4.356 3.728 1.00 0.00 C ATOM 23 O GLU A 2 2.590 -4.342 3.003 1.00 0.00 O ATOM 24 CB GLU A 2 1.660 -5.708 5.841 1.00 0.00 C ATOM 25 CG GLU A 2 3.171 -5.865 5.933 1.00 0.00 C ATOM 26 CD GLU A 2 3.661 -6.003 7.362 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.291 -5.157 8.205 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.418 -6.957 7.638 1.00 0.00 O ATOM 0 H GLU A 2 2.508 -6.805 3.325 1.00 0.00 H new ATOM 0 HA GLU A 2 0.038 -5.639 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.366 -4.799 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.186 -6.542 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.476 -6.742 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.650 -5.002 5.471 1.00 0.00 H new ATOM 35 N TRP A 3 0.846 -3.278 3.973 1.00 0.00 N ATOM 36 CA TRP A 3 1.151 -1.973 3.406 1.00 0.00 C ATOM 37 C TRP A 3 0.562 -0.870 4.281 1.00 0.00 C ATOM 38 O TRP A 3 -0.483 -1.059 4.907 1.00 0.00 O ATOM 39 CB TRP A 3 0.593 -1.865 1.982 1.00 0.00 C ATOM 40 CG TRP A 3 1.390 -0.957 1.092 1.00 0.00 C ATOM 41 CD1 TRP A 3 2.637 -0.456 1.334 1.00 0.00 C ATOM 42 CD2 TRP A 3 0.992 -0.441 -0.184 1.00 0.00 C ATOM 43 NE1 TRP A 3 3.038 0.334 0.287 1.00 0.00 N ATOM 44 CE2 TRP A 3 2.047 0.362 -0.655 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.153 -0.582 -0.973 1.00 0.00 C ATOM 46 CZ2 TRP A 3 1.991 1.022 -1.880 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.207 0.076 -2.189 1.00 0.00 C ATOM 48 CH2 TRP A 3 0.859 0.868 -2.631 1.00 0.00 C ATOM 0 H TRP A 3 0.018 -3.289 4.568 1.00 0.00 H new ATOM 0 HA TRP A 3 2.234 -1.856 3.367 1.00 0.00 H new ATOM 0 HB2 TRP A 3 0.561 -2.859 1.537 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.434 -1.503 2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.222 -0.653 2.220 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.931 0.822 0.222 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.979 -1.193 -0.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 2.812 1.633 -2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.087 -0.023 -2.808 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.786 1.368 -3.585 1.00 0.00 H new ATOM 59 N LYS A 4 1.230 0.276 4.321 1.00 0.00 N ATOM 60 CA LYS A 4 0.764 1.408 5.115 1.00 0.00 C ATOM 61 C LYS A 4 0.930 2.705 4.336 1.00 0.00 C ATOM 62 O LYS A 4 1.870 2.845 3.558 1.00 0.00 O ATOM 63 CB LYS A 4 1.539 1.489 6.433 1.00 0.00 C ATOM 64 CG LYS A 4 0.859 0.778 7.591 1.00 0.00 C ATOM 65 CD LYS A 4 1.872 0.286 8.613 1.00 0.00 C ATOM 66 CE LYS A 4 1.514 0.738 10.022 1.00 0.00 C ATOM 67 NZ LYS A 4 0.314 0.032 10.553 1.00 0.00 N ATOM 0 H LYS A 4 2.097 0.447 3.812 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.293 1.262 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.530 1.060 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.681 2.537 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.154 1.456 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.282 -0.066 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.922 -0.802 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.863 0.658 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.361 0.560 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.330 1.812 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.108 0.372 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.502 0.222 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.497 -0.991 10.580 1.00 0.00 H new ATOM 81 N LEU A 5 0.018 3.650 4.544 1.00 0.00 N ATOM 82 CA LEU A 5 0.085 4.933 3.847 1.00 0.00 C ATOM 83 C LEU A 5 -0.178 6.092 4.806 1.00 0.00 C ATOM 84 O LEU A 5 -0.677 5.896 5.917 1.00 0.00 O ATOM 85 CB LEU A 5 -0.915 4.960 2.686 1.00 0.00 C ATOM 86 CG LEU A 5 -0.567 5.921 1.544 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.844 5.271 0.196 1.00 0.00 C ATOM 88 CD2 LEU A 5 -1.348 7.221 1.681 1.00 0.00 C ATOM 0 H LEU A 5 -0.771 3.555 5.184 1.00 0.00 H new ATOM 0 HA LEU A 5 1.092 5.050 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.000 3.953 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.896 5.229 3.079 1.00 0.00 H new ATOM 0 HG LEU A 5 0.497 6.152 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.591 5.968 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.240 4.369 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.900 5.009 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.087 7.890 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.417 7.008 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.100 7.696 2.630 1.00 0.00 H new ATOM 100 N PHE A 6 0.155 7.303 4.366 1.00 0.00 N ATOM 101 CA PHE A 6 -0.052 8.499 5.177 1.00 0.00 C ATOM 102 C PHE A 6 -1.512 8.957 5.082 1.00 0.00 C ATOM 103 O PHE A 6 -2.328 8.318 4.414 1.00 0.00 O ATOM 104 CB PHE A 6 0.889 9.622 4.715 1.00 0.00 C ATOM 105 CG PHE A 6 1.606 10.317 5.840 1.00 0.00 C ATOM 106 CD1 PHE A 6 2.679 9.711 6.476 1.00 0.00 C ATOM 107 CD2 PHE A 6 1.208 11.577 6.261 1.00 0.00 C ATOM 108 CE1 PHE A 6 3.340 10.348 7.510 1.00 0.00 C ATOM 109 CE2 PHE A 6 1.865 12.218 7.295 1.00 0.00 C ATOM 110 CZ PHE A 6 2.932 11.603 7.920 1.00 0.00 C ATOM 0 H PHE A 6 0.570 7.482 3.451 1.00 0.00 H new ATOM 0 HA PHE A 6 0.172 8.261 6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.627 9.205 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.313 10.358 4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.002 8.730 6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.375 12.063 5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.174 9.865 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.544 13.199 7.614 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.447 12.102 8.728 1.00 0.00 H new ATOM 120 N ALA A 7 -1.837 10.063 5.756 1.00 0.00 N ATOM 121 CA ALA A 7 -3.201 10.599 5.745 1.00 0.00 C ATOM 122 C ALA A 7 -3.584 11.179 4.378 1.00 0.00 C ATOM 123 O ALA A 7 -4.743 11.523 4.154 1.00 0.00 O ATOM 124 CB ALA A 7 -3.359 11.656 6.828 1.00 0.00 C ATOM 0 H ALA A 7 -1.177 10.604 6.315 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.878 9.769 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.376 12.047 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.159 11.211 7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.655 12.469 6.649 1.00 0.00 H new ATOM 130 N ASP A 8 -2.610 11.287 3.469 1.00 0.00 N ATOM 131 CA ASP A 8 -2.858 11.824 2.130 1.00 0.00 C ATOM 132 C ASP A 8 -4.023 11.109 1.449 1.00 0.00 C ATOM 133 O ASP A 8 -4.844 11.740 0.781 1.00 0.00 O ATOM 134 CB ASP A 8 -1.596 11.707 1.268 1.00 0.00 C ATOM 135 CG ASP A 8 -1.437 12.874 0.312 1.00 0.00 C ATOM 136 OD1 ASP A 8 -1.542 14.034 0.764 1.00 0.00 O ATOM 137 OD2 ASP A 8 -1.203 12.629 -0.888 1.00 0.00 O ATOM 0 H ASP A 8 -1.643 11.009 3.637 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.123 12.876 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.721 11.650 1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.633 10.778 0.699 1.00 0.00 H new ATOM 142 N LEU A 9 -4.090 9.794 1.624 1.00 0.00 N ATOM 143 CA LEU A 9 -5.157 8.993 1.028 1.00 0.00 C ATOM 144 C LEU A 9 -6.252 8.668 2.045 1.00 0.00 C ATOM 145 O LEU A 9 -7.429 8.574 1.691 1.00 0.00 O ATOM 146 CB LEU A 9 -4.588 7.699 0.445 1.00 0.00 C ATOM 147 CG LEU A 9 -4.235 7.765 -1.043 1.00 0.00 C ATOM 148 CD1 LEU A 9 -2.897 8.460 -1.250 1.00 0.00 C ATOM 149 CD2 LEU A 9 -4.217 6.368 -1.646 1.00 0.00 C ATOM 0 H LEU A 9 -3.418 9.258 2.174 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.604 9.584 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.693 7.428 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.313 6.899 0.597 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.001 8.350 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.666 8.496 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.949 9.475 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.116 7.908 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.964 6.432 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.473 5.759 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.200 5.911 -1.535 1.00 0.00 H new ATOM 161 N ALA A 10 -5.864 8.498 3.311 1.00 0.00 N ATOM 162 CA ALA A 10 -6.824 8.182 4.369 1.00 0.00 C ATOM 163 C ALA A 10 -7.715 9.380 4.716 1.00 0.00 C ATOM 164 O ALA A 10 -8.668 9.244 5.486 1.00 0.00 O ATOM 165 CB ALA A 10 -6.102 7.689 5.612 1.00 0.00 C ATOM 0 H ALA A 10 -4.897 8.573 3.627 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.471 7.390 3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.831 7.459 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.533 6.791 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.423 8.463 5.970 1.00 0.00 H new ATOM 171 N GLU A 11 -7.409 10.548 4.150 1.00 0.00 N ATOM 172 CA GLU A 11 -8.193 11.751 4.411 1.00 0.00 C ATOM 173 C GLU A 11 -9.475 11.769 3.575 1.00 0.00 C ATOM 174 O GLU A 11 -10.481 12.348 3.989 1.00 0.00 O ATOM 175 CB GLU A 11 -7.361 13.004 4.114 1.00 0.00 C ATOM 176 CG GLU A 11 -8.032 14.301 4.548 1.00 0.00 C ATOM 177 CD GLU A 11 -7.131 15.189 5.392 1.00 0.00 C ATOM 178 OE1 GLU A 11 -6.414 14.655 6.266 1.00 0.00 O ATOM 179 OE2 GLU A 11 -7.145 16.419 5.178 1.00 0.00 O ATOM 0 H GLU A 11 -6.626 10.684 3.510 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.471 11.746 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.398 12.918 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.159 13.050 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.348 14.853 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.932 14.065 5.115 1.00 0.00 H new ATOM 186 N VAL A 12 -9.437 11.145 2.396 1.00 0.00 N ATOM 187 CA VAL A 12 -10.604 11.115 1.516 1.00 0.00 C ATOM 188 C VAL A 12 -11.393 9.812 1.651 1.00 0.00 C ATOM 189 O VAL A 12 -12.615 9.836 1.803 1.00 0.00 O ATOM 190 CB VAL A 12 -10.206 11.322 0.043 1.00 0.00 C ATOM 191 CG1 VAL A 12 -11.430 11.652 -0.801 1.00 0.00 C ATOM 192 CG2 VAL A 12 -9.157 12.419 -0.080 1.00 0.00 C ATOM 0 H VAL A 12 -8.618 10.658 2.032 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.244 11.939 1.831 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.774 10.393 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.129 11.795 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.146 10.832 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.893 12.566 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.889 12.550 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.560 13.353 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.270 12.140 0.489 1.00 0.00 H new ATOM 202 N ALA A 13 -10.694 8.680 1.586 1.00 0.00 N ATOM 203 CA ALA A 13 -11.344 7.372 1.696 1.00 0.00 C ATOM 204 C ALA A 13 -11.111 6.731 3.062 1.00 0.00 C ATOM 205 O ALA A 13 -11.985 6.037 3.583 1.00 0.00 O ATOM 206 CB ALA A 13 -10.859 6.444 0.592 1.00 0.00 C ATOM 0 H ALA A 13 -9.683 8.640 1.458 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.417 7.532 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.351 5.476 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.097 6.878 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.780 6.312 0.675 1.00 0.00 H new ATOM 212 N GLY A 14 -9.927 6.959 3.632 1.00 0.00 N ATOM 213 CA GLY A 14 -9.600 6.385 4.928 1.00 0.00 C ATOM 214 C GLY A 14 -8.977 5.006 4.815 1.00 0.00 C ATOM 215 O GLY A 14 -9.086 4.193 5.736 1.00 0.00 O ATOM 0 H GLY A 14 -9.190 7.530 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.912 7.049 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.505 6.322 5.532 1.00 0.00 H new ATOM 219 N SER A 15 -8.320 4.740 3.682 1.00 0.00 N ATOM 220 CA SER A 15 -7.678 3.449 3.450 1.00 0.00 C ATOM 221 C SER A 15 -6.204 3.633 3.096 1.00 0.00 C ATOM 222 O SER A 15 -5.820 3.573 1.925 1.00 0.00 O ATOM 223 CB SER A 15 -8.399 2.686 2.333 1.00 0.00 C ATOM 224 OG SER A 15 -9.774 3.028 2.278 1.00 0.00 O ATOM 0 H SER A 15 -8.221 5.403 2.913 1.00 0.00 H new ATOM 0 HA SER A 15 -7.741 2.868 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.928 2.909 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.295 1.613 2.497 1.00 0.00 H new ATOM 0 HG SER A 15 -10.207 2.527 1.555 1.00 0.00 H new ATOM 230 N ARG A 16 -5.381 3.865 4.116 1.00 0.00 N ATOM 231 CA ARG A 16 -3.957 4.060 3.928 1.00 0.00 C ATOM 232 C ARG A 16 -3.213 2.726 3.962 1.00 0.00 C ATOM 233 O ARG A 16 -2.334 2.477 3.137 1.00 0.00 O ATOM 234 CB ARG A 16 -3.418 5.004 5.007 1.00 0.00 C ATOM 235 CG ARG A 16 -3.656 4.530 6.434 1.00 0.00 C ATOM 236 CD ARG A 16 -3.965 5.694 7.362 1.00 0.00 C ATOM 237 NE ARG A 16 -3.859 5.317 8.769 1.00 0.00 N ATOM 238 CZ ARG A 16 -2.702 5.200 9.426 1.00 0.00 C ATOM 239 NH1 ARG A 16 -1.544 5.419 8.802 1.00 0.00 N ATOM 240 NH2 ARG A 16 -2.702 4.854 10.709 1.00 0.00 N ATOM 0 H ARG A 16 -5.686 3.922 5.088 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.793 4.508 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.347 5.136 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.881 5.983 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.483 3.821 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.775 4.000 6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.279 6.515 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.971 6.061 7.160 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.721 5.132 9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.537 5.678 7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.665 5.327 9.311 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.584 4.678 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.820 4.764 11.213 1.00 0.00 H new ATOM 254 N THR A 17 -3.571 1.870 4.919 1.00 0.00 N ATOM 255 CA THR A 17 -2.930 0.567 5.054 1.00 0.00 C ATOM 256 C THR A 17 -3.705 -0.505 4.291 1.00 0.00 C ATOM 257 O THR A 17 -4.938 -0.523 4.304 1.00 0.00 O ATOM 258 CB THR A 17 -2.794 0.179 6.534 1.00 0.00 C ATOM 259 OG1 THR A 17 -4.015 -0.329 7.050 1.00 0.00 O ATOM 260 CG2 THR A 17 -2.369 1.329 7.423 1.00 0.00 C ATOM 0 H THR A 17 -4.299 2.057 5.609 1.00 0.00 H new ATOM 0 HA THR A 17 -1.932 0.638 4.622 1.00 0.00 H new ATOM 0 HB THR A 17 -2.015 -0.584 6.549 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.897 -0.569 7.993 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.293 0.983 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.400 1.704 7.094 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.108 2.128 7.362 1.00 0.00 H new ATOM 268 N VAL A 18 -2.972 -1.397 3.624 1.00 0.00 N ATOM 269 CA VAL A 18 -3.582 -2.474 2.852 1.00 0.00 C ATOM 270 C VAL A 18 -2.966 -3.827 3.209 1.00 0.00 C ATOM 271 O VAL A 18 -1.824 -4.117 2.846 1.00 0.00 O ATOM 272 CB VAL A 18 -3.436 -2.234 1.332 1.00 0.00 C ATOM 273 CG1 VAL A 18 -4.309 -3.202 0.548 1.00 0.00 C ATOM 274 CG2 VAL A 18 -3.778 -0.793 0.980 1.00 0.00 C ATOM 0 H VAL A 18 -1.952 -1.393 3.604 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.642 -2.484 3.107 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.397 -2.414 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.191 -3.016 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.010 -4.226 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.353 -3.059 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.669 -0.645 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.806 -0.581 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.104 -0.119 1.509 1.00 0.00 H new ATOM 284 N ARG A 19 -3.731 -4.654 3.924 1.00 0.00 N ATOM 285 CA ARG A 19 -3.267 -5.979 4.330 1.00 0.00 C ATOM 286 C ARG A 19 -3.868 -7.060 3.432 1.00 0.00 C ATOM 287 O ARG A 19 -4.955 -6.884 2.880 1.00 0.00 O ATOM 288 CB ARG A 19 -3.632 -6.248 5.794 1.00 0.00 C ATOM 289 CG ARG A 19 -2.442 -6.176 6.738 1.00 0.00 C ATOM 290 CD ARG A 19 -2.235 -7.490 7.477 1.00 0.00 C ATOM 291 NE ARG A 19 -3.253 -7.713 8.503 1.00 0.00 N ATOM 292 CZ ARG A 19 -3.238 -7.137 9.710 1.00 0.00 C ATOM 293 NH1 ARG A 19 -2.261 -6.297 10.047 1.00 0.00 N ATOM 294 NH2 ARG A 19 -4.205 -7.401 10.581 1.00 0.00 N ATOM 0 H ARG A 19 -4.676 -4.428 4.234 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.182 -6.006 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.383 -5.524 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.088 -7.235 5.871 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.543 -5.930 6.173 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.596 -5.373 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.255 -8.313 6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.248 -7.493 7.940 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.022 -8.347 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.516 -6.088 9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.258 -5.862 10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.957 -8.042 10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.195 -6.963 11.502 1.00 0.00 H new ATOM 308 N VAL A 20 -3.155 -8.178 3.291 1.00 0.00 N ATOM 309 CA VAL A 20 -3.620 -9.284 2.458 1.00 0.00 C ATOM 310 C VAL A 20 -4.200 -10.407 3.316 1.00 0.00 C ATOM 311 O VAL A 20 -3.506 -10.974 4.163 1.00 0.00 O ATOM 312 CB VAL A 20 -2.484 -9.851 1.578 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.020 -10.897 0.607 1.00 0.00 C ATOM 314 CG2 VAL A 20 -1.774 -8.735 0.824 1.00 0.00 C ATOM 0 H VAL A 20 -2.255 -8.340 3.743 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.399 -8.885 1.808 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.760 -10.334 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.202 -11.282 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.472 -11.716 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.771 -10.442 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.978 -9.159 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.488 -8.217 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.347 -8.029 1.536 1.00 0.00 H new ATOM 324 N ASP A 21 -5.475 -10.721 3.089 1.00 0.00 N ATOM 325 CA ASP A 21 -6.156 -11.774 3.834 1.00 0.00 C ATOM 326 C ASP A 21 -6.790 -12.792 2.891 1.00 0.00 C ATOM 327 O ASP A 21 -6.324 -13.928 2.784 1.00 0.00 O ATOM 328 CB ASP A 21 -7.223 -11.165 4.749 1.00 0.00 C ATOM 329 CG ASP A 21 -6.740 -11.012 6.176 1.00 0.00 C ATOM 330 OD1 ASP A 21 -6.749 -12.017 6.919 1.00 0.00 O ATOM 331 OD2 ASP A 21 -6.349 -9.886 6.555 1.00 0.00 O ATOM 0 H ASP A 21 -6.057 -10.258 2.392 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.416 -12.293 4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.517 -10.190 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.113 -11.795 4.735 1.00 0.00 H new ATOM 336 N VAL A 22 -7.854 -12.375 2.211 1.00 0.00 N ATOM 337 CA VAL A 22 -8.559 -13.243 1.271 1.00 0.00 C ATOM 338 C VAL A 22 -7.966 -13.129 -0.133 1.00 0.00 C ATOM 339 O VAL A 22 -7.516 -12.055 -0.544 1.00 0.00 O ATOM 340 CB VAL A 22 -10.070 -12.917 1.222 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.310 -11.503 0.711 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.816 -13.936 0.365 1.00 0.00 C ATOM 0 H VAL A 22 -8.249 -11.438 2.293 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.435 -14.266 1.628 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.458 -12.976 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.381 -11.302 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.821 -10.789 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.900 -11.405 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.877 -13.687 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.419 -13.918 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.685 -14.932 0.788 1.00 0.00 H new ATOM 352 N ASP A 23 -7.970 -14.243 -0.863 1.00 0.00 N ATOM 353 CA ASP A 23 -7.436 -14.276 -2.221 1.00 0.00 C ATOM 354 C ASP A 23 -8.558 -14.311 -3.255 1.00 0.00 C ATOM 355 O ASP A 23 -9.649 -14.818 -2.988 1.00 0.00 O ATOM 356 CB ASP A 23 -6.517 -15.488 -2.402 1.00 0.00 C ATOM 357 CG ASP A 23 -5.763 -15.457 -3.719 1.00 0.00 C ATOM 358 OD1 ASP A 23 -5.263 -14.374 -4.097 1.00 0.00 O ATOM 359 OD2 ASP A 23 -5.669 -16.516 -4.373 1.00 0.00 O ATOM 0 H ASP A 23 -8.338 -15.136 -0.535 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.859 -13.364 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.803 -15.524 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.111 -16.401 -2.349 1.00 0.00 H new ATOM 364 N GLY A 24 -8.275 -13.772 -4.440 1.00 0.00 N ATOM 365 CA GLY A 24 -9.258 -13.748 -5.510 1.00 0.00 C ATOM 366 C GLY A 24 -8.789 -12.944 -6.709 1.00 0.00 C ATOM 367 O GLY A 24 -7.966 -13.418 -7.494 1.00 0.00 O ATOM 0 H GLY A 24 -7.377 -13.350 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.475 -14.769 -5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.190 -13.325 -5.134 1.00 0.00 H new ATOM 371 N ASP A 25 -9.309 -11.725 -6.848 1.00 0.00 N ATOM 372 CA ASP A 25 -8.936 -10.851 -7.962 1.00 0.00 C ATOM 373 C ASP A 25 -8.009 -9.721 -7.506 1.00 0.00 C ATOM 374 O ASP A 25 -7.213 -9.213 -8.297 1.00 0.00 O ATOM 375 CB ASP A 25 -10.188 -10.266 -8.620 1.00 0.00 C ATOM 376 CG ASP A 25 -10.670 -11.109 -9.784 1.00 0.00 C ATOM 377 OD1 ASP A 25 -11.472 -12.038 -9.552 1.00 0.00 O ATOM 378 OD2 ASP A 25 -10.243 -10.843 -10.927 1.00 0.00 O ATOM 0 H ASP A 25 -9.989 -11.320 -6.205 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.395 -11.457 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.983 -10.186 -7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.975 -9.256 -8.969 1.00 0.00 H new ATOM 383 N ALA A 26 -8.115 -9.330 -6.234 1.00 0.00 N ATOM 384 CA ALA A 26 -7.283 -8.259 -5.692 1.00 0.00 C ATOM 385 C ALA A 26 -5.800 -8.614 -5.770 1.00 0.00 C ATOM 386 O ALA A 26 -5.386 -9.691 -5.337 1.00 0.00 O ATOM 387 CB ALA A 26 -7.677 -7.955 -4.252 1.00 0.00 C ATOM 0 H ALA A 26 -8.767 -9.739 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.449 -7.369 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.047 -7.155 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.721 -7.644 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.545 -8.849 -3.642 1.00 0.00 H new ATOM 393 N THR A 27 -5.007 -7.698 -6.326 1.00 0.00 N ATOM 394 CA THR A 27 -3.567 -7.904 -6.465 1.00 0.00 C ATOM 395 C THR A 27 -2.785 -6.816 -5.735 1.00 0.00 C ATOM 396 O THR A 27 -3.369 -5.861 -5.216 1.00 0.00 O ATOM 397 CB THR A 27 -3.167 -7.940 -7.946 1.00 0.00 C ATOM 398 OG1 THR A 27 -4.194 -7.413 -8.768 1.00 0.00 O ATOM 399 CG2 THR A 27 -2.858 -9.336 -8.441 1.00 0.00 C ATOM 0 H THR A 27 -5.340 -6.804 -6.688 1.00 0.00 H new ATOM 0 HA THR A 27 -3.322 -8.865 -6.012 1.00 0.00 H new ATOM 0 HB THR A 27 -2.265 -7.331 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.912 -7.446 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.582 -9.296 -9.495 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.031 -9.752 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.738 -9.968 -8.321 1.00 0.00 H new ATOM 407 N VAL A 28 -1.462 -6.963 -5.702 1.00 0.00 N ATOM 408 CA VAL A 28 -0.602 -5.989 -5.041 1.00 0.00 C ATOM 409 C VAL A 28 -0.463 -4.745 -5.902 1.00 0.00 C ATOM 410 O VAL A 28 -0.478 -3.622 -5.396 1.00 0.00 O ATOM 411 CB VAL A 28 0.801 -6.562 -4.750 1.00 0.00 C ATOM 412 CG1 VAL A 28 1.581 -5.622 -3.838 1.00 0.00 C ATOM 413 CG2 VAL A 28 0.702 -7.952 -4.138 1.00 0.00 C ATOM 0 H VAL A 28 -0.965 -7.747 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.072 -5.737 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 28 1.339 -6.649 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.568 -6.041 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.688 -4.651 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.045 -5.501 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.703 -8.335 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.144 -7.899 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.188 -8.619 -4.830 1.00 0.00 H new ATOM 423 N GLY A 29 -0.349 -4.952 -7.213 1.00 0.00 N ATOM 424 CA GLY A 29 -0.230 -3.840 -8.126 1.00 0.00 C ATOM 425 C GLY A 29 -1.564 -3.152 -8.353 1.00 0.00 C ATOM 426 O GLY A 29 -1.614 -1.939 -8.571 1.00 0.00 O ATOM 0 H GLY A 29 -0.338 -5.872 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.487 -3.121 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.164 -4.193 -9.079 1.00 0.00 H new ATOM 430 N ASP A 30 -2.649 -3.934 -8.284 1.00 0.00 N ATOM 431 CA ASP A 30 -4.002 -3.408 -8.465 1.00 0.00 C ATOM 432 C ASP A 30 -4.278 -2.274 -7.475 1.00 0.00 C ATOM 433 O ASP A 30 -4.751 -1.204 -7.860 1.00 0.00 O ATOM 434 CB ASP A 30 -5.026 -4.534 -8.279 1.00 0.00 C ATOM 435 CG ASP A 30 -6.465 -4.041 -8.281 1.00 0.00 C ATOM 436 OD1 ASP A 30 -6.793 -3.148 -9.092 1.00 0.00 O ATOM 437 OD2 ASP A 30 -7.266 -4.554 -7.471 1.00 0.00 O ATOM 0 H ASP A 30 -2.612 -4.937 -8.103 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.089 -3.008 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.899 -5.267 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.826 -5.047 -7.338 1.00 0.00 H new ATOM 442 N ALA A 31 -3.962 -2.516 -6.202 1.00 0.00 N ATOM 443 CA ALA A 31 -4.157 -1.518 -5.154 1.00 0.00 C ATOM 444 C ALA A 31 -3.026 -0.490 -5.155 1.00 0.00 C ATOM 445 O ALA A 31 -3.222 0.653 -4.743 1.00 0.00 O ATOM 446 CB ALA A 31 -4.253 -2.190 -3.790 1.00 0.00 C ATOM 0 H ALA A 31 -3.569 -3.398 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.092 -0.997 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.398 -1.432 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.096 -2.880 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.333 -2.739 -3.589 1.00 0.00 H new ATOM 452 N LEU A 32 -1.847 -0.898 -5.631 1.00 0.00 N ATOM 453 CA LEU A 32 -0.698 -0.002 -5.692 1.00 0.00 C ATOM 454 C LEU A 32 -1.031 1.200 -6.560 1.00 0.00 C ATOM 455 O LEU A 32 -0.993 2.341 -6.100 1.00 0.00 O ATOM 456 CB LEU A 32 0.521 -0.734 -6.254 1.00 0.00 C ATOM 457 CG LEU A 32 1.814 0.085 -6.275 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.001 -0.781 -5.885 1.00 0.00 C ATOM 459 CD2 LEU A 32 2.035 0.710 -7.646 1.00 0.00 C ATOM 0 H LEU A 32 -1.667 -1.840 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.462 0.338 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.689 -1.635 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.296 -1.056 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 32 1.720 0.889 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.911 -0.182 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.849 -1.176 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.095 -1.608 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.959 1.287 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.105 -0.077 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.199 1.367 -7.885 1.00 0.00 H new ATOM 471 N ASP A 33 -1.380 0.921 -7.814 1.00 0.00 N ATOM 472 CA ASP A 33 -1.750 1.961 -8.764 1.00 0.00 C ATOM 473 C ASP A 33 -2.955 2.733 -8.249 1.00 0.00 C ATOM 474 O ASP A 33 -2.994 3.956 -8.333 1.00 0.00 O ATOM 475 CB ASP A 33 -2.077 1.349 -10.125 1.00 0.00 C ATOM 476 CG ASP A 33 -2.100 2.378 -11.244 1.00 0.00 C ATOM 477 OD1 ASP A 33 -2.727 3.442 -11.070 1.00 0.00 O ATOM 478 OD2 ASP A 33 -1.487 2.118 -12.297 1.00 0.00 O ATOM 0 H ASP A 33 -1.413 -0.024 -8.195 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.906 2.642 -8.876 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.340 0.581 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.047 0.855 -10.072 1.00 0.00 H new ATOM 483 N ALA A 34 -3.935 2.005 -7.708 1.00 0.00 N ATOM 484 CA ALA A 34 -5.140 2.624 -7.169 1.00 0.00 C ATOM 485 C ALA A 34 -4.771 3.712 -6.167 1.00 0.00 C ATOM 486 O ALA A 34 -5.154 4.871 -6.327 1.00 0.00 O ATOM 487 CB ALA A 34 -6.035 1.576 -6.520 1.00 0.00 C ATOM 0 H ALA A 34 -3.914 0.988 -7.633 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.693 3.082 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.929 2.057 -6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.322 0.832 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.495 1.088 -5.708 1.00 0.00 H new ATOM 493 N LEU A 35 -3.999 3.329 -5.152 1.00 0.00 N ATOM 494 CA LEU A 35 -3.549 4.266 -4.127 1.00 0.00 C ATOM 495 C LEU A 35 -2.679 5.366 -4.741 1.00 0.00 C ATOM 496 O LEU A 35 -2.655 6.493 -4.245 1.00 0.00 O ATOM 497 CB LEU A 35 -2.778 3.519 -3.034 1.00 0.00 C ATOM 498 CG LEU A 35 -3.638 2.934 -1.906 1.00 0.00 C ATOM 499 CD1 LEU A 35 -4.807 2.130 -2.466 1.00 0.00 C ATOM 500 CD2 LEU A 35 -2.789 2.066 -0.993 1.00 0.00 C ATOM 0 H LEU A 35 -3.672 2.372 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.424 4.737 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.217 2.708 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.049 4.201 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.046 3.763 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.399 1.728 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.433 2.777 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.426 1.310 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.412 1.657 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.354 1.249 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.992 2.668 -0.557 1.00 0.00 H new ATOM 512 N VAL A 36 -1.975 5.037 -5.826 1.00 0.00 N ATOM 513 CA VAL A 36 -1.119 6.008 -6.503 1.00 0.00 C ATOM 514 C VAL A 36 -1.953 7.013 -7.299 1.00 0.00 C ATOM 515 O VAL A 36 -1.796 8.222 -7.134 1.00 0.00 O ATOM 516 CB VAL A 36 -0.102 5.326 -7.448 1.00 0.00 C ATOM 517 CG1 VAL A 36 0.685 6.369 -8.230 1.00 0.00 C ATOM 518 CG2 VAL A 36 0.840 4.421 -6.662 1.00 0.00 C ATOM 0 H VAL A 36 -1.982 4.110 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.566 6.532 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.654 4.710 -8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.395 5.870 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.001 6.972 -8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.225 7.013 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.547 3.951 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.385 5.013 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.262 3.651 -6.151 1.00 0.00 H new ATOM 528 N GLY A 37 -2.833 6.509 -8.167 1.00 0.00 N ATOM 529 CA GLY A 37 -3.660 7.404 -8.974 1.00 0.00 C ATOM 530 C GLY A 37 -4.794 6.719 -9.731 1.00 0.00 C ATOM 531 O GLY A 37 -5.372 7.315 -10.642 1.00 0.00 O ATOM 0 H GLY A 37 -2.988 5.514 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.086 8.168 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.021 7.917 -9.692 1.00 0.00 H new ATOM 535 N ALA A 38 -5.129 5.480 -9.360 1.00 0.00 N ATOM 536 CA ALA A 38 -6.209 4.750 -10.020 1.00 0.00 C ATOM 537 C ALA A 38 -7.470 4.690 -9.145 1.00 0.00 C ATOM 538 O ALA A 38 -8.489 4.134 -9.556 1.00 0.00 O ATOM 539 CB ALA A 38 -5.749 3.349 -10.398 1.00 0.00 C ATOM 0 H ALA A 38 -4.669 4.965 -8.609 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.468 5.291 -10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.565 2.818 -10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.899 3.416 -11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.453 2.808 -9.499 1.00 0.00 H new ATOM 545 N HIS A 39 -7.396 5.267 -7.942 1.00 0.00 N ATOM 546 CA HIS A 39 -8.523 5.280 -7.023 1.00 0.00 C ATOM 547 C HIS A 39 -8.651 6.650 -6.362 1.00 0.00 C ATOM 548 O HIS A 39 -8.301 6.825 -5.193 1.00 0.00 O ATOM 549 CB HIS A 39 -8.362 4.184 -5.963 1.00 0.00 C ATOM 550 CG HIS A 39 -9.287 3.024 -6.157 1.00 0.00 C ATOM 551 ND1 HIS A 39 -10.347 2.759 -5.317 1.00 0.00 N ATOM 552 CD2 HIS A 39 -9.305 2.053 -7.102 1.00 0.00 C ATOM 553 CE1 HIS A 39 -10.978 1.674 -5.736 1.00 0.00 C ATOM 554 NE2 HIS A 39 -10.365 1.228 -6.816 1.00 0.00 N ATOM 0 H HIS A 39 -6.560 5.732 -7.587 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.434 5.081 -7.587 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.333 3.824 -5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.535 4.615 -4.977 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.615 1.948 -7.926 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.847 1.229 -5.273 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.635 0.403 -7.352 1.00 0.00 H new ATOM 563 N PRO A 40 -9.158 7.647 -7.115 1.00 0.00 N ATOM 564 CA PRO A 40 -9.338 9.020 -6.612 1.00 0.00 C ATOM 565 C PRO A 40 -10.148 9.087 -5.312 1.00 0.00 C ATOM 566 O PRO A 40 -10.151 10.116 -4.640 1.00 0.00 O ATOM 567 CB PRO A 40 -10.091 9.713 -7.749 1.00 0.00 C ATOM 568 CG PRO A 40 -9.710 8.950 -8.966 1.00 0.00 C ATOM 569 CD PRO A 40 -9.593 7.522 -8.520 1.00 0.00 C ATOM 0 HA PRO A 40 -8.384 9.482 -6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.168 9.687 -7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.806 10.762 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.461 9.057 -9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.768 9.312 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.543 6.994 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.869 6.970 -9.119 1.00 0.00 H new ATOM 577 N ALA A 41 -10.825 7.986 -4.961 1.00 0.00 N ATOM 578 CA ALA A 41 -11.621 7.930 -3.734 1.00 0.00 C ATOM 579 C ALA A 41 -10.800 8.356 -2.512 1.00 0.00 C ATOM 580 O ALA A 41 -11.351 8.867 -1.541 1.00 0.00 O ATOM 581 CB ALA A 41 -12.179 6.529 -3.528 1.00 0.00 C ATOM 0 H ALA A 41 -10.836 7.126 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.448 8.631 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.769 6.503 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.812 6.261 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.357 5.818 -3.450 1.00 0.00 H new ATOM 587 N LEU A 42 -9.480 8.139 -2.567 1.00 0.00 N ATOM 588 CA LEU A 42 -8.593 8.507 -1.461 1.00 0.00 C ATOM 589 C LEU A 42 -7.853 9.827 -1.732 1.00 0.00 C ATOM 590 O LEU A 42 -7.252 10.397 -0.822 1.00 0.00 O ATOM 591 CB LEU A 42 -7.567 7.400 -1.194 1.00 0.00 C ATOM 592 CG LEU A 42 -8.110 5.966 -1.191 1.00 0.00 C ATOM 593 CD1 LEU A 42 -7.671 5.224 -2.447 1.00 0.00 C ATOM 594 CD2 LEU A 42 -7.646 5.228 0.056 1.00 0.00 C ATOM 0 H LEU A 42 -9.006 7.712 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.225 8.640 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.783 7.469 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.098 7.592 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.199 6.008 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.066 4.208 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.050 5.743 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.582 5.189 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.039 4.211 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.557 5.196 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.009 5.748 0.943 1.00 0.00 H new ATOM 606 N GLU A 43 -7.887 10.309 -2.979 1.00 0.00 N ATOM 607 CA GLU A 43 -7.202 11.555 -3.337 1.00 0.00 C ATOM 608 C GLU A 43 -8.153 12.548 -4.007 1.00 0.00 C ATOM 609 O GLU A 43 -8.576 12.342 -5.147 1.00 0.00 O ATOM 610 CB GLU A 43 -6.027 11.262 -4.273 1.00 0.00 C ATOM 611 CG GLU A 43 -5.034 10.250 -3.717 1.00 0.00 C ATOM 612 CD GLU A 43 -3.594 10.671 -3.932 1.00 0.00 C ATOM 613 OE1 GLU A 43 -3.065 11.427 -3.091 1.00 0.00 O ATOM 614 OE2 GLU A 43 -2.997 10.247 -4.943 1.00 0.00 O ATOM 0 H GLU A 43 -8.378 9.859 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.834 12.004 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.415 10.892 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.502 12.194 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.215 10.117 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.201 9.283 -4.192 1.00 0.00 H new ATOM 621 N SER A 44 -8.478 13.634 -3.298 1.00 0.00 N ATOM 622 CA SER A 44 -9.373 14.665 -3.830 1.00 0.00 C ATOM 623 C SER A 44 -8.590 15.749 -4.573 1.00 0.00 C ATOM 624 O SER A 44 -9.021 16.216 -5.627 1.00 0.00 O ATOM 625 CB SER A 44 -10.193 15.306 -2.707 1.00 0.00 C ATOM 626 OG SER A 44 -10.592 14.345 -1.746 1.00 0.00 O ATOM 0 H SER A 44 -8.135 13.821 -2.356 1.00 0.00 H new ATOM 0 HA SER A 44 -10.049 14.178 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.603 16.084 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.074 15.789 -3.128 1.00 0.00 H new ATOM 0 HG SER A 44 -11.112 14.784 -1.041 1.00 0.00 H new ATOM 632 N ARG A 45 -7.445 16.149 -4.009 1.00 0.00 N ATOM 633 CA ARG A 45 -6.601 17.186 -4.608 1.00 0.00 C ATOM 634 C ARG A 45 -7.350 18.519 -4.673 1.00 0.00 C ATOM 635 O ARG A 45 -7.838 18.919 -5.732 1.00 0.00 O ATOM 636 CB ARG A 45 -6.132 16.764 -6.008 1.00 0.00 C ATOM 637 CG ARG A 45 -5.018 15.730 -5.993 1.00 0.00 C ATOM 638 CD ARG A 45 -4.599 15.333 -7.402 1.00 0.00 C ATOM 639 NE ARG A 45 -3.217 15.721 -7.698 1.00 0.00 N ATOM 640 CZ ARG A 45 -2.497 15.219 -8.706 1.00 0.00 C ATOM 641 NH1 ARG A 45 -3.023 14.314 -9.530 1.00 0.00 N ATOM 642 NH2 ARG A 45 -1.248 15.628 -8.896 1.00 0.00 N ATOM 0 H ARG A 45 -7.082 15.768 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.722 17.315 -3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.981 16.362 -6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.789 17.647 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.158 16.130 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.350 14.846 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.705 14.255 -7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.269 15.801 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.777 16.418 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.983 13.998 -9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.465 13.937 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.839 16.324 -8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.698 15.246 -9.665 1.00 0.00 H new ATOM 656 N VAL A 46 -7.442 19.197 -3.527 1.00 0.00 N ATOM 657 CA VAL A 46 -8.136 20.481 -3.442 1.00 0.00 C ATOM 658 C VAL A 46 -7.172 21.649 -3.654 1.00 0.00 C ATOM 659 O VAL A 46 -7.272 22.366 -4.651 1.00 0.00 O ATOM 660 CB VAL A 46 -8.854 20.651 -2.083 1.00 0.00 C ATOM 661 CG1 VAL A 46 -9.744 21.885 -2.093 1.00 0.00 C ATOM 662 CG2 VAL A 46 -9.664 19.406 -1.744 1.00 0.00 C ATOM 0 H VAL A 46 -7.043 18.876 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.882 20.486 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.095 20.786 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.239 21.984 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.137 22.770 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.495 21.786 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.161 19.546 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.412 19.236 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.999 18.544 -1.686 1.00 0.00 H new ATOM 672 N PHE A 47 -6.240 21.838 -2.717 1.00 0.00 N ATOM 673 CA PHE A 47 -5.263 22.921 -2.813 1.00 0.00 C ATOM 674 C PHE A 47 -3.867 22.423 -2.449 1.00 0.00 C ATOM 675 O PHE A 47 -3.370 22.677 -1.349 1.00 0.00 O ATOM 676 CB PHE A 47 -5.663 24.088 -1.900 1.00 0.00 C ATOM 677 CG PHE A 47 -6.486 25.144 -2.586 1.00 0.00 C ATOM 678 CD1 PHE A 47 -7.766 24.861 -3.038 1.00 0.00 C ATOM 679 CD2 PHE A 47 -5.982 26.422 -2.774 1.00 0.00 C ATOM 680 CE1 PHE A 47 -8.525 25.831 -3.664 1.00 0.00 C ATOM 681 CE2 PHE A 47 -6.735 27.394 -3.402 1.00 0.00 C ATOM 682 CZ PHE A 47 -8.009 27.099 -3.848 1.00 0.00 C ATOM 0 H PHE A 47 -6.143 21.256 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.247 23.273 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.225 23.697 -1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.760 24.549 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.174 23.871 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.988 26.660 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.521 25.598 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.328 28.384 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.600 27.858 -4.339 1.00 0.00 H new ATOM 692 N GLY A 48 -3.241 21.706 -3.382 1.00 0.00 N ATOM 693 CA GLY A 48 -1.909 21.176 -3.147 1.00 0.00 C ATOM 694 C GLY A 48 -1.912 20.022 -2.162 1.00 0.00 C ATOM 695 O GLY A 48 -1.974 18.858 -2.561 1.00 0.00 O ATOM 0 H GLY A 48 -3.634 21.483 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.482 20.842 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.266 21.971 -2.769 1.00 0.00 H new ATOM 699 N ASP A 49 -1.847 20.350 -0.872 1.00 0.00 N ATOM 700 CA ASP A 49 -1.842 19.339 0.181 1.00 0.00 C ATOM 701 C ASP A 49 -2.549 19.854 1.433 1.00 0.00 C ATOM 702 O ASP A 49 -2.766 21.059 1.584 1.00 0.00 O ATOM 703 CB ASP A 49 -0.403 18.940 0.530 1.00 0.00 C ATOM 704 CG ASP A 49 0.114 17.799 -0.323 1.00 0.00 C ATOM 705 OD1 ASP A 49 -0.126 16.630 0.040 1.00 0.00 O ATOM 706 OD2 ASP A 49 0.766 18.076 -1.353 1.00 0.00 O ATOM 0 H ASP A 49 -1.797 21.310 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.378 18.465 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.249 19.805 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.355 18.653 1.580 1.00 0.00 H new ATOM 711 N ASP A 50 -2.899 18.935 2.330 1.00 0.00 N ATOM 712 CA ASP A 50 -3.575 19.296 3.576 1.00 0.00 C ATOM 713 C ASP A 50 -2.698 18.970 4.790 1.00 0.00 C ATOM 714 O ASP A 50 -3.206 18.646 5.867 1.00 0.00 O ATOM 715 CB ASP A 50 -4.919 18.570 3.682 1.00 0.00 C ATOM 716 CG ASP A 50 -5.934 19.074 2.673 1.00 0.00 C ATOM 717 OD1 ASP A 50 -6.559 20.124 2.934 1.00 0.00 O ATOM 718 OD2 ASP A 50 -6.100 18.423 1.620 1.00 0.00 O ATOM 0 H ASP A 50 -2.726 17.936 2.219 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.755 20.371 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.764 17.501 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.318 18.697 4.688 1.00 0.00 H new ATOM 723 N GLY A 51 -1.376 19.065 4.614 1.00 0.00 N ATOM 724 CA GLY A 51 -0.455 18.780 5.704 1.00 0.00 C ATOM 725 C GLY A 51 1.000 18.964 5.308 1.00 0.00 C ATOM 726 O GLY A 51 1.674 17.996 4.953 1.00 0.00 O ATOM 0 H GLY A 51 -0.930 19.334 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.683 19.433 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.608 17.756 6.044 1.00 0.00 H new ATOM 730 N GLU A 52 1.483 20.206 5.370 1.00 0.00 N ATOM 731 CA GLU A 52 2.868 20.513 5.012 1.00 0.00 C ATOM 732 C GLU A 52 3.811 20.304 6.201 1.00 0.00 C ATOM 733 O GLU A 52 3.575 20.827 7.292 1.00 0.00 O ATOM 734 CB GLU A 52 2.984 21.951 4.491 1.00 0.00 C ATOM 735 CG GLU A 52 2.438 23.008 5.445 1.00 0.00 C ATOM 736 CD GLU A 52 3.347 24.217 5.554 1.00 0.00 C ATOM 737 OE1 GLU A 52 3.179 25.159 4.750 1.00 0.00 O ATOM 738 OE2 GLU A 52 4.226 24.223 6.440 1.00 0.00 O ATOM 0 H GLU A 52 0.936 21.015 5.665 1.00 0.00 H new ATOM 0 HA GLU A 52 3.165 19.826 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.033 22.168 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.453 22.025 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.453 23.327 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.305 22.567 6.433 1.00 0.00 H new ATOM 745 N LEU A 53 4.878 19.531 5.977 1.00 0.00 N ATOM 746 CA LEU A 53 5.865 19.243 7.022 1.00 0.00 C ATOM 747 C LEU A 53 7.094 18.534 6.438 1.00 0.00 C ATOM 748 O LEU A 53 7.033 17.974 5.343 1.00 0.00 O ATOM 749 CB LEU A 53 5.239 18.376 8.119 1.00 0.00 C ATOM 750 CG LEU A 53 5.953 18.423 9.475 1.00 0.00 C ATOM 751 CD1 LEU A 53 4.954 18.644 10.599 1.00 0.00 C ATOM 752 CD2 LEU A 53 6.742 17.142 9.704 1.00 0.00 C ATOM 0 H LEU A 53 5.081 19.092 5.079 1.00 0.00 H new ATOM 0 HA LEU A 53 6.185 20.192 7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.204 18.688 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.216 17.342 7.774 1.00 0.00 H new ATOM 0 HG LEU A 53 6.650 19.261 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.480 18.674 11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.433 19.588 10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.231 17.828 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.243 17.191 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.063 16.289 9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.486 17.027 8.915 1.00 0.00 H new ATOM 764 N TYR A 54 8.204 18.560 7.181 1.00 0.00 N ATOM 765 CA TYR A 54 9.440 17.915 6.741 1.00 0.00 C ATOM 766 C TYR A 54 9.647 16.581 7.460 1.00 0.00 C ATOM 767 O TYR A 54 9.870 16.549 8.671 1.00 0.00 O ATOM 768 CB TYR A 54 10.643 18.835 6.985 1.00 0.00 C ATOM 769 CG TYR A 54 11.475 19.084 5.746 1.00 0.00 C ATOM 770 CD1 TYR A 54 12.494 18.213 5.379 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.237 20.191 4.939 1.00 0.00 C ATOM 772 CE1 TYR A 54 13.252 18.438 4.246 1.00 0.00 C ATOM 773 CE2 TYR A 54 11.991 20.423 3.804 1.00 0.00 C ATOM 774 CZ TYR A 54 12.995 19.542 3.461 1.00 0.00 C ATOM 775 OH TYR A 54 13.749 19.769 2.332 1.00 0.00 O ATOM 0 H TYR A 54 8.270 19.021 8.089 1.00 0.00 H new ATOM 0 HA TYR A 54 9.355 17.721 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.287 19.790 7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.276 18.395 7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.697 17.346 5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.450 20.881 5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.042 17.753 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.795 21.289 3.189 1.00 0.00 H new ATOM 0 HH TYR A 54 13.439 20.587 1.891 1.00 0.00 H new ATOM 785 N ASP A 55 9.566 15.485 6.705 1.00 0.00 N ATOM 786 CA ASP A 55 9.739 14.146 7.268 1.00 0.00 C ATOM 787 C ASP A 55 10.471 13.226 6.291 1.00 0.00 C ATOM 788 O ASP A 55 10.427 13.433 5.077 1.00 0.00 O ATOM 789 CB ASP A 55 8.377 13.545 7.627 1.00 0.00 C ATOM 790 CG ASP A 55 8.247 13.259 9.111 1.00 0.00 C ATOM 791 OD1 ASP A 55 7.841 14.173 9.857 1.00 0.00 O ATOM 792 OD2 ASP A 55 8.551 12.121 9.525 1.00 0.00 O ATOM 0 H ASP A 55 9.382 15.498 5.702 1.00 0.00 H new ATOM 0 HA ASP A 55 10.343 14.236 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.587 14.231 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.231 12.621 7.067 1.00 0.00 H new ATOM 797 N HIS A 56 11.142 12.206 6.830 1.00 0.00 N ATOM 798 CA HIS A 56 11.880 11.252 6.005 1.00 0.00 C ATOM 799 C HIS A 56 11.626 9.814 6.457 1.00 0.00 C ATOM 800 O HIS A 56 12.188 9.356 7.453 1.00 0.00 O ATOM 801 CB HIS A 56 13.380 11.558 6.048 1.00 0.00 C ATOM 802 CG HIS A 56 14.114 11.147 4.805 1.00 0.00 C ATOM 803 ND1 HIS A 56 13.859 9.972 4.129 1.00 0.00 N ATOM 804 CD2 HIS A 56 15.102 11.766 4.115 1.00 0.00 C ATOM 805 CE1 HIS A 56 14.656 9.886 3.080 1.00 0.00 C ATOM 806 NE2 HIS A 56 15.421 10.961 3.049 1.00 0.00 N ATOM 0 H HIS A 56 11.189 12.021 7.832 1.00 0.00 H new ATOM 0 HA HIS A 56 11.524 11.354 4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 56 13.520 12.628 6.205 1.00 0.00 H new ATOM 0 HB3 HIS A 56 13.821 11.050 6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 56 15.555 12.716 4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.678 9.074 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 56 16.134 11.161 2.347 1.00 0.00 H new ATOM 815 N ILE A 57 10.783 9.104 5.707 1.00 0.00 N ATOM 816 CA ILE A 57 10.456 7.711 6.014 1.00 0.00 C ATOM 817 C ILE A 57 10.568 6.835 4.767 1.00 0.00 C ATOM 818 O ILE A 57 11.210 5.783 4.794 1.00 0.00 O ATOM 819 CB ILE A 57 9.033 7.567 6.603 1.00 0.00 C ATOM 820 CG1 ILE A 57 8.778 8.628 7.678 1.00 0.00 C ATOM 821 CG2 ILE A 57 8.841 6.172 7.182 1.00 0.00 C ATOM 822 CD1 ILE A 57 8.006 9.826 7.172 1.00 0.00 C ATOM 0 H ILE A 57 10.313 9.472 4.880 1.00 0.00 H new ATOM 0 HA ILE A 57 11.178 7.380 6.761 1.00 0.00 H new ATOM 0 HB ILE A 57 8.313 7.717 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.229 8.174 8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.734 8.965 8.079 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.835 6.084 7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.978 5.430 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.572 6.002 7.972 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.862 10.536 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.564 10.305 6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.035 9.502 6.797 1.00 0.00 H new ATOM 834 N ASN A 58 9.937 7.277 3.673 1.00 0.00 N ATOM 835 CA ASN A 58 9.960 6.543 2.407 1.00 0.00 C ATOM 836 C ASN A 58 9.202 5.214 2.522 1.00 0.00 C ATOM 837 O ASN A 58 8.471 4.990 3.492 1.00 0.00 O ATOM 838 CB ASN A 58 11.410 6.302 1.956 1.00 0.00 C ATOM 839 CG ASN A 58 11.771 7.090 0.709 1.00 0.00 C ATOM 840 OD1 ASN A 58 12.775 7.802 0.682 1.00 0.00 O ATOM 841 ND2 ASN A 58 10.956 6.968 -0.335 1.00 0.00 N ATOM 0 H ASN A 58 9.402 8.145 3.642 1.00 0.00 H new ATOM 0 HA ASN A 58 9.456 7.150 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.088 6.576 2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.555 5.239 1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.153 7.475 -1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.134 6.368 -0.273 1.00 0.00 H new ATOM 848 N VAL A 59 9.374 4.337 1.528 1.00 0.00 N ATOM 849 CA VAL A 59 8.709 3.044 1.519 1.00 0.00 C ATOM 850 C VAL A 59 9.567 1.979 2.198 1.00 0.00 C ATOM 851 O VAL A 59 10.796 2.069 2.198 1.00 0.00 O ATOM 852 CB VAL A 59 8.385 2.583 0.083 1.00 0.00 C ATOM 853 CG1 VAL A 59 7.178 3.327 -0.465 1.00 0.00 C ATOM 854 CG2 VAL A 59 9.587 2.757 -0.837 1.00 0.00 C ATOM 0 H VAL A 59 9.972 4.506 0.719 1.00 0.00 H new ATOM 0 HA VAL A 59 7.778 3.167 2.072 1.00 0.00 H new ATOM 0 HB VAL A 59 8.144 1.521 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.969 2.985 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.313 3.133 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.386 4.397 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.327 2.423 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.874 3.808 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.421 2.164 -0.462 1.00 0.00 H new ATOM 864 N LEU A 60 8.914 0.969 2.773 1.00 0.00 N ATOM 865 CA LEU A 60 9.622 -0.110 3.452 1.00 0.00 C ATOM 866 C LEU A 60 9.140 -1.475 2.975 1.00 0.00 C ATOM 867 O LEU A 60 7.985 -1.635 2.574 1.00 0.00 O ATOM 868 CB LEU A 60 9.452 0.005 4.969 1.00 0.00 C ATOM 869 CG LEU A 60 10.665 -0.446 5.789 1.00 0.00 C ATOM 870 CD1 LEU A 60 11.939 0.210 5.272 1.00 0.00 C ATOM 871 CD2 LEU A 60 10.461 -0.131 7.265 1.00 0.00 C ATOM 0 H LEU A 60 7.898 0.878 2.781 1.00 0.00 H new ATOM 0 HA LEU A 60 10.680 -0.017 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.229 1.043 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.588 -0.588 5.269 1.00 0.00 H new ATOM 0 HG LEU A 60 10.769 -1.526 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.788 -0.124 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.095 -0.069 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.847 1.293 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.333 -0.459 7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.328 0.943 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.575 -0.652 7.629 1.00 0.00 H new ATOM 883 N ARG A 61 10.039 -2.458 3.019 1.00 0.00 N ATOM 884 CA ARG A 61 9.724 -3.819 2.592 1.00 0.00 C ATOM 885 C ARG A 61 10.421 -4.846 3.482 1.00 0.00 C ATOM 886 O ARG A 61 11.529 -4.609 3.960 1.00 0.00 O ATOM 887 CB ARG A 61 10.140 -4.031 1.134 1.00 0.00 C ATOM 888 CG ARG A 61 9.111 -3.541 0.131 1.00 0.00 C ATOM 889 CD ARG A 61 9.734 -2.621 -0.905 1.00 0.00 C ATOM 890 NE ARG A 61 8.743 -1.734 -1.514 1.00 0.00 N ATOM 891 CZ ARG A 61 9.051 -0.634 -2.200 1.00 0.00 C ATOM 892 NH1 ARG A 61 10.323 -0.280 -2.372 1.00 0.00 N ATOM 893 NH2 ARG A 61 8.086 0.117 -2.718 1.00 0.00 N ATOM 0 H ARG A 61 10.996 -2.335 3.348 1.00 0.00 H new ATOM 0 HA ARG A 61 8.646 -3.957 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.083 -3.515 0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.321 -5.093 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.653 -4.395 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.314 -3.013 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.516 -2.024 -0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.211 -3.219 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 61 7.757 -1.972 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.069 -0.852 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.551 0.563 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.109 -0.148 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.321 0.959 -3.243 1.00 0.00 H new ATOM 907 N ASN A 62 9.763 -5.990 3.700 1.00 0.00 N ATOM 908 CA ASN A 62 10.325 -7.062 4.533 1.00 0.00 C ATOM 909 C ASN A 62 11.744 -7.455 4.085 1.00 0.00 C ATOM 910 O ASN A 62 12.508 -8.028 4.865 1.00 0.00 O ATOM 911 CB ASN A 62 9.409 -8.296 4.520 1.00 0.00 C ATOM 912 CG ASN A 62 9.169 -8.844 3.122 1.00 0.00 C ATOM 913 OD1 ASN A 62 10.110 -9.090 2.371 1.00 0.00 O ATOM 914 ND2 ASN A 62 7.903 -9.043 2.765 1.00 0.00 N ATOM 0 H ASN A 62 8.843 -6.198 3.313 1.00 0.00 H new ATOM 0 HA ASN A 62 10.391 -6.676 5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.851 -9.076 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.452 -8.036 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.686 -9.412 1.839 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.149 -8.826 3.417 1.00 0.00 H new ATOM 921 N GLY A 63 12.088 -7.145 2.829 1.00 0.00 N ATOM 922 CA GLY A 63 13.406 -7.474 2.307 1.00 0.00 C ATOM 923 C GLY A 63 13.362 -8.551 1.231 1.00 0.00 C ATOM 924 O GLY A 63 14.352 -9.249 1.006 1.00 0.00 O ATOM 0 H GLY A 63 11.474 -6.671 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.864 -6.574 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.043 -7.810 3.125 1.00 0.00 H new ATOM 928 N GLU A 64 12.208 -8.690 0.572 1.00 0.00 N ATOM 929 CA GLU A 64 12.028 -9.690 -0.477 1.00 0.00 C ATOM 930 C GLU A 64 11.431 -9.056 -1.732 1.00 0.00 C ATOM 931 O GLU A 64 10.935 -7.929 -1.693 1.00 0.00 O ATOM 932 CB GLU A 64 11.119 -10.817 0.026 1.00 0.00 C ATOM 933 CG GLU A 64 11.489 -12.195 -0.505 1.00 0.00 C ATOM 934 CD GLU A 64 10.707 -12.582 -1.749 1.00 0.00 C ATOM 935 OE1 GLU A 64 9.489 -12.307 -1.802 1.00 0.00 O ATOM 936 OE2 GLU A 64 11.313 -13.162 -2.672 1.00 0.00 O ATOM 0 H GLU A 64 11.382 -8.118 0.750 1.00 0.00 H new ATOM 0 HA GLU A 64 13.004 -10.103 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.152 -10.838 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.090 -10.594 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.555 -12.217 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.313 -12.937 0.273 1.00 0.00 H new ATOM 943 N ALA A 65 11.487 -9.788 -2.847 1.00 0.00 N ATOM 944 CA ALA A 65 10.953 -9.302 -4.117 1.00 0.00 C ATOM 945 C ALA A 65 9.471 -8.949 -3.996 1.00 0.00 C ATOM 946 O ALA A 65 8.648 -9.794 -3.640 1.00 0.00 O ATOM 947 CB ALA A 65 11.163 -10.337 -5.214 1.00 0.00 C ATOM 0 H ALA A 65 11.898 -10.720 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 65 11.495 -8.394 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.759 -9.959 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.229 -10.533 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.651 -11.261 -4.945 1.00 0.00 H new ATOM 953 N ALA A 66 9.139 -7.693 -4.294 1.00 0.00 N ATOM 954 CA ALA A 66 7.756 -7.224 -4.217 1.00 0.00 C ATOM 955 C ALA A 66 6.882 -7.894 -5.272 1.00 0.00 C ATOM 956 O ALA A 66 7.328 -8.152 -6.392 1.00 0.00 O ATOM 957 CB ALA A 66 7.688 -5.711 -4.381 1.00 0.00 C ATOM 0 H ALA A 66 9.808 -6.983 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 66 7.377 -7.494 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.650 -5.385 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.265 -5.233 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.100 -5.431 -5.351 1.00 0.00 H new ATOM 963 N ALA A 67 5.628 -8.158 -4.913 1.00 0.00 N ATOM 964 CA ALA A 67 4.683 -8.782 -5.831 1.00 0.00 C ATOM 965 C ALA A 67 3.885 -7.723 -6.588 1.00 0.00 C ATOM 966 O ALA A 67 4.111 -6.524 -6.423 1.00 0.00 O ATOM 967 CB ALA A 67 3.747 -9.720 -5.081 1.00 0.00 C ATOM 0 H ALA A 67 5.244 -7.949 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 67 5.249 -9.367 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.049 -10.176 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.330 -10.500 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.191 -9.157 -4.331 1.00 0.00 H new ATOM 973 N LEU A 68 2.953 -8.176 -7.422 1.00 0.00 N ATOM 974 CA LEU A 68 2.120 -7.273 -8.212 1.00 0.00 C ATOM 975 C LEU A 68 0.965 -8.033 -8.858 1.00 0.00 C ATOM 976 O LEU A 68 -0.193 -7.630 -8.741 1.00 0.00 O ATOM 977 CB LEU A 68 2.970 -6.577 -9.280 1.00 0.00 C ATOM 978 CG LEU A 68 2.390 -5.272 -9.835 1.00 0.00 C ATOM 979 CD1 LEU A 68 3.471 -4.471 -10.544 1.00 0.00 C ATOM 980 CD2 LEU A 68 1.228 -5.554 -10.779 1.00 0.00 C ATOM 0 H LEU A 68 2.755 -9.166 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 68 1.699 -6.516 -7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.953 -6.367 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.120 -7.269 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 68 2.013 -4.683 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.043 -3.547 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.269 -4.234 -9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.877 -5.058 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.832 -4.613 -11.160 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.576 -6.165 -11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.443 -6.086 -10.241 1.00 0.00 H new ATOM 992 N GLY A 69 1.288 -9.139 -9.532 1.00 0.00 N ATOM 993 CA GLY A 69 0.268 -9.949 -10.183 1.00 0.00 C ATOM 994 C GLY A 69 -0.232 -11.087 -9.306 1.00 0.00 C ATOM 995 O GLY A 69 -0.711 -12.101 -9.819 1.00 0.00 O ATOM 0 H GLY A 69 2.240 -9.488 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.573 -9.313 -10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.673 -10.360 -11.108 1.00 0.00 H new ATOM 999 N GLU A 70 -0.124 -10.922 -7.982 1.00 0.00 N ATOM 1000 CA GLU A 70 -0.573 -11.941 -7.038 1.00 0.00 C ATOM 1001 C GLU A 70 -0.526 -11.416 -5.602 1.00 0.00 C ATOM 1002 O GLU A 70 0.524 -11.440 -4.958 1.00 0.00 O ATOM 1003 CB GLU A 70 0.289 -13.203 -7.158 1.00 0.00 C ATOM 1004 CG GLU A 70 -0.512 -14.494 -7.075 1.00 0.00 C ATOM 1005 CD GLU A 70 0.302 -15.648 -6.525 1.00 0.00 C ATOM 1006 OE1 GLU A 70 0.696 -15.586 -5.341 1.00 0.00 O ATOM 1007 OE2 GLU A 70 0.548 -16.612 -7.278 1.00 0.00 O ATOM 0 H GLU A 70 0.272 -10.090 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.605 -12.191 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.826 -13.178 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.039 -13.198 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.385 -14.336 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.880 -14.754 -8.068 1.00 0.00 H new ATOM 1014 N ALA A 71 -1.671 -10.945 -5.107 1.00 0.00 N ATOM 1015 CA ALA A 71 -1.764 -10.421 -3.743 1.00 0.00 C ATOM 1016 C ALA A 71 -1.350 -11.469 -2.704 1.00 0.00 C ATOM 1017 O ALA A 71 -0.891 -11.121 -1.616 1.00 0.00 O ATOM 1018 CB ALA A 71 -3.176 -9.929 -3.457 1.00 0.00 C ATOM 0 H ALA A 71 -2.547 -10.915 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.071 -9.583 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.228 -9.543 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.434 -9.136 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.879 -10.755 -3.568 1.00 0.00 H new ATOM 1024 N THR A 72 -1.510 -12.752 -3.046 1.00 0.00 N ATOM 1025 CA THR A 72 -1.148 -13.841 -2.139 1.00 0.00 C ATOM 1026 C THR A 72 0.302 -14.297 -2.357 1.00 0.00 C ATOM 1027 O THR A 72 0.620 -15.478 -2.206 1.00 0.00 O ATOM 1028 CB THR A 72 -2.105 -15.027 -2.325 1.00 0.00 C ATOM 1029 OG1 THR A 72 -2.520 -15.141 -3.681 1.00 0.00 O ATOM 1030 CG2 THR A 72 -3.346 -14.936 -1.459 1.00 0.00 C ATOM 0 H THR A 72 -1.887 -13.059 -3.943 1.00 0.00 H new ATOM 0 HA THR A 72 -1.233 -13.466 -1.119 1.00 0.00 H new ATOM 0 HB THR A 72 -1.536 -15.906 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.399 -14.722 -3.790 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.980 -15.805 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.056 -14.910 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.896 -14.028 -1.706 1.00 0.00 H new ATOM 1038 N ALA A 73 1.182 -13.353 -2.705 1.00 0.00 N ATOM 1039 CA ALA A 73 2.592 -13.662 -2.935 1.00 0.00 C ATOM 1040 C ALA A 73 3.346 -13.856 -1.616 1.00 0.00 C ATOM 1041 O ALA A 73 2.767 -13.724 -0.534 1.00 0.00 O ATOM 1042 CB ALA A 73 3.239 -12.564 -3.769 1.00 0.00 C ATOM 0 H ALA A 73 0.941 -12.370 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 73 2.647 -14.602 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.289 -12.804 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.729 -12.488 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.163 -11.613 -3.241 1.00 0.00 H new ATOM 1048 N ALA A 74 4.639 -14.172 -1.714 1.00 0.00 N ATOM 1049 CA ALA A 74 5.474 -14.390 -0.533 1.00 0.00 C ATOM 1050 C ALA A 74 5.979 -13.065 0.041 1.00 0.00 C ATOM 1051 O ALA A 74 7.160 -12.733 -0.076 1.00 0.00 O ATOM 1052 CB ALA A 74 6.646 -15.300 -0.879 1.00 0.00 C ATOM 0 H ALA A 74 5.130 -14.283 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 74 4.863 -14.873 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.260 -15.455 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.269 -16.260 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.248 -14.837 -1.661 1.00 0.00 H new ATOM 1058 N GLY A 75 5.075 -12.305 0.660 1.00 0.00 N ATOM 1059 CA GLY A 75 5.450 -11.026 1.238 1.00 0.00 C ATOM 1060 C GLY A 75 5.591 -9.940 0.188 1.00 0.00 C ATOM 1061 O GLY A 75 6.031 -10.206 -0.931 1.00 0.00 O ATOM 0 H GLY A 75 4.092 -12.553 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.700 -10.726 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.393 -11.134 1.775 1.00 0.00 H new ATOM 1065 N ASP A 76 5.221 -8.713 0.549 1.00 0.00 N ATOM 1066 CA ASP A 76 5.311 -7.588 -0.379 1.00 0.00 C ATOM 1067 C ASP A 76 6.148 -6.466 0.211 1.00 0.00 C ATOM 1068 O ASP A 76 7.323 -6.309 -0.129 1.00 0.00 O ATOM 1069 CB ASP A 76 3.915 -7.070 -0.732 1.00 0.00 C ATOM 1070 CG ASP A 76 3.285 -7.851 -1.862 1.00 0.00 C ATOM 1071 OD1 ASP A 76 3.626 -7.575 -3.028 1.00 0.00 O ATOM 1072 OD2 ASP A 76 2.458 -8.744 -1.581 1.00 0.00 O ATOM 0 H ASP A 76 4.858 -8.473 1.472 1.00 0.00 H new ATOM 0 HA ASP A 76 5.796 -7.941 -1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.275 -7.127 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.979 -6.018 -1.011 1.00 0.00 H new ATOM 1077 N GLU A 77 5.537 -5.692 1.098 1.00 0.00 N ATOM 1078 CA GLU A 77 6.216 -4.582 1.745 1.00 0.00 C ATOM 1079 C GLU A 77 5.803 -4.485 3.210 1.00 0.00 C ATOM 1080 O GLU A 77 5.029 -5.312 3.701 1.00 0.00 O ATOM 1081 CB GLU A 77 5.919 -3.263 1.014 1.00 0.00 C ATOM 1082 CG GLU A 77 4.481 -3.126 0.532 1.00 0.00 C ATOM 1083 CD GLU A 77 4.365 -2.375 -0.784 1.00 0.00 C ATOM 1084 OE1 GLU A 77 5.199 -1.476 -1.037 1.00 0.00 O ATOM 1085 OE2 GLU A 77 3.441 -2.688 -1.564 1.00 0.00 O ATOM 0 H GLU A 77 4.566 -5.815 1.386 1.00 0.00 H new ATOM 0 HA GLU A 77 7.290 -4.764 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.147 -2.432 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.587 -3.177 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.046 -4.119 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.897 -2.608 1.292 1.00 0.00 H new ATOM 1092 N LEU A 78 6.323 -3.475 3.900 1.00 0.00 N ATOM 1093 CA LEU A 78 6.014 -3.259 5.307 1.00 0.00 C ATOM 1094 C LEU A 78 5.123 -2.030 5.480 1.00 0.00 C ATOM 1095 O LEU A 78 4.064 -2.103 6.106 1.00 0.00 O ATOM 1096 CB LEU A 78 7.307 -3.087 6.115 1.00 0.00 C ATOM 1097 CG LEU A 78 7.433 -3.979 7.356 1.00 0.00 C ATOM 1098 CD1 LEU A 78 6.253 -3.768 8.291 1.00 0.00 C ATOM 1099 CD2 LEU A 78 7.547 -5.443 6.955 1.00 0.00 C ATOM 0 H LEU A 78 6.965 -2.789 3.503 1.00 0.00 H new ATOM 0 HA LEU A 78 5.478 -4.133 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.154 -3.286 5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.384 -2.046 6.428 1.00 0.00 H new ATOM 0 HG LEU A 78 8.343 -3.699 7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.362 -4.410 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.222 -2.726 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.328 -4.017 7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.636 -6.059 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.658 -5.738 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.429 -5.581 6.330 1.00 0.00 H new ATOM 1111 N ALA A 79 5.560 -0.901 4.919 1.00 0.00 N ATOM 1112 CA ALA A 79 4.807 0.346 5.011 1.00 0.00 C ATOM 1113 C ALA A 79 5.223 1.321 3.906 1.00 0.00 C ATOM 1114 O ALA A 79 6.160 1.051 3.153 1.00 0.00 O ATOM 1115 CB ALA A 79 5.010 0.979 6.380 1.00 0.00 C ATOM 0 H ALA A 79 6.433 -0.827 4.396 1.00 0.00 H new ATOM 0 HA ALA A 79 3.749 0.118 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.444 1.909 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.663 0.293 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.069 1.189 6.530 1.00 0.00 H new ATOM 1121 N LEU A 80 4.522 2.452 3.815 1.00 0.00 N ATOM 1122 CA LEU A 80 4.822 3.463 2.803 1.00 0.00 C ATOM 1123 C LEU A 80 4.390 4.851 3.274 1.00 0.00 C ATOM 1124 O LEU A 80 3.209 5.095 3.518 1.00 0.00 O ATOM 1125 CB LEU A 80 4.135 3.106 1.476 1.00 0.00 C ATOM 1126 CG LEU A 80 4.082 4.227 0.430 1.00 0.00 C ATOM 1127 CD1 LEU A 80 4.142 3.648 -0.977 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.824 5.067 0.607 1.00 0.00 C ATOM 0 H LEU A 80 3.744 2.690 4.430 1.00 0.00 H new ATOM 0 HA LEU A 80 5.900 3.481 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.652 2.251 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.115 2.786 1.691 1.00 0.00 H new ATOM 0 HG LEU A 80 4.949 4.872 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.103 4.458 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.071 3.091 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.295 2.980 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.805 5.857 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.944 4.434 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.821 5.513 1.602 1.00 0.00 H new ATOM 1140 N PHE A 81 5.354 5.755 3.403 1.00 0.00 N ATOM 1141 CA PHE A 81 5.068 7.117 3.846 1.00 0.00 C ATOM 1142 C PHE A 81 5.894 8.131 3.057 1.00 0.00 C ATOM 1143 O PHE A 81 7.109 8.232 3.244 1.00 0.00 O ATOM 1144 CB PHE A 81 5.345 7.263 5.347 1.00 0.00 C ATOM 1145 CG PHE A 81 4.805 6.127 6.175 1.00 0.00 C ATOM 1146 CD1 PHE A 81 3.458 6.057 6.489 1.00 0.00 C ATOM 1147 CD2 PHE A 81 5.650 5.128 6.632 1.00 0.00 C ATOM 1148 CE1 PHE A 81 2.962 5.011 7.245 1.00 0.00 C ATOM 1149 CE2 PHE A 81 5.161 4.081 7.388 1.00 0.00 C ATOM 1150 CZ PHE A 81 3.815 4.023 7.694 1.00 0.00 C ATOM 0 H PHE A 81 6.338 5.572 3.208 1.00 0.00 H new ATOM 0 HA PHE A 81 4.012 7.317 3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.421 7.336 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.908 8.197 5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.787 6.828 6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.703 5.169 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.910 4.967 7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.829 3.309 7.739 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.430 3.205 8.284 1.00 0.00 H new ATOM 1160 N PRO A 82 5.240 8.894 2.160 1.00 0.00 N ATOM 1161 CA PRO A 82 5.913 9.905 1.333 1.00 0.00 C ATOM 1162 C PRO A 82 6.325 11.141 2.135 1.00 0.00 C ATOM 1163 O PRO A 82 5.769 11.413 3.200 1.00 0.00 O ATOM 1164 CB PRO A 82 4.852 10.269 0.293 1.00 0.00 C ATOM 1165 CG PRO A 82 3.550 9.992 0.965 1.00 0.00 C ATOM 1166 CD PRO A 82 3.792 8.823 1.877 1.00 0.00 C ATOM 0 HA PRO A 82 6.842 9.528 0.904 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.930 11.315 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.965 9.673 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.209 10.861 1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.775 9.762 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.201 8.898 2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.523 7.881 1.400 1.00 0.00 H new ATOM 1174 N PRO A 83 7.313 11.908 1.628 1.00 0.00 N ATOM 1175 CA PRO A 83 7.805 13.118 2.290 1.00 0.00 C ATOM 1176 C PRO A 83 7.012 14.378 1.914 1.00 0.00 C ATOM 1177 O PRO A 83 7.573 15.473 1.868 1.00 0.00 O ATOM 1178 CB PRO A 83 9.236 13.203 1.768 1.00 0.00 C ATOM 1179 CG PRO A 83 9.156 12.667 0.376 1.00 0.00 C ATOM 1180 CD PRO A 83 8.035 11.652 0.366 1.00 0.00 C ATOM 0 HA PRO A 83 7.716 13.066 3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.602 14.230 1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.918 12.615 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.959 13.468 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.099 12.205 0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.385 11.783 -0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.419 10.633 0.325 1.00 0.00 H new