USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -1.51 (180deg=-1.59) 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= -0.946 USER MOD Single : A 39 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-5.3!) 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=-0.00947 X(o=-0.0095,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.6!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.585 -9.505 2.292 1.00 0.00 N ATOM 2 CA MET A 1 -1.798 -9.932 3.703 1.00 0.00 C ATOM 3 C MET A 1 -2.185 -8.748 4.586 1.00 0.00 C ATOM 4 O MET A 1 -3.254 -8.745 5.198 1.00 0.00 O ATOM 5 CB MET A 1 -0.512 -10.584 4.224 1.00 0.00 C ATOM 6 CG MET A 1 -0.656 -12.070 4.516 1.00 0.00 C ATOM 7 SD MET A 1 0.392 -12.616 5.878 1.00 0.00 S ATOM 8 CE MET A 1 -0.441 -14.124 6.365 1.00 0.00 C ATOM 0 H1 MET A 1 -1.407 -10.341 1.699 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.433 -9.011 1.947 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.767 -8.865 2.243 1.00 0.00 H new ATOM 0 HA MET A 1 -2.618 -10.649 3.736 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.281 -10.442 3.489 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.198 -10.072 5.134 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.697 -12.290 4.753 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.406 -12.638 3.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.091 -14.580 7.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.463 -13.894 6.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.459 -14.818 5.524 1.00 0.00 H new ATOM 20 N GLU A 2 -1.311 -7.743 4.648 1.00 0.00 N ATOM 21 CA GLU A 2 -1.570 -6.556 5.458 1.00 0.00 C ATOM 22 C GLU A 2 -1.078 -5.286 4.764 1.00 0.00 C ATOM 23 O GLU A 2 -0.161 -5.326 3.939 1.00 0.00 O ATOM 24 CB GLU A 2 -0.916 -6.689 6.837 1.00 0.00 C ATOM 25 CG GLU A 2 0.532 -7.156 6.792 1.00 0.00 C ATOM 26 CD GLU A 2 1.255 -6.940 8.108 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.525 -5.773 8.455 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.554 -7.940 8.790 1.00 0.00 O ATOM 0 H GLU A 2 -0.422 -7.728 4.149 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.650 -6.476 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.961 -5.725 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.495 -7.391 7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.561 -8.215 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.058 -6.622 6.001 1.00 0.00 H new ATOM 35 N TRP A 3 -1.707 -4.164 5.114 1.00 0.00 N ATOM 36 CA TRP A 3 -1.369 -2.860 4.554 1.00 0.00 C ATOM 37 C TRP A 3 -1.561 -1.785 5.620 1.00 0.00 C ATOM 38 O TRP A 3 -2.483 -1.873 6.430 1.00 0.00 O ATOM 39 CB TRP A 3 -2.263 -2.541 3.347 1.00 0.00 C ATOM 40 CG TRP A 3 -2.074 -3.461 2.176 1.00 0.00 C ATOM 41 CD1 TRP A 3 -2.411 -4.783 2.105 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.513 -3.123 0.900 1.00 0.00 C ATOM 43 NE1 TRP A 3 -2.089 -5.288 0.869 1.00 0.00 N ATOM 44 CE2 TRP A 3 -1.537 -4.288 0.111 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.995 -1.948 0.349 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.061 -4.312 -1.198 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -0.523 -1.972 -0.950 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.558 -3.148 -1.710 1.00 0.00 C ATOM 0 H TRP A 3 -2.466 -4.136 5.795 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.330 -2.880 4.226 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.306 -2.582 3.662 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.067 -1.518 3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.865 -5.349 2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -2.237 -6.250 0.565 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.964 -1.037 0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.088 -5.217 -1.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.121 -1.069 -1.386 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.180 -3.135 -2.722 1.00 0.00 H new ATOM 59 N LYS A 4 -0.698 -0.778 5.620 1.00 0.00 N ATOM 60 CA LYS A 4 -0.795 0.308 6.594 1.00 0.00 C ATOM 61 C LYS A 4 -0.618 1.659 5.912 1.00 0.00 C ATOM 62 O LYS A 4 0.260 1.822 5.070 1.00 0.00 O ATOM 63 CB LYS A 4 0.255 0.137 7.694 1.00 0.00 C ATOM 64 CG LYS A 4 0.100 -1.142 8.499 1.00 0.00 C ATOM 65 CD LYS A 4 1.292 -1.368 9.418 1.00 0.00 C ATOM 66 CE LYS A 4 0.855 -1.792 10.812 1.00 0.00 C ATOM 67 NZ LYS A 4 0.780 -3.276 10.947 1.00 0.00 N ATOM 0 H LYS A 4 0.075 -0.688 4.961 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.787 0.271 7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.247 0.152 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.200 0.990 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.814 -1.092 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.005 -1.990 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.941 -2.133 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.880 -0.452 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.555 -1.396 11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.120 -1.358 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.479 -3.522 11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.093 -3.653 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.716 -3.689 10.761 1.00 0.00 H new ATOM 81 N LEU A 5 -1.457 2.627 6.277 1.00 0.00 N ATOM 82 CA LEU A 5 -1.378 3.962 5.685 1.00 0.00 C ATOM 83 C LEU A 5 -1.357 5.041 6.765 1.00 0.00 C ATOM 84 O LEU A 5 -2.128 4.988 7.725 1.00 0.00 O ATOM 85 CB LEU A 5 -2.553 4.189 4.730 1.00 0.00 C ATOM 86 CG LEU A 5 -2.301 5.209 3.619 1.00 0.00 C ATOM 87 CD1 LEU A 5 -1.625 4.544 2.428 1.00 0.00 C ATOM 88 CD2 LEU A 5 -3.607 5.868 3.200 1.00 0.00 C ATOM 0 H LEU A 5 -2.193 2.514 6.974 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.447 4.029 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.818 3.236 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.415 4.515 5.312 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.634 5.982 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.453 5.285 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.671 4.119 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.266 3.751 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.412 6.592 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.297 5.108 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.049 6.377 4.056 1.00 0.00 H new ATOM 100 N PHE A 6 -0.462 6.016 6.603 1.00 0.00 N ATOM 101 CA PHE A 6 -0.330 7.110 7.567 1.00 0.00 C ATOM 102 C PHE A 6 -1.379 8.199 7.324 1.00 0.00 C ATOM 103 O PHE A 6 -2.156 8.124 6.367 1.00 0.00 O ATOM 104 CB PHE A 6 1.078 7.713 7.499 1.00 0.00 C ATOM 105 CG PHE A 6 1.644 8.055 8.849 1.00 0.00 C ATOM 106 CD1 PHE A 6 1.868 7.063 9.790 1.00 0.00 C ATOM 107 CD2 PHE A 6 1.947 9.368 9.178 1.00 0.00 C ATOM 108 CE1 PHE A 6 2.382 7.371 11.035 1.00 0.00 C ATOM 109 CE2 PHE A 6 2.464 9.681 10.421 1.00 0.00 C ATOM 110 CZ PHE A 6 2.680 8.683 11.351 1.00 0.00 C ATOM 0 H PHE A 6 0.182 6.071 5.814 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.495 6.697 8.562 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.744 7.008 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.051 8.613 6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.638 6.036 9.547 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.777 10.153 8.456 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.551 6.588 11.760 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.699 10.706 10.665 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.081 8.927 12.324 1.00 0.00 H new ATOM 120 N ALA A 7 -1.398 9.212 8.196 1.00 0.00 N ATOM 121 CA ALA A 7 -2.350 10.318 8.078 1.00 0.00 C ATOM 122 C ALA A 7 -2.138 11.126 6.797 1.00 0.00 C ATOM 123 O ALA A 7 -3.018 11.881 6.393 1.00 0.00 O ATOM 124 CB ALA A 7 -2.265 11.232 9.293 1.00 0.00 C ATOM 0 H ALA A 7 -0.764 9.288 8.991 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.346 9.878 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.980 12.047 9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.496 10.663 10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.258 11.641 9.371 1.00 0.00 H new ATOM 130 N ASP A 8 -0.975 10.959 6.158 1.00 0.00 N ATOM 131 CA ASP A 8 -0.664 11.676 4.918 1.00 0.00 C ATOM 132 C ASP A 8 -1.742 11.428 3.858 1.00 0.00 C ATOM 133 O ASP A 8 -2.006 12.286 3.017 1.00 0.00 O ATOM 134 CB ASP A 8 0.712 11.252 4.383 1.00 0.00 C ATOM 135 CG ASP A 8 1.817 11.423 5.412 1.00 0.00 C ATOM 136 OD1 ASP A 8 2.166 12.581 5.724 1.00 0.00 O ATOM 137 OD2 ASP A 8 2.333 10.398 5.904 1.00 0.00 O ATOM 0 H ASP A 8 -0.235 10.335 6.479 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.641 12.743 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.670 10.209 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.951 11.841 3.498 1.00 0.00 H new ATOM 142 N LEU A 9 -2.362 10.245 3.910 1.00 0.00 N ATOM 143 CA LEU A 9 -3.414 9.878 2.964 1.00 0.00 C ATOM 144 C LEU A 9 -4.740 9.600 3.684 1.00 0.00 C ATOM 145 O LEU A 9 -5.813 9.922 3.174 1.00 0.00 O ATOM 146 CB LEU A 9 -2.984 8.656 2.153 1.00 0.00 C ATOM 147 CG LEU A 9 -2.291 8.970 0.823 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.803 9.208 1.037 1.00 0.00 C ATOM 149 CD2 LEU A 9 -2.513 7.844 -0.177 1.00 0.00 C ATOM 0 H LEU A 9 -2.151 9.525 4.601 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.572 10.719 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.311 8.053 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.864 8.045 1.951 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.730 9.881 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.329 9.429 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.663 10.050 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.350 8.315 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.013 8.086 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.104 6.916 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.581 7.722 -0.356 1.00 0.00 H new ATOM 161 N ALA A 10 -4.663 9.003 4.876 1.00 0.00 N ATOM 162 CA ALA A 10 -5.862 8.690 5.655 1.00 0.00 C ATOM 163 C ALA A 10 -6.642 9.950 6.050 1.00 0.00 C ATOM 164 O ALA A 10 -7.797 9.862 6.464 1.00 0.00 O ATOM 165 CB ALA A 10 -5.479 7.899 6.901 1.00 0.00 C ATOM 0 H ALA A 10 -3.787 8.728 5.321 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.516 8.089 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.376 7.669 7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.989 6.971 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.798 8.491 7.512 1.00 0.00 H new ATOM 171 N GLU A 11 -6.006 11.117 5.936 1.00 0.00 N ATOM 172 CA GLU A 11 -6.649 12.381 6.300 1.00 0.00 C ATOM 173 C GLU A 11 -7.737 12.791 5.300 1.00 0.00 C ATOM 174 O GLU A 11 -8.673 13.505 5.663 1.00 0.00 O ATOM 175 CB GLU A 11 -5.600 13.495 6.422 1.00 0.00 C ATOM 176 CG GLU A 11 -5.387 14.000 7.849 1.00 0.00 C ATOM 177 CD GLU A 11 -5.000 12.907 8.841 1.00 0.00 C ATOM 178 OE1 GLU A 11 -5.090 11.710 8.498 1.00 0.00 O ATOM 179 OE2 GLU A 11 -4.604 13.255 9.969 1.00 0.00 O ATOM 0 H GLU A 11 -5.049 11.213 5.596 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.134 12.229 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.650 13.129 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.901 14.333 5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.608 14.762 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.302 14.482 8.194 1.00 0.00 H new ATOM 186 N VAL A 12 -7.617 12.352 4.045 1.00 0.00 N ATOM 187 CA VAL A 12 -8.606 12.702 3.023 1.00 0.00 C ATOM 188 C VAL A 12 -9.669 11.614 2.859 1.00 0.00 C ATOM 189 O VAL A 12 -10.848 11.916 2.663 1.00 0.00 O ATOM 190 CB VAL A 12 -7.951 12.974 1.652 1.00 0.00 C ATOM 191 CG1 VAL A 12 -8.941 13.651 0.715 1.00 0.00 C ATOM 192 CG2 VAL A 12 -6.695 13.825 1.809 1.00 0.00 C ATOM 0 H VAL A 12 -6.854 11.761 3.715 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.084 13.616 3.375 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.660 12.018 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.463 13.836 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.807 13.005 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.263 14.598 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.251 14.003 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.957 14.779 2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.978 13.302 2.442 1.00 0.00 H new ATOM 202 N ALA A 13 -9.249 10.350 2.926 1.00 0.00 N ATOM 203 CA ALA A 13 -10.174 9.228 2.772 1.00 0.00 C ATOM 204 C ALA A 13 -10.702 8.741 4.119 1.00 0.00 C ATOM 205 O ALA A 13 -11.890 8.445 4.257 1.00 0.00 O ATOM 206 CB ALA A 13 -9.506 8.081 2.023 1.00 0.00 C ATOM 0 H ALA A 13 -8.279 10.079 3.085 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.024 9.585 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.210 7.256 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.198 8.422 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.632 7.744 2.579 1.00 0.00 H new ATOM 212 N GLY A 14 -9.811 8.653 5.107 1.00 0.00 N ATOM 213 CA GLY A 14 -10.200 8.193 6.431 1.00 0.00 C ATOM 214 C GLY A 14 -9.843 6.736 6.675 1.00 0.00 C ATOM 215 O GLY A 14 -10.448 6.079 7.524 1.00 0.00 O ATOM 0 H GLY A 14 -8.824 8.893 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.713 8.813 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.275 8.325 6.556 1.00 0.00 H new ATOM 219 N SER A 15 -8.857 6.229 5.930 1.00 0.00 N ATOM 220 CA SER A 15 -8.425 4.843 6.070 1.00 0.00 C ATOM 221 C SER A 15 -6.906 4.756 6.206 1.00 0.00 C ATOM 222 O SER A 15 -6.170 5.436 5.487 1.00 0.00 O ATOM 223 CB SER A 15 -8.892 4.011 4.871 1.00 0.00 C ATOM 224 OG SER A 15 -8.974 4.802 3.697 1.00 0.00 O ATOM 0 H SER A 15 -8.346 6.760 5.225 1.00 0.00 H new ATOM 0 HA SER A 15 -8.877 4.441 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.201 3.184 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.867 3.574 5.086 1.00 0.00 H new ATOM 0 HG SER A 15 -9.273 4.245 2.948 1.00 0.00 H new ATOM 230 N ARG A 16 -6.446 3.912 7.130 1.00 0.00 N ATOM 231 CA ARG A 16 -5.019 3.728 7.364 1.00 0.00 C ATOM 232 C ARG A 16 -4.591 2.315 6.967 1.00 0.00 C ATOM 233 O ARG A 16 -4.068 2.106 5.873 1.00 0.00 O ATOM 234 CB ARG A 16 -4.658 4.010 8.835 1.00 0.00 C ATOM 235 CG ARG A 16 -5.831 3.915 9.804 1.00 0.00 C ATOM 236 CD ARG A 16 -5.456 4.413 11.193 1.00 0.00 C ATOM 237 NE ARG A 16 -6.142 5.658 11.533 1.00 0.00 N ATOM 238 CZ ARG A 16 -5.648 6.879 11.299 1.00 0.00 C ATOM 239 NH1 ARG A 16 -4.454 7.031 10.731 1.00 0.00 N ATOM 240 NH2 ARG A 16 -6.356 7.953 11.631 1.00 0.00 N ATOM 0 H ARG A 16 -7.046 3.345 7.729 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.479 4.443 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.887 3.306 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.226 5.008 8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.667 4.500 9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.168 2.880 9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.704 3.650 11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.378 4.568 11.244 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.057 5.592 11.978 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.906 6.212 10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.087 7.967 10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.274 7.845 12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.982 8.885 11.454 1.00 0.00 H new ATOM 254 N THR A 17 -4.812 1.347 7.854 1.00 0.00 N ATOM 255 CA THR A 17 -4.437 -0.038 7.577 1.00 0.00 C ATOM 256 C THR A 17 -5.596 -0.818 6.959 1.00 0.00 C ATOM 257 O THR A 17 -6.764 -0.546 7.243 1.00 0.00 O ATOM 258 CB THR A 17 -3.953 -0.735 8.855 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.049 -1.170 9.647 1.00 0.00 O ATOM 260 CG2 THR A 17 -3.075 0.134 9.731 1.00 0.00 C ATOM 0 H THR A 17 -5.246 1.494 8.765 1.00 0.00 H new ATOM 0 HA THR A 17 -3.620 -0.018 6.856 1.00 0.00 H new ATOM 0 HB THR A 17 -3.360 -1.578 8.501 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.714 -1.612 10.455 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.773 -0.428 10.615 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.189 0.436 9.172 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.630 1.021 10.037 1.00 0.00 H new ATOM 268 N VAL A 18 -5.259 -1.792 6.113 1.00 0.00 N ATOM 269 CA VAL A 18 -6.260 -2.623 5.448 1.00 0.00 C ATOM 270 C VAL A 18 -5.785 -4.073 5.342 1.00 0.00 C ATOM 271 O VAL A 18 -4.772 -4.358 4.700 1.00 0.00 O ATOM 272 CB VAL A 18 -6.584 -2.099 4.031 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.848 -2.753 3.489 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.718 -0.584 4.034 1.00 0.00 C ATOM 0 H VAL A 18 -4.296 -2.025 5.872 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.162 -2.577 6.058 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.756 -2.365 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.057 -2.369 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.707 -3.833 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.686 -2.526 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.946 -0.237 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.522 -0.291 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.782 -0.137 4.369 1.00 0.00 H new ATOM 284 N ARG A 19 -6.524 -4.988 5.970 1.00 0.00 N ATOM 285 CA ARG A 19 -6.177 -6.407 5.935 1.00 0.00 C ATOM 286 C ARG A 19 -6.692 -7.051 4.650 1.00 0.00 C ATOM 287 O ARG A 19 -7.726 -6.647 4.116 1.00 0.00 O ATOM 288 CB ARG A 19 -6.758 -7.133 7.153 1.00 0.00 C ATOM 289 CG ARG A 19 -6.237 -6.609 8.483 1.00 0.00 C ATOM 290 CD ARG A 19 -5.246 -7.574 9.119 1.00 0.00 C ATOM 291 NE ARG A 19 -5.511 -7.775 10.542 1.00 0.00 N ATOM 292 CZ ARG A 19 -5.169 -6.905 11.496 1.00 0.00 C ATOM 293 NH1 ARG A 19 -4.551 -5.768 11.186 1.00 0.00 N ATOM 294 NH2 ARG A 19 -5.453 -7.172 12.767 1.00 0.00 N ATOM 0 H ARG A 19 -7.364 -4.772 6.507 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.091 -6.493 5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.844 -7.040 7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.528 -8.196 7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.757 -5.642 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.073 -6.446 9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.292 -8.533 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.234 -7.191 8.990 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.986 -8.632 10.824 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.334 -5.554 10.212 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.294 -5.110 11.922 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.931 -8.039 13.011 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.193 -6.510 13.498 1.00 0.00 H new ATOM 308 N VAL A 20 -5.967 -8.053 4.154 1.00 0.00 N ATOM 309 CA VAL A 20 -6.357 -8.744 2.928 1.00 0.00 C ATOM 310 C VAL A 20 -6.985 -10.101 3.236 1.00 0.00 C ATOM 311 O VAL A 20 -6.353 -10.967 3.842 1.00 0.00 O ATOM 312 CB VAL A 20 -5.151 -8.936 1.983 1.00 0.00 C ATOM 313 CG1 VAL A 20 -5.589 -9.524 0.647 1.00 0.00 C ATOM 314 CG2 VAL A 20 -4.422 -7.615 1.774 1.00 0.00 C ATOM 0 H VAL A 20 -5.109 -8.403 4.581 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.096 -8.117 2.430 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.464 -9.641 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.719 -9.648 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.059 -10.493 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.302 -8.852 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.575 -7.769 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.105 -6.888 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.064 -7.241 2.733 1.00 0.00 H new ATOM 324 N ASP A 21 -8.237 -10.274 2.811 1.00 0.00 N ATOM 325 CA ASP A 21 -8.964 -11.523 3.034 1.00 0.00 C ATOM 326 C ASP A 21 -9.149 -12.307 1.730 1.00 0.00 C ATOM 327 O ASP A 21 -9.472 -13.496 1.759 1.00 0.00 O ATOM 328 CB ASP A 21 -10.328 -11.230 3.663 1.00 0.00 C ATOM 329 CG ASP A 21 -10.299 -11.327 5.175 1.00 0.00 C ATOM 330 OD1 ASP A 21 -10.495 -12.442 5.703 1.00 0.00 O ATOM 331 OD2 ASP A 21 -10.079 -10.287 5.833 1.00 0.00 O ATOM 0 H ASP A 21 -8.769 -9.563 2.309 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.373 -12.136 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.652 -10.231 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.064 -11.931 3.271 1.00 0.00 H new ATOM 336 N VAL A 22 -8.946 -11.640 0.590 1.00 0.00 N ATOM 337 CA VAL A 22 -9.094 -12.284 -0.713 1.00 0.00 C ATOM 338 C VAL A 22 -7.794 -12.965 -1.137 1.00 0.00 C ATOM 339 O VAL A 22 -6.706 -12.530 -0.758 1.00 0.00 O ATOM 340 CB VAL A 22 -9.511 -11.270 -1.801 1.00 0.00 C ATOM 341 CG1 VAL A 22 -9.855 -11.984 -3.100 1.00 0.00 C ATOM 342 CG2 VAL A 22 -10.682 -10.421 -1.326 1.00 0.00 C ATOM 0 H VAL A 22 -8.679 -10.656 0.546 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.879 -13.033 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.666 -10.608 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.146 -11.251 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.985 -12.539 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.681 -12.674 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.959 -9.714 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.532 -11.066 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.395 -9.875 -0.428 1.00 0.00 H new ATOM 352 N ASP A 23 -7.916 -14.035 -1.925 1.00 0.00 N ATOM 353 CA ASP A 23 -6.749 -14.777 -2.400 1.00 0.00 C ATOM 354 C ASP A 23 -5.829 -13.892 -3.243 1.00 0.00 C ATOM 355 O ASP A 23 -6.165 -12.751 -3.564 1.00 0.00 O ATOM 356 CB ASP A 23 -7.184 -16.005 -3.208 1.00 0.00 C ATOM 357 CG ASP A 23 -7.538 -17.184 -2.322 1.00 0.00 C ATOM 358 OD1 ASP A 23 -6.613 -17.779 -1.728 1.00 0.00 O ATOM 359 OD2 ASP A 23 -8.739 -17.513 -2.222 1.00 0.00 O ATOM 0 H ASP A 23 -8.810 -14.406 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.191 -15.108 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.045 -15.745 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.382 -16.292 -3.887 1.00 0.00 H new ATOM 364 N GLY A 24 -4.659 -14.431 -3.594 1.00 0.00 N ATOM 365 CA GLY A 24 -3.696 -13.686 -4.390 1.00 0.00 C ATOM 366 C GLY A 24 -4.077 -13.606 -5.857 1.00 0.00 C ATOM 367 O GLY A 24 -3.620 -14.415 -6.667 1.00 0.00 O ATOM 0 H GLY A 24 -4.362 -15.373 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.604 -12.677 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.717 -14.156 -4.299 1.00 0.00 H new ATOM 371 N ASP A 25 -4.912 -12.624 -6.199 1.00 0.00 N ATOM 372 CA ASP A 25 -5.356 -12.434 -7.581 1.00 0.00 C ATOM 373 C ASP A 25 -4.666 -11.231 -8.229 1.00 0.00 C ATOM 374 O ASP A 25 -4.223 -11.308 -9.375 1.00 0.00 O ATOM 375 CB ASP A 25 -6.883 -12.270 -7.645 1.00 0.00 C ATOM 376 CG ASP A 25 -7.400 -11.149 -6.762 1.00 0.00 C ATOM 377 OD1 ASP A 25 -7.713 -11.416 -5.584 1.00 0.00 O ATOM 378 OD2 ASP A 25 -7.495 -10.003 -7.247 1.00 0.00 O ATOM 0 H ASP A 25 -5.295 -11.948 -5.538 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.076 -13.326 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.179 -12.078 -8.676 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.356 -13.206 -7.347 1.00 0.00 H new ATOM 383 N ALA A 26 -4.577 -10.121 -7.493 1.00 0.00 N ATOM 384 CA ALA A 26 -3.942 -8.907 -8.007 1.00 0.00 C ATOM 385 C ALA A 26 -2.478 -8.821 -7.573 1.00 0.00 C ATOM 386 O ALA A 26 -2.043 -9.546 -6.677 1.00 0.00 O ATOM 387 CB ALA A 26 -4.707 -7.675 -7.548 1.00 0.00 C ATOM 0 H ALA A 26 -4.936 -10.038 -6.542 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.966 -8.949 -9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.223 -6.780 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.731 -7.724 -7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.716 -7.637 -6.459 1.00 0.00 H new ATOM 393 N THR A 27 -1.725 -7.925 -8.213 1.00 0.00 N ATOM 394 CA THR A 27 -0.308 -7.738 -7.892 1.00 0.00 C ATOM 395 C THR A 27 -0.143 -6.870 -6.647 1.00 0.00 C ATOM 396 O THR A 27 -1.082 -6.199 -6.214 1.00 0.00 O ATOM 397 CB THR A 27 0.443 -7.108 -9.074 1.00 0.00 C ATOM 398 OG1 THR A 27 -0.454 -6.474 -9.974 1.00 0.00 O ATOM 399 CG2 THR A 27 1.264 -8.106 -9.865 1.00 0.00 C ATOM 0 H THR A 27 -2.072 -7.318 -8.956 1.00 0.00 H new ATOM 0 HA THR A 27 0.119 -8.721 -7.692 1.00 0.00 H new ATOM 0 HB THR A 27 1.119 -6.381 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.051 -6.080 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.768 -7.594 -10.685 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.007 -8.565 -9.212 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.609 -8.878 -10.268 1.00 0.00 H new ATOM 407 N VAL A 28 1.062 -6.877 -6.078 1.00 0.00 N ATOM 408 CA VAL A 28 1.354 -6.086 -4.887 1.00 0.00 C ATOM 409 C VAL A 28 1.557 -4.618 -5.250 1.00 0.00 C ATOM 410 O VAL A 28 1.366 -3.729 -4.418 1.00 0.00 O ATOM 411 CB VAL A 28 2.605 -6.603 -4.146 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.789 -5.864 -2.829 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.510 -8.105 -3.916 1.00 0.00 C ATOM 0 H VAL A 28 1.851 -7.423 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 28 0.495 -6.184 -4.224 1.00 0.00 H new ATOM 0 HB VAL A 28 3.478 -6.411 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.676 -6.242 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.909 -4.798 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.914 -6.022 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.402 -8.450 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.628 -8.326 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.433 -8.616 -4.876 1.00 0.00 H new ATOM 423 N GLY A 29 1.938 -4.372 -6.503 1.00 0.00 N ATOM 424 CA GLY A 29 2.148 -3.016 -6.960 1.00 0.00 C ATOM 425 C GLY A 29 0.876 -2.397 -7.512 1.00 0.00 C ATOM 426 O GLY A 29 0.705 -1.178 -7.468 1.00 0.00 O ATOM 0 H GLY A 29 2.104 -5.092 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.518 -2.408 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.919 -3.009 -7.731 1.00 0.00 H new ATOM 430 N ASP A 30 -0.022 -3.248 -8.027 1.00 0.00 N ATOM 431 CA ASP A 30 -1.295 -2.791 -8.583 1.00 0.00 C ATOM 432 C ASP A 30 -2.047 -1.920 -7.579 1.00 0.00 C ATOM 433 O ASP A 30 -2.524 -0.836 -7.920 1.00 0.00 O ATOM 434 CB ASP A 30 -2.158 -3.995 -8.979 1.00 0.00 C ATOM 435 CG ASP A 30 -3.496 -3.589 -9.569 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.422 -3.279 -8.786 1.00 0.00 O ATOM 437 OD2 ASP A 30 -3.621 -3.582 -10.811 1.00 0.00 O ATOM 0 H ASP A 30 0.114 -4.258 -8.068 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.085 -2.192 -9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.616 -4.603 -9.703 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.327 -4.620 -8.102 1.00 0.00 H new ATOM 442 N ALA A 31 -2.140 -2.398 -6.337 1.00 0.00 N ATOM 443 CA ALA A 31 -2.820 -1.661 -5.279 1.00 0.00 C ATOM 444 C ALA A 31 -1.916 -0.566 -4.721 1.00 0.00 C ATOM 445 O ALA A 31 -2.387 0.508 -4.353 1.00 0.00 O ATOM 446 CB ALA A 31 -3.265 -2.606 -4.172 1.00 0.00 C ATOM 0 H ALA A 31 -1.751 -3.294 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.706 -1.189 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.771 -2.039 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.949 -3.349 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.394 -3.108 -3.750 1.00 0.00 H new ATOM 452 N LEU A 32 -0.610 -0.840 -4.671 1.00 0.00 N ATOM 453 CA LEU A 32 0.362 0.128 -4.170 1.00 0.00 C ATOM 454 C LEU A 32 0.211 1.457 -4.898 1.00 0.00 C ATOM 455 O LEU A 32 -0.075 2.483 -4.280 1.00 0.00 O ATOM 456 CB LEU A 32 1.787 -0.404 -4.344 1.00 0.00 C ATOM 457 CG LEU A 32 2.813 0.159 -3.357 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.695 -0.955 -2.819 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.655 1.242 -4.018 1.00 0.00 C ATOM 0 H LEU A 32 -0.204 -1.726 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 32 0.173 0.284 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.768 -1.489 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.120 -0.182 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 32 2.278 0.609 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.419 -0.539 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.077 -1.693 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.222 -1.433 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.378 1.629 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.183 0.821 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.008 2.052 -4.354 1.00 0.00 H new ATOM 471 N ASP A 33 0.388 1.428 -6.218 1.00 0.00 N ATOM 472 CA ASP A 33 0.254 2.628 -7.038 1.00 0.00 C ATOM 473 C ASP A 33 -1.179 3.141 -6.986 1.00 0.00 C ATOM 474 O ASP A 33 -1.415 4.349 -6.999 1.00 0.00 O ATOM 475 CB ASP A 33 0.655 2.335 -8.486 1.00 0.00 C ATOM 476 CG ASP A 33 0.412 3.515 -9.411 1.00 0.00 C ATOM 477 OD1 ASP A 33 0.889 4.627 -9.096 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.253 3.327 -10.451 1.00 0.00 O ATOM 0 H ASP A 33 0.625 0.585 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 33 0.919 3.395 -6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.710 2.064 -8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.093 1.474 -8.847 1.00 0.00 H new ATOM 483 N ALA A 34 -2.133 2.210 -6.920 1.00 0.00 N ATOM 484 CA ALA A 34 -3.544 2.564 -6.855 1.00 0.00 C ATOM 485 C ALA A 34 -3.820 3.453 -5.648 1.00 0.00 C ATOM 486 O ALA A 34 -4.347 4.552 -5.788 1.00 0.00 O ATOM 487 CB ALA A 34 -4.411 1.313 -6.808 1.00 0.00 C ATOM 0 H ALA A 34 -1.950 1.207 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.797 3.122 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.461 1.600 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.238 0.717 -7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.154 0.725 -5.926 1.00 0.00 H new ATOM 493 N LEU A 35 -3.446 2.974 -4.462 1.00 0.00 N ATOM 494 CA LEU A 35 -3.650 3.740 -3.231 1.00 0.00 C ATOM 495 C LEU A 35 -2.776 4.999 -3.220 1.00 0.00 C ATOM 496 O LEU A 35 -3.082 5.965 -2.519 1.00 0.00 O ATOM 497 CB LEU A 35 -3.341 2.881 -1.996 1.00 0.00 C ATOM 498 CG LEU A 35 -4.016 1.503 -1.952 1.00 0.00 C ATOM 499 CD1 LEU A 35 -3.846 0.873 -0.577 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.493 1.608 -2.313 1.00 0.00 C ATOM 0 H LEU A 35 -3.003 2.065 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.697 4.040 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.262 2.738 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.637 3.438 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.533 0.863 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.330 -0.104 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.784 0.755 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.302 1.515 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.948 0.618 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.995 2.266 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.594 2.015 -3.319 1.00 0.00 H new ATOM 512 N VAL A 36 -1.688 4.981 -3.991 1.00 0.00 N ATOM 513 CA VAL A 36 -0.773 6.119 -4.058 1.00 0.00 C ATOM 514 C VAL A 36 -1.290 7.224 -4.986 1.00 0.00 C ATOM 515 O VAL A 36 -1.262 8.400 -4.624 1.00 0.00 O ATOM 516 CB VAL A 36 0.633 5.683 -4.528 1.00 0.00 C ATOM 517 CG1 VAL A 36 1.500 6.897 -4.842 1.00 0.00 C ATOM 518 CG2 VAL A 36 1.300 4.805 -3.480 1.00 0.00 C ATOM 0 H VAL A 36 -1.420 4.191 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.710 6.517 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 36 0.520 5.101 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.485 6.565 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.032 7.484 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.604 7.511 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.289 4.508 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.397 5.361 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.693 3.915 -3.311 1.00 0.00 H new ATOM 528 N GLY A 37 -1.732 6.849 -6.189 1.00 0.00 N ATOM 529 CA GLY A 37 -2.211 7.844 -7.142 1.00 0.00 C ATOM 530 C GLY A 37 -3.615 7.582 -7.664 1.00 0.00 C ATOM 531 O GLY A 37 -4.384 8.521 -7.871 1.00 0.00 O ATOM 0 H GLY A 37 -1.767 5.884 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.189 8.825 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.523 7.883 -7.986 1.00 0.00 H new ATOM 535 N ALA A 38 -3.946 6.313 -7.891 1.00 0.00 N ATOM 536 CA ALA A 38 -5.268 5.941 -8.409 1.00 0.00 C ATOM 537 C ALA A 38 -6.385 6.120 -7.371 1.00 0.00 C ATOM 538 O ALA A 38 -7.555 5.882 -7.676 1.00 0.00 O ATOM 539 CB ALA A 38 -5.249 4.504 -8.918 1.00 0.00 C ATOM 0 H ALA A 38 -3.321 5.524 -7.726 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.488 6.620 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.235 4.240 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.514 4.411 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.984 3.832 -8.101 1.00 0.00 H new ATOM 545 N HIS A 39 -6.032 6.546 -6.154 1.00 0.00 N ATOM 546 CA HIS A 39 -7.021 6.752 -5.104 1.00 0.00 C ATOM 547 C HIS A 39 -6.862 8.135 -4.478 1.00 0.00 C ATOM 548 O HIS A 39 -6.502 8.260 -3.305 1.00 0.00 O ATOM 549 CB HIS A 39 -6.899 5.665 -4.034 1.00 0.00 C ATOM 550 CG HIS A 39 -7.603 4.392 -4.395 1.00 0.00 C ATOM 551 ND1 HIS A 39 -6.947 3.193 -4.567 1.00 0.00 N ATOM 552 CD2 HIS A 39 -8.913 4.137 -4.618 1.00 0.00 C ATOM 553 CE1 HIS A 39 -7.821 2.256 -4.881 1.00 0.00 C ATOM 554 NE2 HIS A 39 -9.022 2.802 -4.918 1.00 0.00 N ATOM 0 H HIS A 39 -5.072 6.753 -5.877 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.013 6.690 -5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.844 5.452 -3.862 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.305 6.042 -3.095 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.722 4.851 -4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.593 1.218 -5.075 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.890 2.312 -5.134 1.00 0.00 H new ATOM 563 N PRO A 40 -7.142 9.201 -5.256 1.00 0.00 N ATOM 564 CA PRO A 40 -7.040 10.586 -4.773 1.00 0.00 C ATOM 565 C PRO A 40 -7.873 10.832 -3.515 1.00 0.00 C ATOM 566 O PRO A 40 -7.665 11.820 -2.814 1.00 0.00 O ATOM 567 CB PRO A 40 -7.587 11.410 -5.938 1.00 0.00 C ATOM 568 CG PRO A 40 -7.383 10.555 -7.137 1.00 0.00 C ATOM 569 CD PRO A 40 -7.584 9.146 -6.663 1.00 0.00 C ATOM 0 HA PRO A 40 -6.018 10.840 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.642 11.646 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.059 12.359 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.092 10.809 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.384 10.691 -7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.626 8.837 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.994 8.437 -7.244 1.00 0.00 H new ATOM 577 N ALA A 41 -8.817 9.927 -3.231 1.00 0.00 N ATOM 578 CA ALA A 41 -9.673 10.046 -2.051 1.00 0.00 C ATOM 579 C ALA A 41 -8.848 10.211 -0.770 1.00 0.00 C ATOM 580 O ALA A 41 -9.332 10.776 0.205 1.00 0.00 O ATOM 581 CB ALA A 41 -10.590 8.838 -1.936 1.00 0.00 C ATOM 0 H ALA A 41 -9.005 9.105 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.281 10.942 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.220 8.942 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.218 8.772 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.990 7.932 -1.848 1.00 0.00 H new ATOM 587 N LEU A 42 -7.606 9.717 -0.781 1.00 0.00 N ATOM 588 CA LEU A 42 -6.726 9.818 0.381 1.00 0.00 C ATOM 589 C LEU A 42 -5.733 10.978 0.231 1.00 0.00 C ATOM 590 O LEU A 42 -5.203 11.480 1.219 1.00 0.00 O ATOM 591 CB LEU A 42 -5.956 8.510 0.587 1.00 0.00 C ATOM 592 CG LEU A 42 -6.733 7.221 0.287 1.00 0.00 C ATOM 593 CD1 LEU A 42 -6.025 6.405 -0.787 1.00 0.00 C ATOM 594 CD2 LEU A 42 -6.911 6.396 1.556 1.00 0.00 C ATOM 0 H LEU A 42 -7.190 9.244 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.354 10.010 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.067 8.531 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.612 8.472 1.621 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.720 7.495 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.592 5.495 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.951 6.993 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.025 6.142 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.464 5.486 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.933 6.133 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.463 6.978 2.294 1.00 0.00 H new ATOM 606 N GLU A 43 -5.478 11.399 -1.008 1.00 0.00 N ATOM 607 CA GLU A 43 -4.541 12.492 -1.272 1.00 0.00 C ATOM 608 C GLU A 43 -5.275 13.814 -1.489 1.00 0.00 C ATOM 609 O GLU A 43 -6.482 13.835 -1.733 1.00 0.00 O ATOM 610 CB GLU A 43 -3.677 12.166 -2.493 1.00 0.00 C ATOM 611 CG GLU A 43 -2.281 11.675 -2.140 1.00 0.00 C ATOM 612 CD GLU A 43 -1.441 12.735 -1.453 1.00 0.00 C ATOM 613 OE1 GLU A 43 -1.389 13.878 -1.961 1.00 0.00 O ATOM 614 OE2 GLU A 43 -0.834 12.426 -0.405 1.00 0.00 O ATOM 0 H GLU A 43 -5.906 11.001 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.900 12.601 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.180 11.406 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.593 13.057 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.361 10.804 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.775 11.349 -3.049 1.00 0.00 H new ATOM 621 N SER A 44 -4.535 14.917 -1.400 1.00 0.00 N ATOM 622 CA SER A 44 -5.110 16.245 -1.591 1.00 0.00 C ATOM 623 C SER A 44 -4.869 16.744 -3.016 1.00 0.00 C ATOM 624 O SER A 44 -5.798 17.198 -3.688 1.00 0.00 O ATOM 625 CB SER A 44 -4.522 17.230 -0.576 1.00 0.00 C ATOM 626 OG SER A 44 -4.958 18.556 -0.834 1.00 0.00 O ATOM 0 H SER A 44 -3.535 14.917 -1.197 1.00 0.00 H new ATOM 0 HA SER A 44 -6.186 16.176 -1.432 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.817 16.937 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.433 17.189 -0.614 1.00 0.00 H new ATOM 0 HG SER A 44 -4.569 19.163 -0.170 1.00 0.00 H new ATOM 632 N ARG A 45 -3.619 16.658 -3.476 1.00 0.00 N ATOM 633 CA ARG A 45 -3.266 17.103 -4.821 1.00 0.00 C ATOM 634 C ARG A 45 -2.170 16.228 -5.421 1.00 0.00 C ATOM 635 O ARG A 45 -1.190 15.897 -4.750 1.00 0.00 O ATOM 636 CB ARG A 45 -2.813 18.566 -4.798 1.00 0.00 C ATOM 637 CG ARG A 45 -3.313 19.377 -5.984 1.00 0.00 C ATOM 638 CD ARG A 45 -4.655 20.034 -5.687 1.00 0.00 C ATOM 639 NE ARG A 45 -5.741 19.447 -6.470 1.00 0.00 N ATOM 640 CZ ARG A 45 -5.982 19.738 -7.751 1.00 0.00 C ATOM 641 NH1 ARG A 45 -5.200 20.593 -8.408 1.00 0.00 N ATOM 642 NH2 ARG A 45 -7.004 19.169 -8.380 1.00 0.00 N ATOM 0 H ARG A 45 -2.838 16.285 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.155 17.015 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.163 19.032 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.724 18.600 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.580 20.143 -6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.409 18.728 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.880 19.934 -4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.591 21.101 -5.900 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.353 18.773 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.411 21.031 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.391 20.810 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.605 18.510 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.188 19.391 -9.358 1.00 0.00 H new ATOM 656 N VAL A 46 -2.346 15.853 -6.687 1.00 0.00 N ATOM 657 CA VAL A 46 -1.379 15.011 -7.384 1.00 0.00 C ATOM 658 C VAL A 46 -1.447 15.224 -8.902 1.00 0.00 C ATOM 659 O VAL A 46 -1.185 14.310 -9.686 1.00 0.00 O ATOM 660 CB VAL A 46 -1.610 13.523 -7.045 1.00 0.00 C ATOM 661 CG1 VAL A 46 -2.927 13.023 -7.630 1.00 0.00 C ATOM 662 CG2 VAL A 46 -0.441 12.669 -7.520 1.00 0.00 C ATOM 0 H VAL A 46 -3.152 16.121 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.384 15.299 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.673 13.433 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.063 11.972 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.752 13.605 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.909 13.134 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.628 11.625 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.332 12.769 -8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.475 13.001 -7.031 1.00 0.00 H new ATOM 672 N PHE A 47 -1.794 16.445 -9.307 1.00 0.00 N ATOM 673 CA PHE A 47 -1.892 16.787 -10.725 1.00 0.00 C ATOM 674 C PHE A 47 -0.987 17.969 -11.063 1.00 0.00 C ATOM 675 O PHE A 47 0.071 17.796 -11.667 1.00 0.00 O ATOM 676 CB PHE A 47 -3.343 17.110 -11.097 1.00 0.00 C ATOM 677 CG PHE A 47 -3.994 16.078 -11.979 1.00 0.00 C ATOM 678 CD1 PHE A 47 -3.941 14.732 -11.652 1.00 0.00 C ATOM 679 CD2 PHE A 47 -4.659 16.458 -13.133 1.00 0.00 C ATOM 680 CE1 PHE A 47 -4.542 13.785 -12.462 1.00 0.00 C ATOM 681 CE2 PHE A 47 -5.261 15.518 -13.945 1.00 0.00 C ATOM 682 CZ PHE A 47 -5.202 14.180 -13.609 1.00 0.00 C ATOM 0 H PHE A 47 -2.012 17.214 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.563 15.925 -11.305 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.927 17.212 -10.183 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.371 18.075 -11.603 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.425 14.419 -10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.707 17.503 -13.401 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.495 12.739 -12.198 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.777 15.828 -14.841 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.672 13.443 -14.243 1.00 0.00 H new ATOM 692 N GLY A 48 -1.411 19.169 -10.667 1.00 0.00 N ATOM 693 CA GLY A 48 -0.629 20.363 -10.933 1.00 0.00 C ATOM 694 C GLY A 48 -0.294 21.124 -9.666 1.00 0.00 C ATOM 695 O GLY A 48 -0.887 22.168 -9.389 1.00 0.00 O ATOM 0 H GLY A 48 -2.284 19.334 -10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.294 20.085 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.182 21.014 -11.610 1.00 0.00 H new ATOM 699 N ASP A 49 0.651 20.592 -8.891 1.00 0.00 N ATOM 700 CA ASP A 49 1.062 21.222 -7.641 1.00 0.00 C ATOM 701 C ASP A 49 1.688 22.593 -7.889 1.00 0.00 C ATOM 702 O ASP A 49 2.003 22.946 -9.027 1.00 0.00 O ATOM 703 CB ASP A 49 2.050 20.321 -6.891 1.00 0.00 C ATOM 704 CG ASP A 49 1.419 19.656 -5.683 1.00 0.00 C ATOM 705 OD1 ASP A 49 0.371 18.994 -5.848 1.00 0.00 O ATOM 706 OD2 ASP A 49 1.969 19.801 -4.572 1.00 0.00 O ATOM 0 H ASP A 49 1.145 19.726 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 49 0.171 21.363 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.427 19.555 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.907 20.913 -6.571 1.00 0.00 H new ATOM 711 N ASP A 50 1.865 23.361 -6.815 1.00 0.00 N ATOM 712 CA ASP A 50 2.452 24.697 -6.911 1.00 0.00 C ATOM 713 C ASP A 50 3.951 24.674 -6.596 1.00 0.00 C ATOM 714 O ASP A 50 4.497 25.647 -6.070 1.00 0.00 O ATOM 715 CB ASP A 50 1.728 25.663 -5.968 1.00 0.00 C ATOM 716 CG ASP A 50 1.532 27.040 -6.579 1.00 0.00 C ATOM 717 OD1 ASP A 50 1.145 27.116 -7.765 1.00 0.00 O ATOM 718 OD2 ASP A 50 1.763 28.042 -5.870 1.00 0.00 O ATOM 0 H ASP A 50 1.610 23.081 -5.868 1.00 0.00 H new ATOM 0 HA ASP A 50 2.331 25.042 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.757 25.246 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.298 25.758 -5.044 1.00 0.00 H new ATOM 723 N GLY A 51 4.614 23.564 -6.923 1.00 0.00 N ATOM 724 CA GLY A 51 6.041 23.445 -6.669 1.00 0.00 C ATOM 725 C GLY A 51 6.450 22.049 -6.244 1.00 0.00 C ATOM 726 O GLY A 51 7.024 21.867 -5.169 1.00 0.00 O ATOM 0 H GLY A 51 4.188 22.746 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.589 23.720 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.327 24.154 -5.892 1.00 0.00 H new ATOM 730 N GLU A 52 6.158 21.057 -7.087 1.00 0.00 N ATOM 731 CA GLU A 52 6.503 19.670 -6.786 1.00 0.00 C ATOM 732 C GLU A 52 6.432 18.796 -8.037 1.00 0.00 C ATOM 733 O GLU A 52 5.458 18.851 -8.791 1.00 0.00 O ATOM 734 CB GLU A 52 5.570 19.114 -5.707 1.00 0.00 C ATOM 735 CG GLU A 52 6.157 17.943 -4.935 1.00 0.00 C ATOM 736 CD GLU A 52 5.598 17.834 -3.530 1.00 0.00 C ATOM 737 OE1 GLU A 52 4.415 17.461 -3.388 1.00 0.00 O ATOM 738 OE2 GLU A 52 6.344 18.124 -2.570 1.00 0.00 O ATOM 0 H GLU A 52 5.685 21.189 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 52 7.529 19.654 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.323 19.912 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.637 18.799 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.955 17.018 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.240 18.052 -4.884 1.00 0.00 H new ATOM 745 N LEU A 53 7.471 17.986 -8.249 1.00 0.00 N ATOM 746 CA LEU A 53 7.530 17.090 -9.404 1.00 0.00 C ATOM 747 C LEU A 53 7.418 15.626 -8.971 1.00 0.00 C ATOM 748 O LEU A 53 6.779 14.821 -9.650 1.00 0.00 O ATOM 749 CB LEU A 53 8.828 17.307 -10.190 1.00 0.00 C ATOM 750 CG LEU A 53 8.638 17.665 -11.669 1.00 0.00 C ATOM 751 CD1 LEU A 53 9.891 18.318 -12.230 1.00 0.00 C ATOM 752 CD2 LEU A 53 8.273 16.429 -12.481 1.00 0.00 C ATOM 0 H LEU A 53 8.284 17.933 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 53 6.684 17.324 -10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.397 18.103 -9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.430 16.401 -10.126 1.00 0.00 H new ATOM 0 HG LEU A 53 7.817 18.378 -11.741 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.734 18.564 -13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.107 19.229 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.731 17.630 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.143 16.706 -13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.070 15.690 -12.398 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.344 16.005 -12.100 1.00 0.00 H new ATOM 764 N TYR A 54 8.041 15.285 -7.838 1.00 0.00 N ATOM 765 CA TYR A 54 8.005 13.919 -7.321 1.00 0.00 C ATOM 766 C TYR A 54 7.648 13.903 -5.833 1.00 0.00 C ATOM 767 O TYR A 54 8.177 14.697 -5.052 1.00 0.00 O ATOM 768 CB TYR A 54 9.355 13.230 -7.544 1.00 0.00 C ATOM 769 CG TYR A 54 9.241 11.791 -8.009 1.00 0.00 C ATOM 770 CD1 TYR A 54 8.514 10.857 -7.279 1.00 0.00 C ATOM 771 CD2 TYR A 54 9.862 11.368 -9.178 1.00 0.00 C ATOM 772 CE1 TYR A 54 8.409 9.546 -7.699 1.00 0.00 C ATOM 773 CE2 TYR A 54 9.759 10.058 -9.607 1.00 0.00 C ATOM 774 CZ TYR A 54 9.034 9.150 -8.863 1.00 0.00 C ATOM 775 OH TYR A 54 8.930 7.844 -9.287 1.00 0.00 O ATOM 0 H TYR A 54 8.575 15.938 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 54 7.233 13.374 -7.864 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.923 13.796 -8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.924 13.257 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.023 11.163 -6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.434 12.074 -9.761 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.840 8.834 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.244 9.747 -10.520 1.00 0.00 H new ATOM 0 HH TYR A 54 9.427 7.731 -10.124 1.00 0.00 H new ATOM 785 N ASP A 55 6.752 12.993 -5.450 1.00 0.00 N ATOM 786 CA ASP A 55 6.325 12.870 -4.056 1.00 0.00 C ATOM 787 C ASP A 55 7.180 11.847 -3.305 1.00 0.00 C ATOM 788 O ASP A 55 7.954 11.107 -3.915 1.00 0.00 O ATOM 789 CB ASP A 55 4.847 12.466 -3.989 1.00 0.00 C ATOM 790 CG ASP A 55 4.125 13.083 -2.805 1.00 0.00 C ATOM 791 OD1 ASP A 55 4.179 14.322 -2.652 1.00 0.00 O ATOM 792 OD2 ASP A 55 3.506 12.324 -2.030 1.00 0.00 O ATOM 0 H ASP A 55 6.308 12.330 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 55 6.454 13.841 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.350 12.768 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.774 11.380 -3.929 1.00 0.00 H new ATOM 797 N HIS A 56 7.038 11.817 -1.979 1.00 0.00 N ATOM 798 CA HIS A 56 7.802 10.889 -1.146 1.00 0.00 C ATOM 799 C HIS A 56 6.883 9.872 -0.471 1.00 0.00 C ATOM 800 O HIS A 56 6.102 10.222 0.416 1.00 0.00 O ATOM 801 CB HIS A 56 8.595 11.661 -0.086 1.00 0.00 C ATOM 802 CG HIS A 56 9.961 12.073 -0.542 1.00 0.00 C ATOM 803 ND1 HIS A 56 10.183 12.846 -1.663 1.00 0.00 N ATOM 804 CD2 HIS A 56 11.182 11.818 -0.017 1.00 0.00 C ATOM 805 CE1 HIS A 56 11.481 13.048 -1.808 1.00 0.00 C ATOM 806 NE2 HIS A 56 12.108 12.435 -0.822 1.00 0.00 N ATOM 0 H HIS A 56 6.402 12.423 -1.460 1.00 0.00 H new ATOM 0 HA HIS A 56 8.495 10.349 -1.791 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.033 12.550 0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 56 8.690 11.043 0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.390 11.237 0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.948 13.617 -2.598 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.118 12.422 -0.680 1.00 0.00 H new ATOM 815 N ILE A 57 6.990 8.611 -0.892 1.00 0.00 N ATOM 816 CA ILE A 57 6.179 7.537 -0.330 1.00 0.00 C ATOM 817 C ILE A 57 6.942 6.220 -0.389 1.00 0.00 C ATOM 818 O ILE A 57 7.418 5.818 -1.452 1.00 0.00 O ATOM 819 CB ILE A 57 4.837 7.367 -1.077 1.00 0.00 C ATOM 820 CG1 ILE A 57 4.224 8.731 -1.416 1.00 0.00 C ATOM 821 CG2 ILE A 57 3.866 6.538 -0.246 1.00 0.00 C ATOM 822 CD1 ILE A 57 2.908 8.639 -2.157 1.00 0.00 C ATOM 0 H ILE A 57 7.634 8.310 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 57 5.964 7.808 0.704 1.00 0.00 H new ATOM 0 HB ILE A 57 5.032 6.840 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.073 9.291 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.932 9.298 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.926 6.428 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.295 5.553 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.681 7.039 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.535 9.642 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.056 8.107 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.183 8.101 -1.546 1.00 0.00 H new ATOM 834 N ASN A 58 7.059 5.553 0.755 1.00 0.00 N ATOM 835 CA ASN A 58 7.770 4.284 0.824 1.00 0.00 C ATOM 836 C ASN A 58 6.828 3.148 1.215 1.00 0.00 C ATOM 837 O ASN A 58 5.726 3.384 1.717 1.00 0.00 O ATOM 838 CB ASN A 58 8.931 4.373 1.819 1.00 0.00 C ATOM 839 CG ASN A 58 10.266 4.028 1.185 1.00 0.00 C ATOM 840 OD1 ASN A 58 10.906 3.045 1.557 1.00 0.00 O ATOM 841 ND2 ASN A 58 10.693 4.838 0.221 1.00 0.00 N ATOM 0 H ASN A 58 6.671 5.870 1.644 1.00 0.00 H new ATOM 0 HA ASN A 58 8.171 4.070 -0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.977 5.382 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.743 3.697 2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.584 4.655 -0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.130 5.642 -0.056 1.00 0.00 H new ATOM 848 N VAL A 59 7.268 1.911 0.981 1.00 0.00 N ATOM 849 CA VAL A 59 6.467 0.735 1.305 1.00 0.00 C ATOM 850 C VAL A 59 7.334 -0.391 1.874 1.00 0.00 C ATOM 851 O VAL A 59 8.509 -0.521 1.524 1.00 0.00 O ATOM 852 CB VAL A 59 5.707 0.220 0.063 1.00 0.00 C ATOM 853 CG1 VAL A 59 6.677 -0.196 -1.036 1.00 0.00 C ATOM 854 CG2 VAL A 59 4.781 -0.931 0.435 1.00 0.00 C ATOM 0 H VAL A 59 8.176 1.700 0.568 1.00 0.00 H new ATOM 0 HA VAL A 59 5.745 1.040 2.063 1.00 0.00 H new ATOM 0 HB VAL A 59 5.095 1.036 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.117 -0.555 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.285 0.660 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.325 -0.992 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.256 -1.278 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.367 -1.749 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.056 -0.590 1.174 1.00 0.00 H new ATOM 864 N LEU A 60 6.741 -1.204 2.747 1.00 0.00 N ATOM 865 CA LEU A 60 7.451 -2.323 3.360 1.00 0.00 C ATOM 866 C LEU A 60 6.847 -3.655 2.916 1.00 0.00 C ATOM 867 O LEU A 60 5.676 -3.930 3.176 1.00 0.00 O ATOM 868 CB LEU A 60 7.409 -2.203 4.887 1.00 0.00 C ATOM 869 CG LEU A 60 8.737 -1.820 5.547 1.00 0.00 C ATOM 870 CD1 LEU A 60 9.255 -0.503 4.986 1.00 0.00 C ATOM 871 CD2 LEU A 60 8.573 -1.732 7.059 1.00 0.00 C ATOM 0 H LEU A 60 5.770 -1.108 3.045 1.00 0.00 H new ATOM 0 HA LEU A 60 8.490 -2.292 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.660 -1.459 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.077 -3.155 5.301 1.00 0.00 H new ATOM 0 HG LEU A 60 9.469 -2.596 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.199 -0.249 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.411 -0.601 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.527 0.285 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.526 -1.459 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.826 -0.976 7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.250 -2.698 7.447 1.00 0.00 H new ATOM 883 N ARG A 61 7.657 -4.473 2.244 1.00 0.00 N ATOM 884 CA ARG A 61 7.208 -5.778 1.760 1.00 0.00 C ATOM 885 C ARG A 61 8.258 -6.850 2.054 1.00 0.00 C ATOM 886 O ARG A 61 9.100 -7.154 1.209 1.00 0.00 O ATOM 887 CB ARG A 61 6.919 -5.715 0.255 1.00 0.00 C ATOM 888 CG ARG A 61 6.047 -6.855 -0.247 1.00 0.00 C ATOM 889 CD ARG A 61 6.873 -7.928 -0.943 1.00 0.00 C ATOM 890 NE ARG A 61 6.219 -9.235 -0.906 1.00 0.00 N ATOM 891 CZ ARG A 61 6.853 -10.394 -1.109 1.00 0.00 C ATOM 892 NH1 ARG A 61 8.155 -10.414 -1.376 1.00 0.00 N ATOM 893 NH2 ARG A 61 6.178 -11.534 -1.051 1.00 0.00 N ATOM 0 H ARG A 61 8.628 -4.255 2.022 1.00 0.00 H new ATOM 0 HA ARG A 61 6.289 -6.043 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.430 -4.768 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.864 -5.725 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.507 -7.297 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.300 -6.465 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.044 -7.638 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.851 -7.999 -0.466 1.00 0.00 H new ATOM 0 HE ARG A 61 5.218 -9.264 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.679 -9.540 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.631 -11.303 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.178 -11.525 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.659 -12.420 -1.206 1.00 0.00 H new ATOM 907 N ASN A 62 8.201 -7.412 3.263 1.00 0.00 N ATOM 908 CA ASN A 62 9.146 -8.449 3.688 1.00 0.00 C ATOM 909 C ASN A 62 10.591 -7.933 3.694 1.00 0.00 C ATOM 910 O ASN A 62 11.536 -8.723 3.717 1.00 0.00 O ATOM 911 CB ASN A 62 9.033 -9.681 2.777 1.00 0.00 C ATOM 912 CG ASN A 62 8.064 -10.720 3.316 1.00 0.00 C ATOM 913 OD1 ASN A 62 7.358 -10.478 4.296 1.00 0.00 O ATOM 914 ND2 ASN A 62 8.022 -11.884 2.677 1.00 0.00 N ATOM 0 H ASN A 62 7.507 -7.165 3.969 1.00 0.00 H new ATOM 0 HA ASN A 62 8.886 -8.730 4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.708 -9.366 1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.018 -10.134 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.388 -12.617 2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.624 -12.044 1.869 1.00 0.00 H new ATOM 921 N GLY A 63 10.761 -6.607 3.671 1.00 0.00 N ATOM 922 CA GLY A 63 12.094 -6.030 3.669 1.00 0.00 C ATOM 923 C GLY A 63 12.636 -5.835 2.263 1.00 0.00 C ATOM 924 O GLY A 63 13.850 -5.785 2.064 1.00 0.00 O ATOM 0 H GLY A 63 10.000 -5.928 3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.073 -5.070 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.769 -6.677 4.229 1.00 0.00 H new ATOM 928 N GLU A 64 11.731 -5.732 1.287 1.00 0.00 N ATOM 929 CA GLU A 64 12.116 -5.548 -0.106 1.00 0.00 C ATOM 930 C GLU A 64 11.943 -4.091 -0.529 1.00 0.00 C ATOM 931 O GLU A 64 11.252 -3.316 0.138 1.00 0.00 O ATOM 932 CB GLU A 64 11.274 -6.455 -1.005 1.00 0.00 C ATOM 933 CG GLU A 64 12.034 -7.023 -2.196 1.00 0.00 C ATOM 934 CD GLU A 64 13.185 -7.929 -1.790 1.00 0.00 C ATOM 935 OE1 GLU A 64 13.008 -8.735 -0.850 1.00 0.00 O ATOM 936 OE2 GLU A 64 14.261 -7.834 -2.415 1.00 0.00 O ATOM 0 H GLU A 64 10.724 -5.774 1.441 1.00 0.00 H new ATOM 0 HA GLU A 64 13.168 -5.814 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.884 -7.280 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.415 -5.892 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.344 -7.583 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.421 -6.201 -2.798 1.00 0.00 H new ATOM 943 N ALA A 65 12.575 -3.728 -1.642 1.00 0.00 N ATOM 944 CA ALA A 65 12.497 -2.367 -2.168 1.00 0.00 C ATOM 945 C ALA A 65 11.486 -2.267 -3.311 1.00 0.00 C ATOM 946 O ALA A 65 11.776 -2.667 -4.439 1.00 0.00 O ATOM 947 CB ALA A 65 13.872 -1.892 -2.624 1.00 0.00 C ATOM 0 H ALA A 65 13.149 -4.360 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 65 12.152 -1.717 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.796 -0.877 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.561 -1.906 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.244 -2.553 -3.407 1.00 0.00 H new ATOM 953 N ALA A 66 10.304 -1.718 -3.009 1.00 0.00 N ATOM 954 CA ALA A 66 9.239 -1.547 -4.002 1.00 0.00 C ATOM 955 C ALA A 66 8.887 -2.865 -4.693 1.00 0.00 C ATOM 956 O ALA A 66 9.540 -3.265 -5.661 1.00 0.00 O ATOM 957 CB ALA A 66 9.640 -0.495 -5.028 1.00 0.00 C ATOM 0 H ALA A 66 10.060 -1.382 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 66 8.347 -1.209 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.841 -0.377 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.814 0.456 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.552 -0.810 -5.535 1.00 0.00 H new ATOM 963 N ALA A 67 7.848 -3.534 -4.191 1.00 0.00 N ATOM 964 CA ALA A 67 7.401 -4.807 -4.752 1.00 0.00 C ATOM 965 C ALA A 67 6.137 -4.634 -5.591 1.00 0.00 C ATOM 966 O ALA A 67 5.261 -3.834 -5.255 1.00 0.00 O ATOM 967 CB ALA A 67 7.160 -5.818 -3.641 1.00 0.00 C ATOM 0 H ALA A 67 7.299 -3.213 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 67 8.190 -5.178 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.827 -6.762 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.086 -5.979 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.394 -5.439 -2.964 1.00 0.00 H new ATOM 973 N LEU A 68 6.043 -5.398 -6.679 1.00 0.00 N ATOM 974 CA LEU A 68 4.883 -5.345 -7.568 1.00 0.00 C ATOM 975 C LEU A 68 4.550 -6.728 -8.115 1.00 0.00 C ATOM 976 O LEU A 68 3.409 -7.184 -8.019 1.00 0.00 O ATOM 977 CB LEU A 68 5.129 -4.378 -8.731 1.00 0.00 C ATOM 978 CG LEU A 68 3.937 -4.192 -9.678 1.00 0.00 C ATOM 979 CD1 LEU A 68 3.876 -2.761 -10.190 1.00 0.00 C ATOM 980 CD2 LEU A 68 4.014 -5.173 -10.844 1.00 0.00 C ATOM 0 H LEU A 68 6.760 -6.064 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 68 4.037 -4.985 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.406 -3.406 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.981 -4.736 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 68 3.025 -4.397 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.023 -2.650 -10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.767 -2.078 -9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.794 -2.528 -10.729 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.159 -5.023 -11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.935 -5.004 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.003 -6.194 -10.462 1.00 0.00 H new ATOM 992 N GLY A 69 5.553 -7.390 -8.692 1.00 0.00 N ATOM 993 CA GLY A 69 5.353 -8.714 -9.252 1.00 0.00 C ATOM 994 C GLY A 69 5.337 -9.811 -8.199 1.00 0.00 C ATOM 995 O GLY A 69 6.072 -10.793 -8.313 1.00 0.00 O ATOM 0 H GLY A 69 6.503 -7.029 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.411 -8.731 -9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.145 -8.921 -9.972 1.00 0.00 H new ATOM 999 N GLU A 70 4.492 -9.650 -7.178 1.00 0.00 N ATOM 1000 CA GLU A 70 4.383 -10.639 -6.111 1.00 0.00 C ATOM 1001 C GLU A 70 2.941 -11.132 -5.946 1.00 0.00 C ATOM 1002 O GLU A 70 2.570 -11.646 -4.888 1.00 0.00 O ATOM 1003 CB GLU A 70 4.904 -10.059 -4.795 1.00 0.00 C ATOM 1004 CG GLU A 70 6.394 -10.285 -4.593 1.00 0.00 C ATOM 1005 CD GLU A 70 7.212 -9.018 -4.755 1.00 0.00 C ATOM 1006 OE1 GLU A 70 6.976 -8.274 -5.734 1.00 0.00 O ATOM 1007 OE2 GLU A 70 8.091 -8.769 -3.904 1.00 0.00 O ATOM 0 H GLU A 70 3.876 -8.844 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 70 4.996 -11.497 -6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.698 -8.989 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.358 -10.509 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.562 -10.695 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.743 -11.030 -5.308 1.00 0.00 H new ATOM 1014 N ALA A 71 2.134 -10.988 -7.002 1.00 0.00 N ATOM 1015 CA ALA A 71 0.741 -11.434 -6.977 1.00 0.00 C ATOM 1016 C ALA A 71 0.642 -12.918 -6.613 1.00 0.00 C ATOM 1017 O ALA A 71 -0.345 -13.354 -6.019 1.00 0.00 O ATOM 1018 CB ALA A 71 0.085 -11.183 -8.326 1.00 0.00 C ATOM 0 H ALA A 71 2.423 -10.566 -7.884 1.00 0.00 H new ATOM 0 HA ALA A 71 0.217 -10.861 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.951 -11.519 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.114 -10.117 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.622 -11.733 -9.099 1.00 0.00 H new ATOM 1024 N THR A 72 1.672 -13.689 -6.975 1.00 0.00 N ATOM 1025 CA THR A 72 1.705 -15.123 -6.690 1.00 0.00 C ATOM 1026 C THR A 72 2.461 -15.416 -5.388 1.00 0.00 C ATOM 1027 O THR A 72 3.079 -16.474 -5.246 1.00 0.00 O ATOM 1028 CB THR A 72 2.355 -15.877 -7.857 1.00 0.00 C ATOM 1029 OG1 THR A 72 3.346 -15.081 -8.483 1.00 0.00 O ATOM 1030 CG2 THR A 72 1.366 -16.297 -8.922 1.00 0.00 C ATOM 0 H THR A 72 2.495 -13.341 -7.467 1.00 0.00 H new ATOM 0 HA THR A 72 0.678 -15.465 -6.567 1.00 0.00 H new ATOM 0 HB THR A 72 2.791 -16.772 -7.413 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.749 -15.582 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.891 -16.825 -9.718 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.616 -16.955 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.877 -15.414 -9.333 1.00 0.00 H new ATOM 1038 N ALA A 73 2.403 -14.483 -4.437 1.00 0.00 N ATOM 1039 CA ALA A 73 3.075 -14.649 -3.153 1.00 0.00 C ATOM 1040 C ALA A 73 2.088 -15.067 -2.066 1.00 0.00 C ATOM 1041 O ALA A 73 0.912 -15.308 -2.342 1.00 0.00 O ATOM 1042 CB ALA A 73 3.795 -13.364 -2.766 1.00 0.00 C ATOM 0 H ALA A 73 1.896 -13.603 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 73 3.813 -15.445 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.293 -13.501 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.536 -13.119 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.073 -12.552 -2.688 1.00 0.00 H new ATOM 1048 N ALA A 74 2.575 -15.156 -0.827 1.00 0.00 N ATOM 1049 CA ALA A 74 1.738 -15.553 0.306 1.00 0.00 C ATOM 1050 C ALA A 74 0.749 -14.448 0.688 1.00 0.00 C ATOM 1051 O ALA A 74 -0.358 -14.732 1.147 1.00 0.00 O ATOM 1052 CB ALA A 74 2.603 -15.927 1.500 1.00 0.00 C ATOM 0 H ALA A 74 3.545 -14.958 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 74 1.160 -16.426 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.965 -16.220 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.254 -16.759 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.211 -15.070 1.791 1.00 0.00 H new ATOM 1058 N GLY A 75 1.157 -13.194 0.502 1.00 0.00 N ATOM 1059 CA GLY A 75 0.295 -12.071 0.831 1.00 0.00 C ATOM 1060 C GLY A 75 0.504 -10.887 -0.093 1.00 0.00 C ATOM 1061 O GLY A 75 0.401 -11.020 -1.313 1.00 0.00 O ATOM 0 H GLY A 75 2.071 -12.936 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.746 -12.389 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.483 -11.762 1.859 1.00 0.00 H new ATOM 1065 N ASP A 76 0.800 -9.726 0.488 1.00 0.00 N ATOM 1066 CA ASP A 76 1.026 -8.512 -0.291 1.00 0.00 C ATOM 1067 C ASP A 76 2.226 -7.741 0.247 1.00 0.00 C ATOM 1068 O ASP A 76 3.320 -7.812 -0.312 1.00 0.00 O ATOM 1069 CB ASP A 76 -0.221 -7.622 -0.280 1.00 0.00 C ATOM 1070 CG ASP A 76 -1.308 -8.137 -1.203 1.00 0.00 C ATOM 1071 OD1 ASP A 76 -1.213 -7.897 -2.425 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -2.255 -8.778 -0.701 1.00 0.00 O ATOM 0 H ASP A 76 0.889 -9.601 1.496 1.00 0.00 H new ATOM 0 HA ASP A 76 1.235 -8.806 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.611 -7.560 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.055 -6.611 -0.578 1.00 0.00 H new ATOM 1077 N GLU A 77 2.011 -7.007 1.337 1.00 0.00 N ATOM 1078 CA GLU A 77 3.070 -6.222 1.958 1.00 0.00 C ATOM 1079 C GLU A 77 2.876 -6.160 3.472 1.00 0.00 C ATOM 1080 O GLU A 77 2.095 -6.928 4.037 1.00 0.00 O ATOM 1081 CB GLU A 77 3.091 -4.809 1.362 1.00 0.00 C ATOM 1082 CG GLU A 77 1.882 -3.967 1.739 1.00 0.00 C ATOM 1083 CD GLU A 77 1.953 -2.562 1.175 1.00 0.00 C ATOM 1084 OE1 GLU A 77 2.178 -2.421 -0.044 1.00 0.00 O ATOM 1085 OE2 GLU A 77 1.779 -1.601 1.951 1.00 0.00 O ATOM 0 H GLU A 77 1.109 -6.941 1.808 1.00 0.00 H new ATOM 0 HA GLU A 77 4.027 -6.704 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.995 -4.298 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.146 -4.883 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.977 -4.455 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.804 -3.915 2.825 1.00 0.00 H new ATOM 1092 N LEU A 78 3.585 -5.241 4.124 1.00 0.00 N ATOM 1093 CA LEU A 78 3.486 -5.074 5.566 1.00 0.00 C ATOM 1094 C LEU A 78 2.844 -3.733 5.909 1.00 0.00 C ATOM 1095 O LEU A 78 1.880 -3.674 6.673 1.00 0.00 O ATOM 1096 CB LEU A 78 4.876 -5.172 6.203 1.00 0.00 C ATOM 1097 CG LEU A 78 4.970 -6.076 7.433 1.00 0.00 C ATOM 1098 CD1 LEU A 78 4.494 -7.482 7.102 1.00 0.00 C ATOM 1099 CD2 LEU A 78 6.398 -6.104 7.961 1.00 0.00 C ATOM 0 H LEU A 78 4.236 -4.600 3.671 1.00 0.00 H new ATOM 0 HA LEU A 78 2.856 -5.869 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.577 -5.535 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.200 -4.170 6.484 1.00 0.00 H new ATOM 0 HG LEU A 78 4.322 -5.671 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.569 -8.110 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.457 -7.446 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.115 -7.899 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.450 -6.751 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.064 -6.486 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.704 -5.095 8.237 1.00 0.00 H new ATOM 1111 N ALA A 79 3.386 -2.659 5.333 1.00 0.00 N ATOM 1112 CA ALA A 79 2.872 -1.312 5.573 1.00 0.00 C ATOM 1113 C ALA A 79 3.181 -0.383 4.393 1.00 0.00 C ATOM 1114 O ALA A 79 3.983 -0.721 3.520 1.00 0.00 O ATOM 1115 CB ALA A 79 3.469 -0.749 6.855 1.00 0.00 C ATOM 0 H ALA A 79 4.182 -2.697 4.696 1.00 0.00 H new ATOM 0 HA ALA A 79 1.789 -1.374 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.081 0.255 7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.200 -1.391 7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.554 -0.708 6.763 1.00 0.00 H new ATOM 1121 N LEU A 80 2.540 0.785 4.379 1.00 0.00 N ATOM 1122 CA LEU A 80 2.733 1.774 3.314 1.00 0.00 C ATOM 1123 C LEU A 80 2.773 3.193 3.893 1.00 0.00 C ATOM 1124 O LEU A 80 1.727 3.797 4.147 1.00 0.00 O ATOM 1125 CB LEU A 80 1.602 1.662 2.281 1.00 0.00 C ATOM 1126 CG LEU A 80 2.026 1.774 0.812 1.00 0.00 C ATOM 1127 CD1 LEU A 80 0.853 1.448 -0.102 1.00 0.00 C ATOM 1128 CD2 LEU A 80 2.564 3.165 0.509 1.00 0.00 C ATOM 0 H LEU A 80 1.877 1.073 5.099 1.00 0.00 H new ATOM 0 HA LEU A 80 3.686 1.572 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.100 0.705 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.868 2.441 2.488 1.00 0.00 H new ATOM 0 HG LEU A 80 2.823 1.053 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.168 1.531 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.511 0.432 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.039 2.147 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.859 3.221 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.790 3.906 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.430 3.366 1.140 1.00 0.00 H new ATOM 1140 N PHE A 81 3.976 3.724 4.106 1.00 0.00 N ATOM 1141 CA PHE A 81 4.127 5.072 4.661 1.00 0.00 C ATOM 1142 C PHE A 81 5.402 5.750 4.155 1.00 0.00 C ATOM 1143 O PHE A 81 6.397 5.082 3.868 1.00 0.00 O ATOM 1144 CB PHE A 81 4.135 5.022 6.197 1.00 0.00 C ATOM 1145 CG PHE A 81 5.141 4.063 6.773 1.00 0.00 C ATOM 1146 CD1 PHE A 81 6.460 4.448 6.956 1.00 0.00 C ATOM 1147 CD2 PHE A 81 4.769 2.776 7.128 1.00 0.00 C ATOM 1148 CE1 PHE A 81 7.388 3.569 7.480 1.00 0.00 C ATOM 1149 CE2 PHE A 81 5.692 1.892 7.654 1.00 0.00 C ATOM 1150 CZ PHE A 81 7.003 2.289 7.830 1.00 0.00 C ATOM 0 H PHE A 81 4.855 3.247 3.905 1.00 0.00 H new ATOM 0 HA PHE A 81 3.275 5.662 4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.339 6.021 6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.141 4.743 6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.766 5.448 6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.745 2.460 6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.413 3.882 7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.388 0.892 7.927 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.726 1.600 8.241 1.00 0.00 H new ATOM 1160 N PRO A 82 5.389 7.098 4.035 1.00 0.00 N ATOM 1161 CA PRO A 82 6.550 7.869 3.563 1.00 0.00 C ATOM 1162 C PRO A 82 7.818 7.603 4.385 1.00 0.00 C ATOM 1163 O PRO A 82 8.879 7.338 3.814 1.00 0.00 O ATOM 1164 CB PRO A 82 6.106 9.330 3.704 1.00 0.00 C ATOM 1165 CG PRO A 82 4.617 9.282 3.708 1.00 0.00 C ATOM 1166 CD PRO A 82 4.242 7.974 4.352 1.00 0.00 C ATOM 0 HA PRO A 82 6.821 7.594 2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.489 9.772 4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.479 9.937 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.202 10.123 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.223 9.344 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.103 8.081 5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.310 7.579 3.947 1.00 0.00 H new ATOM 1174 N PRO A 83 7.736 7.670 5.736 1.00 0.00 N ATOM 1175 CA PRO A 83 8.893 7.432 6.616 1.00 0.00 C ATOM 1176 C PRO A 83 9.633 6.134 6.291 1.00 0.00 C ATOM 1177 O PRO A 83 9.082 5.234 5.655 1.00 0.00 O ATOM 1178 CB PRO A 83 8.263 7.346 8.008 1.00 0.00 C ATOM 1179 CG PRO A 83 7.021 8.160 7.914 1.00 0.00 C ATOM 1180 CD PRO A 83 6.516 7.984 6.510 1.00 0.00 C ATOM 0 HA PRO A 83 9.644 8.215 6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.040 6.314 8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.936 7.737 8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.280 7.826 8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.225 9.209 8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.783 7.180 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.030 8.888 6.143 1.00 0.00 H new ATOM 1188 N VAL A 84 10.888 6.041 6.736 1.00 0.00 N ATOM 1189 CA VAL A 84 11.700 4.852 6.494 1.00 0.00 C ATOM 1190 C VAL A 84 12.741 4.653 7.598 1.00 0.00 C ATOM 1191 O VAL A 84 13.628 5.490 7.787 1.00 0.00 O ATOM 1192 CB VAL A 84 12.399 4.923 5.116 1.00 0.00 C ATOM 1193 CG1 VAL A 84 13.343 6.116 5.036 1.00 0.00 C ATOM 1194 CG2 VAL A 84 13.139 3.627 4.818 1.00 0.00 C ATOM 0 H VAL A 84 11.361 6.774 7.264 1.00 0.00 H new ATOM 0 HA VAL A 84 11.025 3.996 6.498 1.00 0.00 H new ATOM 0 HB VAL A 84 11.627 5.058 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.819 6.138 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.779 7.037 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.107 6.028 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.623 3.700 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.893 3.454 5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.432 2.798 4.811 1.00 0.00 H new ATOM 1204 N SER A 85 12.618 3.537 8.323 1.00 0.00 N ATOM 1205 CA SER A 85 13.535 3.197 9.417 1.00 0.00 C ATOM 1206 C SER A 85 13.444 4.211 10.559 1.00 0.00 C ATOM 1207 O SER A 85 13.857 5.363 10.412 1.00 0.00 O ATOM 1208 CB SER A 85 14.977 3.109 8.906 1.00 0.00 C ATOM 1209 OG SER A 85 15.297 1.786 8.512 1.00 0.00 O ATOM 0 H SER A 85 11.884 2.846 8.170 1.00 0.00 H new ATOM 0 HA SER A 85 13.236 2.223 9.804 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.109 3.786 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.664 3.436 9.687 1.00 0.00 H new ATOM 0 HG SER A 85 16.221 1.756 8.188 1.00 0.00 H new ATOM 1215 N GLY A 86 12.904 3.770 11.695 1.00 0.00 N ATOM 1216 CA GLY A 86 12.767 4.644 12.849 1.00 0.00 C ATOM 1217 C GLY A 86 13.086 3.940 14.154 1.00 0.00 C ATOM 1218 O GLY A 86 14.147 4.162 14.740 1.00 0.00 O ATOM 0 H GLY A 86 12.559 2.821 11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.430 5.502 12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.749 5.031 12.888 1.00 0.00 H new ATOM 1222 N GLY A 87 12.166 3.090 14.610 1.00 0.00 N ATOM 1223 CA GLY A 87 12.368 2.363 15.853 1.00 0.00 C ATOM 1224 C GLY A 87 11.843 3.114 17.061 1.00 0.00 C ATOM 1225 O GLY A 87 12.211 4.295 17.235 1.00 0.00 O ATOM 0 H GLY A 87 11.283 2.892 14.139 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.871 1.395 15.788 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.432 2.167 15.986 1.00 0.00 H new TER 1229 GLY A 87