USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 929 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 26 THR OG1 : rot -23:sc= 0.151 USER MOD Single : A 28 SER OG : rot 58:sc= -0.905 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -4.57! C(o=-7!,f=-4.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= -0.0153 (180deg=-0.199) USER MOD Single : A 39 THR OG1 : rot 29:sc= 0.725 USER MOD Single : A 42 SER OG : rot -58:sc= 0.0891 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 46 SER OG : rot 180:sc= -1.37 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 74:sc= 0.535 USER MOD Single : A 66 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.4) USER MOD Single : A 67 TYR OH : rot 0:sc= 0 USER MOD Single : A 75 THR OG1 : rot -97:sc= -0.917 USER MOD Single : A 80 CYS SG : rot 180:sc= -2.93! USER MOD Single : A 84 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.971) USER MOD Single : B 31 SER OG : rot 6:sc= -1.89! USER MOD Single : B 35 SER OG : rot -17:sc= -0.576 USER MOD Single : B 38 LYS NZ :NH3+ -167:sc= -0.874! (180deg=-1.55!) USER MOD Single : B 40 THR OG1 : rot -130:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ -145:sc= 1.05 (180deg=0.379) USER MOD Single : B 43 LYS NZ :NH3+ 145:sc= 0.579 (180deg=-3.91!) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0.0197 USER MOD Single : B 57 TYR OH : rot -126:sc= 1.31 USER MOD Single : B 60 MET CE :methyl 175:sc= -0.172 (180deg=-0.247) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN :FLIP amide:sc= -0.215 F(o=-1.1,f=-0.22) USER MOD Single : B 68 ASN : amide:sc= -1.55 K(o=-1.5,f=-6.5!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -19.965 -9.438 -3.825 1.00 0.00 N ATOM 2 CA THR A 26 -20.571 -8.091 -3.798 1.00 0.00 C ATOM 3 C THR A 26 -19.751 -7.102 -4.626 1.00 0.00 C ATOM 4 O THR A 26 -20.255 -6.059 -5.045 1.00 0.00 O ATOM 5 CB THR A 26 -20.684 -7.578 -2.350 1.00 0.00 C ATOM 6 OG1 THR A 26 -19.413 -7.675 -1.696 1.00 0.00 O ATOM 7 CG2 THR A 26 -21.715 -8.379 -1.570 1.00 0.00 C ATOM 0 HA THR A 26 -21.568 -8.169 -4.232 1.00 0.00 H new ATOM 0 HB THR A 26 -21.002 -6.536 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.867 -8.356 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 26 -21.777 -7.998 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 26 -22.688 -8.286 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 26 -21.420 -9.428 -1.548 1.00 0.00 H new ATOM 15 N GLY A 27 -18.491 -7.441 -4.873 1.00 0.00 N ATOM 16 CA GLY A 27 -17.624 -6.581 -5.649 1.00 0.00 C ATOM 17 C GLY A 27 -16.173 -6.772 -5.273 1.00 0.00 C ATOM 18 O GLY A 27 -15.750 -6.351 -4.197 1.00 0.00 O ATOM 0 H GLY A 27 -18.054 -8.303 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -17.757 -6.791 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -17.907 -5.540 -5.492 1.00 0.00 H new ATOM 22 N SER A 28 -15.418 -7.427 -6.150 1.00 0.00 N ATOM 23 CA SER A 28 -14.004 -7.691 -5.912 1.00 0.00 C ATOM 24 C SER A 28 -13.842 -8.586 -4.676 1.00 0.00 C ATOM 25 O SER A 28 -14.705 -9.424 -4.403 1.00 0.00 O ATOM 26 CB SER A 28 -13.246 -6.364 -5.745 1.00 0.00 C ATOM 27 OG SER A 28 -11.847 -6.568 -5.674 1.00 0.00 O ATOM 0 H SER A 28 -15.766 -7.787 -7.039 1.00 0.00 H new ATOM 0 HA SER A 28 -13.581 -8.217 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.476 -5.705 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.587 -5.861 -4.840 1.00 0.00 H new ATOM 0 HG SER A 28 -11.542 -7.029 -6.483 1.00 0.00 H new ATOM 33 N LEU A 29 -12.736 -8.409 -3.951 1.00 0.00 N ATOM 34 CA LEU A 29 -12.448 -9.175 -2.738 1.00 0.00 C ATOM 35 C LEU A 29 -12.302 -10.660 -3.054 1.00 0.00 C ATOM 36 O LEU A 29 -13.283 -11.406 -3.089 1.00 0.00 O ATOM 37 CB LEU A 29 -13.538 -8.962 -1.682 1.00 0.00 C ATOM 38 CG LEU A 29 -13.834 -7.503 -1.330 1.00 0.00 C ATOM 39 CD1 LEU A 29 -14.880 -7.430 -0.230 1.00 0.00 C ATOM 40 CD2 LEU A 29 -12.563 -6.772 -0.915 1.00 0.00 C ATOM 0 H LEU A 29 -12.014 -7.729 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.503 -8.813 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.458 -9.427 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.246 -9.486 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.227 -7.009 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -15.082 -6.386 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.799 -7.908 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.511 -7.943 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.802 -5.737 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.131 -7.261 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.846 -6.794 -1.736 1.00 0.00 H new ATOM 52 N SER A 30 -11.070 -11.083 -3.279 1.00 0.00 N ATOM 53 CA SER A 30 -10.798 -12.455 -3.665 1.00 0.00 C ATOM 54 C SER A 30 -10.739 -13.360 -2.434 1.00 0.00 C ATOM 55 O SER A 30 -11.692 -14.087 -2.140 1.00 0.00 O ATOM 56 CB SER A 30 -9.488 -12.526 -4.459 1.00 0.00 C ATOM 57 OG SER A 30 -9.282 -13.815 -5.010 1.00 0.00 O ATOM 0 H SER A 30 -10.241 -10.494 -3.201 1.00 0.00 H new ATOM 0 HA SER A 30 -11.609 -12.809 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.506 -11.786 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.652 -12.270 -3.807 1.00 0.00 H new ATOM 0 HG SER A 30 -8.440 -13.826 -5.511 1.00 0.00 H new ATOM 63 N VAL A 31 -9.633 -13.288 -1.700 1.00 0.00 N ATOM 64 CA VAL A 31 -9.420 -14.141 -0.535 1.00 0.00 C ATOM 65 C VAL A 31 -8.775 -13.347 0.595 1.00 0.00 C ATOM 66 O VAL A 31 -8.455 -12.175 0.427 1.00 0.00 O ATOM 67 CB VAL A 31 -8.519 -15.346 -0.867 1.00 0.00 C ATOM 68 CG1 VAL A 31 -9.163 -16.247 -1.909 1.00 0.00 C ATOM 69 CG2 VAL A 31 -7.155 -14.869 -1.331 1.00 0.00 C ATOM 0 H VAL A 31 -8.866 -12.644 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.399 -14.508 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.391 -15.936 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.502 -17.088 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.114 -16.620 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.334 -15.680 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.528 -15.730 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.269 -14.253 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.687 -14.281 -0.541 1.00 0.00 H new ATOM 79 N ASP A 32 -8.556 -13.996 1.728 1.00 0.00 N ATOM 80 CA ASP A 32 -8.045 -13.313 2.915 1.00 0.00 C ATOM 81 C ASP A 32 -6.778 -13.978 3.441 1.00 0.00 C ATOM 82 O ASP A 32 -6.587 -14.109 4.652 1.00 0.00 O ATOM 83 CB ASP A 32 -9.117 -13.263 4.015 1.00 0.00 C ATOM 84 CG ASP A 32 -9.699 -14.623 4.351 1.00 0.00 C ATOM 85 OD1 ASP A 32 -10.689 -15.025 3.701 1.00 0.00 O1- ATOM 86 OD2 ASP A 32 -9.189 -15.291 5.273 1.00 0.00 O ATOM 0 H ASP A 32 -8.723 -14.994 1.855 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.792 -12.294 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.683 -12.829 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.922 -12.600 3.698 1.00 0.00 H new ATOM 91 N ASN A 33 -5.899 -14.376 2.525 1.00 0.00 N ATOM 92 CA ASN A 33 -4.632 -15.003 2.905 1.00 0.00 C ATOM 93 C ASN A 33 -3.754 -14.042 3.702 1.00 0.00 C ATOM 94 O ASN A 33 -3.006 -14.453 4.588 1.00 0.00 O ATOM 95 CB ASN A 33 -3.877 -15.547 1.677 1.00 0.00 C ATOM 96 CG ASN A 33 -3.899 -14.646 0.444 1.00 0.00 C ATOM 97 OD1 ASN A 33 -3.752 -13.345 0.627 1.00 0.00 O flip ATOM 98 ND2 ASN A 33 -3.994 -15.136 -0.680 1.00 0.00 N flip ATOM 0 H ASN A 33 -6.038 -14.277 1.519 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.872 -15.850 3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.839 -15.724 1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.303 -16.513 1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.107 -16.144 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.960 -14.535 -1.503 1.00 0.00 H new ATOM 105 N LYS A 34 -3.847 -12.767 3.369 1.00 0.00 N ATOM 106 CA LYS A 34 -3.174 -11.707 4.111 1.00 0.00 C ATOM 107 C LYS A 34 -4.162 -10.575 4.347 1.00 0.00 C ATOM 108 O LYS A 34 -5.013 -10.311 3.498 1.00 0.00 O ATOM 109 CB LYS A 34 -1.939 -11.171 3.362 1.00 0.00 C ATOM 110 CG LYS A 34 -0.753 -12.132 3.313 1.00 0.00 C ATOM 111 CD LYS A 34 -0.949 -13.213 2.264 1.00 0.00 C ATOM 112 CE LYS A 34 0.062 -14.338 2.408 1.00 0.00 C ATOM 113 NZ LYS A 34 1.453 -13.901 2.107 1.00 0.00 N1+ ATOM 0 H LYS A 34 -4.392 -12.433 2.574 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.825 -12.119 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.230 -10.923 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.618 -10.244 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.158 -11.575 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.618 -12.594 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.957 -13.619 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.863 -12.773 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.021 -14.731 3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.211 -15.154 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.102 -14.706 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.503 -13.551 1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.727 -13.141 2.761 1.00 0.00 H new ATOM 127 N LYS A 35 -4.066 -9.918 5.492 1.00 0.00 N ATOM 128 CA LYS A 35 -4.985 -8.838 5.813 1.00 0.00 C ATOM 129 C LYS A 35 -4.380 -7.483 5.471 1.00 0.00 C ATOM 130 O LYS A 35 -3.304 -7.120 5.946 1.00 0.00 O ATOM 131 CB LYS A 35 -5.403 -8.883 7.288 1.00 0.00 C ATOM 132 CG LYS A 35 -4.248 -9.030 8.266 1.00 0.00 C ATOM 133 CD LYS A 35 -4.702 -8.773 9.695 1.00 0.00 C ATOM 134 CE LYS A 35 -3.623 -9.124 10.706 1.00 0.00 C ATOM 135 NZ LYS A 35 -3.361 -10.585 10.750 1.00 0.00 N1+ ATOM 0 H LYS A 35 -3.367 -10.111 6.209 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.878 -8.977 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.950 -7.971 7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.093 -9.715 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.829 -10.033 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.454 -8.332 8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.975 -7.724 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.597 -9.359 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.703 -8.597 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.926 -8.779 11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.820 -10.815 11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.265 -11.100 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.815 -10.865 9.910 1.00 0.00 H new ATOM 149 N PHE A 36 -5.073 -6.742 4.627 1.00 0.00 N ATOM 150 CA PHE A 36 -4.638 -5.412 4.243 1.00 0.00 C ATOM 151 C PHE A 36 -5.647 -4.393 4.747 1.00 0.00 C ATOM 152 O PHE A 36 -6.850 -4.610 4.635 1.00 0.00 O ATOM 153 CB PHE A 36 -4.510 -5.314 2.723 1.00 0.00 C ATOM 154 CG PHE A 36 -3.797 -6.483 2.100 1.00 0.00 C ATOM 155 CD1 PHE A 36 -2.418 -6.579 2.151 1.00 0.00 C ATOM 156 CD2 PHE A 36 -4.511 -7.486 1.460 1.00 0.00 C ATOM 157 CE1 PHE A 36 -1.762 -7.652 1.578 1.00 0.00 C ATOM 158 CE2 PHE A 36 -3.861 -8.560 0.884 1.00 0.00 C ATOM 159 CZ PHE A 36 -2.484 -8.643 0.942 1.00 0.00 C ATOM 0 H PHE A 36 -5.946 -7.041 4.192 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.662 -5.210 4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.506 -5.233 2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.977 -4.398 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.847 -5.806 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.588 -7.426 1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.685 -7.716 1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.429 -9.334 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.973 -9.481 0.491 1.00 0.00 H new ATOM 169 N TRP A 37 -5.170 -3.298 5.312 1.00 0.00 N ATOM 170 CA TRP A 37 -6.062 -2.286 5.859 1.00 0.00 C ATOM 171 C TRP A 37 -6.122 -1.057 4.965 1.00 0.00 C ATOM 172 O TRP A 37 -5.094 -0.568 4.505 1.00 0.00 O ATOM 173 CB TRP A 37 -5.614 -1.886 7.265 1.00 0.00 C ATOM 174 CG TRP A 37 -5.782 -2.983 8.269 1.00 0.00 C ATOM 175 CD1 TRP A 37 -4.822 -3.840 8.725 1.00 0.00 C ATOM 176 CD2 TRP A 37 -6.994 -3.343 8.934 1.00 0.00 C ATOM 177 NE1 TRP A 37 -5.366 -4.708 9.641 1.00 0.00 N ATOM 178 CE2 TRP A 37 -6.699 -4.424 9.785 1.00 0.00 C ATOM 179 CE3 TRP A 37 -8.302 -2.853 8.893 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -7.666 -5.020 10.588 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -9.260 -3.447 9.690 1.00 0.00 C ATOM 182 CH2 TRP A 37 -8.938 -4.520 10.528 1.00 0.00 C ATOM 0 H TRP A 37 -4.177 -3.086 5.405 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.061 -2.718 5.910 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.566 -1.587 7.235 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.185 -1.015 7.588 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.788 -3.836 8.412 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.860 -5.444 10.134 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -8.559 -2.025 8.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.421 -5.848 11.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -10.275 -3.077 9.666 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.710 -4.963 11.140 1.00 0.00 H new ATOM 193 N ALA A 38 -7.331 -0.579 4.714 1.00 0.00 N ATOM 194 CA ALA A 38 -7.544 0.644 3.956 1.00 0.00 C ATOM 195 C ALA A 38 -8.574 1.516 4.664 1.00 0.00 C ATOM 196 O ALA A 38 -9.725 1.110 4.839 1.00 0.00 O ATOM 197 CB ALA A 38 -8.017 0.320 2.544 1.00 0.00 C ATOM 0 H ALA A 38 -8.191 -1.027 5.030 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.600 1.185 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.172 1.246 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.264 -0.284 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.954 -0.234 2.592 1.00 0.00 H new ATOM 203 N THR A 39 -8.168 2.697 5.101 1.00 0.00 N ATOM 204 CA THR A 39 -9.110 3.624 5.696 1.00 0.00 C ATOM 205 C THR A 39 -9.693 4.528 4.615 1.00 0.00 C ATOM 206 O THR A 39 -8.964 5.142 3.831 1.00 0.00 O ATOM 207 CB THR A 39 -8.495 4.455 6.855 1.00 0.00 C ATOM 208 OG1 THR A 39 -9.482 5.340 7.406 1.00 0.00 O ATOM 209 CG2 THR A 39 -7.280 5.254 6.410 1.00 0.00 C ATOM 0 H THR A 39 -7.205 3.031 5.055 1.00 0.00 H new ATOM 0 HA THR A 39 -9.910 3.036 6.146 1.00 0.00 H new ATOM 0 HB THR A 39 -8.164 3.749 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.373 4.950 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.886 5.818 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.513 4.574 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.569 5.943 5.617 1.00 0.00 H new ATOM 217 N VAL A 40 -11.016 4.569 4.557 1.00 0.00 N ATOM 218 CA VAL A 40 -11.723 5.275 3.500 1.00 0.00 C ATOM 219 C VAL A 40 -12.512 6.439 4.081 1.00 0.00 C ATOM 220 O VAL A 40 -12.967 6.379 5.226 1.00 0.00 O ATOM 221 CB VAL A 40 -12.700 4.339 2.754 1.00 0.00 C ATOM 222 CG1 VAL A 40 -12.829 4.742 1.297 1.00 0.00 C ATOM 223 CG2 VAL A 40 -12.270 2.887 2.881 1.00 0.00 C ATOM 0 H VAL A 40 -11.626 4.116 5.237 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.976 5.642 2.796 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.681 4.438 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -13.522 4.068 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.205 5.763 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.853 4.685 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.975 2.251 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.275 2.764 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.251 2.604 3.933 1.00 0.00 H new ATOM 233 N GLU A 41 -12.678 7.490 3.294 1.00 0.00 N ATOM 234 CA GLU A 41 -13.393 8.668 3.745 1.00 0.00 C ATOM 235 C GLU A 41 -14.490 9.036 2.751 1.00 0.00 C ATOM 236 O GLU A 41 -14.276 9.029 1.536 1.00 0.00 O ATOM 237 CB GLU A 41 -12.418 9.833 3.919 1.00 0.00 C ATOM 238 CG GLU A 41 -12.981 10.995 4.718 1.00 0.00 C ATOM 239 CD GLU A 41 -11.973 12.109 4.894 1.00 0.00 C ATOM 240 OE1 GLU A 41 -11.877 12.979 4.004 1.00 0.00 O ATOM 241 OE2 GLU A 41 -11.261 12.116 5.919 1.00 0.00 O1- ATOM 0 H GLU A 41 -12.326 7.549 2.339 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.859 8.452 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.517 9.469 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.119 10.193 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.866 11.384 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.301 10.639 5.697 1.00 0.00 H new ATOM 248 N SER A 42 -15.663 9.340 3.277 1.00 0.00 N ATOM 249 CA SER A 42 -16.802 9.731 2.466 1.00 0.00 C ATOM 250 C SER A 42 -17.002 11.245 2.539 1.00 0.00 C ATOM 251 O SER A 42 -16.091 11.971 2.946 1.00 0.00 O ATOM 252 CB SER A 42 -18.054 9.001 2.959 1.00 0.00 C ATOM 253 OG SER A 42 -17.893 7.594 2.879 1.00 0.00 O ATOM 0 H SER A 42 -15.853 9.323 4.279 1.00 0.00 H new ATOM 0 HA SER A 42 -16.618 9.458 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 42 -18.263 9.288 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.914 9.306 2.363 1.00 0.00 H new ATOM 0 HG SER A 42 -17.704 7.339 1.952 1.00 0.00 H new ATOM 259 N SER A 43 -18.183 11.721 2.149 1.00 0.00 N ATOM 260 CA SER A 43 -18.494 13.145 2.218 1.00 0.00 C ATOM 261 C SER A 43 -18.427 13.652 3.660 1.00 0.00 C ATOM 262 O SER A 43 -18.087 14.809 3.909 1.00 0.00 O ATOM 263 CB SER A 43 -19.879 13.413 1.628 1.00 0.00 C ATOM 264 OG SER A 43 -19.949 12.983 0.278 1.00 0.00 O ATOM 0 H SER A 43 -18.938 11.142 1.783 1.00 0.00 H new ATOM 0 HA SER A 43 -17.749 13.684 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 43 -20.636 12.896 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 43 -20.103 14.478 1.686 1.00 0.00 H new ATOM 0 HG SER A 43 -20.845 13.163 -0.077 1.00 0.00 H new ATOM 270 N GLU A 44 -18.749 12.780 4.606 1.00 0.00 N ATOM 271 CA GLU A 44 -18.687 13.130 6.019 1.00 0.00 C ATOM 272 C GLU A 44 -18.089 11.986 6.830 1.00 0.00 C ATOM 273 O GLU A 44 -17.230 12.195 7.682 1.00 0.00 O ATOM 274 CB GLU A 44 -20.083 13.463 6.546 1.00 0.00 C ATOM 275 CG GLU A 44 -20.089 13.964 7.981 1.00 0.00 C ATOM 276 CD GLU A 44 -21.486 14.085 8.547 1.00 0.00 C ATOM 277 OE1 GLU A 44 -22.185 15.066 8.215 1.00 0.00 O ATOM 278 OE2 GLU A 44 -21.892 13.199 9.327 1.00 0.00 O1- ATOM 0 H GLU A 44 -19.056 11.825 4.421 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.048 14.007 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.533 14.220 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.709 12.574 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.507 13.284 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.597 14.936 8.025 1.00 0.00 H new ATOM 285 N HIS A 45 -18.547 10.773 6.547 1.00 0.00 N ATOM 286 CA HIS A 45 -18.123 9.596 7.296 1.00 0.00 C ATOM 287 C HIS A 45 -16.682 9.222 6.974 1.00 0.00 C ATOM 288 O HIS A 45 -16.162 9.560 5.912 1.00 0.00 O ATOM 289 CB HIS A 45 -19.036 8.408 6.988 1.00 0.00 C ATOM 290 CG HIS A 45 -20.451 8.592 7.441 1.00 0.00 C ATOM 291 ND1 HIS A 45 -21.534 8.485 6.593 1.00 0.00 N ATOM 292 CD2 HIS A 45 -20.960 8.863 8.664 1.00 0.00 C ATOM 293 CE1 HIS A 45 -22.645 8.685 7.277 1.00 0.00 C ATOM 294 NE2 HIS A 45 -22.323 8.915 8.535 1.00 0.00 N ATOM 0 H HIS A 45 -19.215 10.578 5.801 1.00 0.00 H new ATOM 0 HA HIS A 45 -18.190 9.842 8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -19.030 8.228 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -18.627 7.516 7.463 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -20.397 9.011 9.574 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -23.647 8.664 6.875 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -22.983 9.102 9.290 1.00 0.00 H new ATOM 303 N SER A 46 -16.043 8.535 7.905 1.00 0.00 N ATOM 304 CA SER A 46 -14.688 8.039 7.720 1.00 0.00 C ATOM 305 C SER A 46 -14.541 6.715 8.466 1.00 0.00 C ATOM 306 O SER A 46 -14.902 6.622 9.640 1.00 0.00 O ATOM 307 CB SER A 46 -13.676 9.067 8.236 1.00 0.00 C ATOM 308 OG SER A 46 -13.979 10.366 7.749 1.00 0.00 O ATOM 0 H SER A 46 -16.449 8.304 8.812 1.00 0.00 H new ATOM 0 HA SER A 46 -14.494 7.878 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.681 9.073 9.326 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.671 8.782 7.924 1.00 0.00 H new ATOM 0 HG SER A 46 -13.321 11.006 8.092 1.00 0.00 H new ATOM 314 N PHE A 47 -14.041 5.690 7.788 1.00 0.00 N ATOM 315 CA PHE A 47 -13.977 4.357 8.376 1.00 0.00 C ATOM 316 C PHE A 47 -12.779 3.572 7.855 1.00 0.00 C ATOM 317 O PHE A 47 -12.051 4.037 6.979 1.00 0.00 O ATOM 318 CB PHE A 47 -15.274 3.589 8.086 1.00 0.00 C ATOM 319 CG PHE A 47 -15.640 3.526 6.626 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.135 2.527 5.806 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.499 4.466 6.075 1.00 0.00 C ATOM 322 CE1 PHE A 47 -15.478 2.469 4.470 1.00 0.00 C ATOM 323 CE2 PHE A 47 -16.843 4.413 4.739 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.332 3.413 3.936 1.00 0.00 C ATOM 0 H PHE A 47 -13.676 5.754 6.838 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.858 4.474 9.453 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.175 2.573 8.469 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -16.091 4.058 8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.466 1.786 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.904 5.249 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.078 1.686 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.511 5.153 4.323 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.600 3.369 2.891 1.00 0.00 H new ATOM 334 N GLU A 48 -12.574 2.389 8.412 1.00 0.00 N ATOM 335 CA GLU A 48 -11.516 1.499 7.964 1.00 0.00 C ATOM 336 C GLU A 48 -12.111 0.170 7.529 1.00 0.00 C ATOM 337 O GLU A 48 -13.007 -0.361 8.188 1.00 0.00 O ATOM 338 CB GLU A 48 -10.496 1.260 9.074 1.00 0.00 C ATOM 339 CG GLU A 48 -9.924 2.530 9.676 1.00 0.00 C ATOM 340 CD GLU A 48 -8.909 2.239 10.758 1.00 0.00 C ATOM 341 OE1 GLU A 48 -9.322 2.002 11.915 1.00 0.00 O ATOM 342 OE2 GLU A 48 -7.697 2.235 10.460 1.00 0.00 O1- ATOM 0 H GLU A 48 -13.132 2.021 9.182 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.009 1.970 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.966 0.676 9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.678 0.659 8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.456 3.124 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.733 3.131 10.091 1.00 0.00 H new ATOM 349 N VAL A 49 -11.619 -0.357 6.423 1.00 0.00 N ATOM 350 CA VAL A 49 -12.108 -1.618 5.895 1.00 0.00 C ATOM 351 C VAL A 49 -10.942 -2.452 5.357 1.00 0.00 C ATOM 352 O VAL A 49 -10.038 -1.921 4.709 1.00 0.00 O ATOM 353 CB VAL A 49 -13.161 -1.373 4.786 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.569 -0.578 3.635 1.00 0.00 C ATOM 355 CG2 VAL A 49 -13.753 -2.684 4.290 1.00 0.00 C ATOM 0 H VAL A 49 -10.877 0.071 5.870 1.00 0.00 H new ATOM 0 HA VAL A 49 -12.588 -2.171 6.702 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.968 -0.784 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.331 -0.421 2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.219 0.387 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.732 -1.128 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.489 -2.480 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.959 -3.311 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.236 -3.202 5.119 1.00 0.00 H new ATOM 365 N PRO A 50 -10.907 -3.756 5.676 1.00 0.00 N ATOM 366 CA PRO A 50 -9.878 -4.662 5.164 1.00 0.00 C ATOM 367 C PRO A 50 -10.042 -4.946 3.673 1.00 0.00 C ATOM 368 O PRO A 50 -11.160 -5.010 3.157 1.00 0.00 O ATOM 369 CB PRO A 50 -10.081 -5.955 5.968 1.00 0.00 C ATOM 370 CG PRO A 50 -11.015 -5.599 7.076 1.00 0.00 C ATOM 371 CD PRO A 50 -11.839 -4.452 6.574 1.00 0.00 C ATOM 0 HA PRO A 50 -8.883 -4.231 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.499 -6.744 5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.133 -6.326 6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.647 -6.447 7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.465 -5.320 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.730 -4.793 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.176 -3.808 7.387 1.00 0.00 H new ATOM 379 N ILE A 51 -8.920 -5.139 2.998 1.00 0.00 N ATOM 380 CA ILE A 51 -8.917 -5.479 1.584 1.00 0.00 C ATOM 381 C ILE A 51 -8.591 -6.951 1.440 1.00 0.00 C ATOM 382 O ILE A 51 -7.689 -7.459 2.106 1.00 0.00 O ATOM 383 CB ILE A 51 -7.862 -4.676 0.790 1.00 0.00 C ATOM 384 CG1 ILE A 51 -7.929 -3.187 1.141 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.055 -4.878 -0.709 1.00 0.00 C ATOM 386 CD1 ILE A 51 -9.229 -2.527 0.742 1.00 0.00 C ATOM 0 H ILE A 51 -7.991 -5.065 3.412 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.902 -5.239 1.184 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.875 -5.047 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.787 -3.069 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.104 -2.670 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.304 -4.305 -1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.950 -5.936 -0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.050 -4.537 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.203 -1.474 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.365 -2.613 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.058 -3.018 1.252 1.00 0.00 H new ATOM 398 N TYR A 52 -9.322 -7.639 0.587 1.00 0.00 N ATOM 399 CA TYR A 52 -9.115 -9.060 0.421 1.00 0.00 C ATOM 400 C TYR A 52 -8.628 -9.374 -0.983 1.00 0.00 C ATOM 401 O TYR A 52 -9.363 -9.229 -1.961 1.00 0.00 O ATOM 402 CB TYR A 52 -10.408 -9.812 0.736 1.00 0.00 C ATOM 403 CG TYR A 52 -10.913 -9.541 2.134 1.00 0.00 C ATOM 404 CD1 TYR A 52 -10.266 -10.075 3.239 1.00 0.00 C ATOM 405 CD2 TYR A 52 -12.026 -8.741 2.351 1.00 0.00 C ATOM 406 CE1 TYR A 52 -10.711 -9.819 4.520 1.00 0.00 C ATOM 407 CE2 TYR A 52 -12.478 -8.481 3.628 1.00 0.00 C ATOM 408 CZ TYR A 52 -11.818 -9.022 4.709 1.00 0.00 C ATOM 409 OH TYR A 52 -12.267 -8.760 5.984 1.00 0.00 O ATOM 0 H TYR A 52 -10.058 -7.241 0.004 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.343 -9.388 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.174 -9.527 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.240 -10.882 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.399 -10.702 3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.547 -8.315 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.194 -10.241 5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -13.346 -7.856 3.780 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.056 -8.181 5.940 1.00 0.00 H new ATOM 419 N ALA A 53 -7.379 -9.802 -1.065 1.00 0.00 N ATOM 420 CA ALA A 53 -6.775 -10.204 -2.323 1.00 0.00 C ATOM 421 C ALA A 53 -5.672 -11.217 -2.069 1.00 0.00 C ATOM 422 O ALA A 53 -5.345 -11.504 -0.916 1.00 0.00 O ATOM 423 CB ALA A 53 -6.225 -8.999 -3.065 1.00 0.00 C ATOM 0 H ALA A 53 -6.756 -9.880 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.543 -10.665 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.777 -9.323 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.034 -8.298 -3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.468 -8.509 -2.453 1.00 0.00 H new ATOM 429 N GLU A 54 -5.097 -11.755 -3.129 1.00 0.00 N ATOM 430 CA GLU A 54 -4.031 -12.732 -2.986 1.00 0.00 C ATOM 431 C GLU A 54 -2.676 -12.045 -2.888 1.00 0.00 C ATOM 432 O GLU A 54 -1.907 -12.304 -1.963 1.00 0.00 O ATOM 433 CB GLU A 54 -4.038 -13.709 -4.159 1.00 0.00 C ATOM 434 CG GLU A 54 -5.360 -14.432 -4.331 1.00 0.00 C ATOM 435 CD GLU A 54 -5.304 -15.493 -5.403 1.00 0.00 C ATOM 436 OE1 GLU A 54 -5.451 -15.150 -6.596 1.00 0.00 O1- ATOM 437 OE2 GLU A 54 -5.114 -16.677 -5.055 1.00 0.00 O ATOM 0 H GLU A 54 -5.347 -11.534 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.205 -13.287 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.807 -13.167 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.246 -14.444 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.645 -14.891 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.136 -13.709 -4.581 1.00 0.00 H new ATOM 444 N THR A 55 -2.399 -11.158 -3.830 1.00 0.00 N ATOM 445 CA THR A 55 -1.097 -10.512 -3.905 1.00 0.00 C ATOM 446 C THR A 55 -1.135 -9.099 -3.314 1.00 0.00 C ATOM 447 O THR A 55 -2.198 -8.477 -3.259 1.00 0.00 O ATOM 448 CB THR A 55 -0.619 -10.441 -5.369 1.00 0.00 C ATOM 449 OG1 THR A 55 -0.997 -11.640 -6.062 1.00 0.00 O ATOM 450 CG2 THR A 55 0.892 -10.268 -5.444 1.00 0.00 C ATOM 0 H THR A 55 -3.057 -10.868 -4.553 1.00 0.00 H new ATOM 0 HA THR A 55 -0.400 -11.112 -3.319 1.00 0.00 H new ATOM 0 HB THR A 55 -1.090 -9.578 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.960 -11.623 -6.244 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.201 -10.221 -6.488 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.178 -9.345 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.380 -11.114 -4.959 1.00 0.00 H new ATOM 458 N LEU A 56 0.017 -8.603 -2.867 1.00 0.00 N ATOM 459 CA LEU A 56 0.124 -7.247 -2.326 1.00 0.00 C ATOM 460 C LEU A 56 -0.367 -6.209 -3.333 1.00 0.00 C ATOM 461 O LEU A 56 -1.359 -5.518 -3.089 1.00 0.00 O ATOM 462 CB LEU A 56 1.576 -6.950 -1.932 1.00 0.00 C ATOM 463 CG LEU A 56 1.898 -7.069 -0.440 1.00 0.00 C ATOM 464 CD1 LEU A 56 1.178 -5.985 0.342 1.00 0.00 C ATOM 465 CD2 LEU A 56 1.524 -8.445 0.086 1.00 0.00 C ATOM 0 H LEU A 56 0.895 -9.122 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.509 -7.186 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.228 -7.630 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.822 -5.939 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 56 2.972 -6.938 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.416 -6.082 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.498 -5.006 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.102 -6.088 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.762 -8.506 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.456 -8.611 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.085 -9.206 -0.456 1.00 0.00 H new ATOM 477 N ASP A 57 0.336 -6.110 -4.459 1.00 0.00 N ATOM 478 CA ASP A 57 -0.035 -5.202 -5.548 1.00 0.00 C ATOM 479 C ASP A 57 -1.493 -5.387 -5.954 1.00 0.00 C ATOM 480 O ASP A 57 -2.194 -4.425 -6.255 1.00 0.00 O ATOM 481 CB ASP A 57 0.866 -5.448 -6.756 1.00 0.00 C ATOM 482 CG ASP A 57 0.563 -4.519 -7.911 1.00 0.00 C ATOM 483 OD1 ASP A 57 0.926 -3.326 -7.836 1.00 0.00 O ATOM 484 OD2 ASP A 57 -0.013 -4.986 -8.916 1.00 0.00 O1- ATOM 0 H ASP A 57 1.178 -6.655 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 57 0.093 -4.180 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.907 -5.323 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.750 -6.480 -7.086 1.00 0.00 H new ATOM 489 N GLU A 58 -1.933 -6.636 -5.947 1.00 0.00 N ATOM 490 CA GLU A 58 -3.308 -6.988 -6.272 1.00 0.00 C ATOM 491 C GLU A 58 -4.284 -6.257 -5.349 1.00 0.00 C ATOM 492 O GLU A 58 -5.259 -5.659 -5.807 1.00 0.00 O ATOM 493 CB GLU A 58 -3.465 -8.498 -6.133 1.00 0.00 C ATOM 494 CG GLU A 58 -4.828 -9.043 -6.508 1.00 0.00 C ATOM 495 CD GLU A 58 -4.947 -10.506 -6.146 1.00 0.00 C ATOM 496 OE1 GLU A 58 -3.919 -11.215 -6.197 1.00 0.00 O1- ATOM 497 OE2 GLU A 58 -6.053 -10.947 -5.769 1.00 0.00 O ATOM 0 H GLU A 58 -1.345 -7.437 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.534 -6.686 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.714 -8.984 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.252 -8.776 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.604 -8.474 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.993 -8.915 -7.578 1.00 0.00 H new ATOM 504 N ALA A 59 -4.004 -6.300 -4.050 1.00 0.00 N ATOM 505 CA ALA A 59 -4.817 -5.599 -3.063 1.00 0.00 C ATOM 506 C ALA A 59 -4.666 -4.094 -3.219 1.00 0.00 C ATOM 507 O ALA A 59 -5.629 -3.343 -3.072 1.00 0.00 O ATOM 508 CB ALA A 59 -4.421 -6.019 -1.658 1.00 0.00 C ATOM 0 H ALA A 59 -3.217 -6.815 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.861 -5.864 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.036 -5.487 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.571 -7.093 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.371 -5.779 -1.489 1.00 0.00 H new ATOM 514 N LEU A 60 -3.443 -3.671 -3.516 1.00 0.00 N ATOM 515 CA LEU A 60 -3.133 -2.267 -3.751 1.00 0.00 C ATOM 516 C LEU A 60 -3.993 -1.702 -4.878 1.00 0.00 C ATOM 517 O LEU A 60 -4.506 -0.584 -4.779 1.00 0.00 O ATOM 518 CB LEU A 60 -1.643 -2.124 -4.077 1.00 0.00 C ATOM 519 CG LEU A 60 -1.205 -0.792 -4.691 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.585 0.379 -3.800 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.294 -0.809 -4.934 1.00 0.00 C ATOM 0 H LEU A 60 -2.638 -4.292 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.357 -1.696 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.076 -2.280 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.365 -2.924 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.723 -0.665 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.260 1.310 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.667 0.398 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.101 0.270 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.603 0.141 -5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.814 -0.959 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.543 -1.621 -5.618 1.00 0.00 H new ATOM 533 N GLU A 61 -4.146 -2.475 -5.945 1.00 0.00 N ATOM 534 CA GLU A 61 -5.017 -2.088 -7.043 1.00 0.00 C ATOM 535 C GLU A 61 -6.444 -1.917 -6.540 1.00 0.00 C ATOM 536 O GLU A 61 -7.047 -0.863 -6.711 1.00 0.00 O ATOM 537 CB GLU A 61 -5.001 -3.138 -8.155 1.00 0.00 C ATOM 538 CG GLU A 61 -3.636 -3.375 -8.777 1.00 0.00 C ATOM 539 CD GLU A 61 -3.687 -4.384 -9.906 1.00 0.00 C ATOM 540 OE1 GLU A 61 -3.790 -5.599 -9.625 1.00 0.00 O1- ATOM 541 OE2 GLU A 61 -3.635 -3.966 -11.083 1.00 0.00 O ATOM 0 H GLU A 61 -3.678 -3.372 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.649 -1.144 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.372 -4.081 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.695 -2.831 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.242 -2.431 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.945 -3.726 -8.010 1.00 0.00 H new ATOM 548 N LEU A 62 -6.952 -2.953 -5.883 1.00 0.00 N ATOM 549 CA LEU A 62 -8.351 -2.997 -5.466 1.00 0.00 C ATOM 550 C LEU A 62 -8.686 -1.913 -4.451 1.00 0.00 C ATOM 551 O LEU A 62 -9.730 -1.281 -4.553 1.00 0.00 O ATOM 552 CB LEU A 62 -8.688 -4.365 -4.878 1.00 0.00 C ATOM 553 CG LEU A 62 -8.391 -5.552 -5.791 1.00 0.00 C ATOM 554 CD1 LEU A 62 -8.706 -6.858 -5.083 1.00 0.00 C ATOM 555 CD2 LEU A 62 -9.180 -5.435 -7.086 1.00 0.00 C ATOM 0 H LEU A 62 -6.413 -3.780 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.952 -2.818 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.131 -4.492 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.747 -4.381 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.329 -5.546 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.489 -7.694 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.095 -6.941 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.761 -6.878 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.957 -6.289 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.247 -5.418 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.902 -4.514 -7.599 1.00 0.00 H new ATOM 567 N ALA A 63 -7.808 -1.700 -3.478 1.00 0.00 N ATOM 568 CA ALA A 63 -8.058 -0.718 -2.425 1.00 0.00 C ATOM 569 C ALA A 63 -8.492 0.622 -3.012 1.00 0.00 C ATOM 570 O ALA A 63 -9.452 1.231 -2.553 1.00 0.00 O ATOM 571 CB ALA A 63 -6.826 -0.542 -1.553 1.00 0.00 C ATOM 0 H ALA A 63 -6.918 -2.192 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.872 -1.094 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.033 0.193 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.567 -1.495 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.993 -0.197 -2.166 1.00 0.00 H new ATOM 577 N GLU A 64 -7.781 1.074 -4.028 1.00 0.00 N ATOM 578 CA GLU A 64 -8.161 2.286 -4.731 1.00 0.00 C ATOM 579 C GLU A 64 -9.244 1.993 -5.770 1.00 0.00 C ATOM 580 O GLU A 64 -10.371 2.477 -5.668 1.00 0.00 O ATOM 581 CB GLU A 64 -6.939 2.909 -5.406 1.00 0.00 C ATOM 582 CG GLU A 64 -7.232 4.222 -6.109 1.00 0.00 C ATOM 583 CD GLU A 64 -6.026 4.766 -6.842 1.00 0.00 C ATOM 584 OE1 GLU A 64 -5.825 4.394 -8.015 1.00 0.00 O ATOM 585 OE2 GLU A 64 -5.257 5.550 -6.249 1.00 0.00 O1- ATOM 0 H GLU A 64 -6.939 0.622 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.564 2.992 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.165 3.074 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.535 2.202 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.049 4.078 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.570 4.955 -5.377 1.00 0.00 H new ATOM 592 N TRP A 65 -8.897 1.143 -6.731 1.00 0.00 N ATOM 593 CA TRP A 65 -9.683 0.952 -7.949 1.00 0.00 C ATOM 594 C TRP A 65 -11.084 0.398 -7.671 1.00 0.00 C ATOM 595 O TRP A 65 -12.006 0.618 -8.452 1.00 0.00 O ATOM 596 CB TRP A 65 -8.927 0.011 -8.893 1.00 0.00 C ATOM 597 CG TRP A 65 -9.054 0.375 -10.340 1.00 0.00 C ATOM 598 CD1 TRP A 65 -8.376 1.362 -10.995 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.895 -0.251 -11.315 1.00 0.00 C ATOM 600 NE1 TRP A 65 -8.755 1.397 -12.314 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.683 0.415 -12.537 1.00 0.00 C ATOM 602 CE3 TRP A 65 -10.807 -1.307 -11.273 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -10.352 0.057 -13.704 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -11.470 -1.661 -12.432 1.00 0.00 C ATOM 605 CH2 TRP A 65 -11.239 -0.980 -13.633 1.00 0.00 C ATOM 0 H TRP A 65 -8.059 0.563 -6.688 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.818 1.930 -8.410 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.872 0.009 -8.620 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.295 -1.005 -8.750 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.648 2.019 -10.542 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.402 2.049 -13.015 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -10.991 -1.838 -10.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.176 0.580 -14.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -12.178 -2.476 -12.411 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.773 -1.281 -14.522 1.00 0.00 H new ATOM 616 N GLN A 66 -11.242 -0.333 -6.577 1.00 0.00 N ATOM 617 CA GLN A 66 -12.533 -0.917 -6.226 1.00 0.00 C ATOM 618 C GLN A 66 -13.416 0.081 -5.470 1.00 0.00 C ATOM 619 O GLN A 66 -14.640 0.066 -5.603 1.00 0.00 O ATOM 620 CB GLN A 66 -12.335 -2.187 -5.397 1.00 0.00 C ATOM 621 CG GLN A 66 -13.628 -2.819 -4.905 1.00 0.00 C ATOM 622 CD GLN A 66 -14.590 -3.159 -6.029 1.00 0.00 C ATOM 623 OE1 GLN A 66 -14.178 -3.459 -7.151 1.00 0.00 O ATOM 624 NE2 GLN A 66 -15.880 -3.118 -5.736 1.00 0.00 N ATOM 0 H GLN A 66 -10.493 -0.537 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.044 -1.175 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.792 -2.918 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.709 -1.952 -4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.393 -3.727 -4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.117 -2.137 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -16.181 -2.865 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.573 -3.339 -6.451 1.00 0.00 H new ATOM 633 N TYR A 67 -12.799 0.955 -4.687 1.00 0.00 N ATOM 634 CA TYR A 67 -13.555 1.852 -3.816 1.00 0.00 C ATOM 635 C TYR A 67 -13.862 3.190 -4.480 1.00 0.00 C ATOM 636 O TYR A 67 -14.919 3.778 -4.239 1.00 0.00 O ATOM 637 CB TYR A 67 -12.809 2.080 -2.502 1.00 0.00 C ATOM 638 CG TYR A 67 -12.848 0.887 -1.573 1.00 0.00 C ATOM 639 CD1 TYR A 67 -11.878 -0.102 -1.636 1.00 0.00 C ATOM 640 CD2 TYR A 67 -13.861 0.751 -0.633 1.00 0.00 C ATOM 641 CE1 TYR A 67 -11.912 -1.189 -0.791 1.00 0.00 C ATOM 642 CE2 TYR A 67 -13.901 -0.337 0.218 1.00 0.00 C ATOM 643 CZ TYR A 67 -12.923 -1.304 0.134 1.00 0.00 C ATOM 644 OH TYR A 67 -12.957 -2.389 0.976 1.00 0.00 O ATOM 0 H TYR A 67 -11.786 1.064 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.508 1.363 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.770 2.327 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.241 2.942 -1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.082 -0.018 -2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.629 1.507 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -11.147 -1.949 -0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.694 -0.429 0.945 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.196 -2.976 0.784 1.00 0.00 H new ATOM 654 N VAL A 68 -12.956 3.663 -5.327 1.00 0.00 N ATOM 655 CA VAL A 68 -13.113 4.979 -5.938 1.00 0.00 C ATOM 656 C VAL A 68 -14.337 5.102 -6.874 1.00 0.00 C ATOM 657 O VAL A 68 -14.934 6.176 -6.930 1.00 0.00 O ATOM 658 CB VAL A 68 -11.831 5.458 -6.667 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.685 5.602 -5.675 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.437 4.525 -7.803 1.00 0.00 C ATOM 0 H VAL A 68 -12.112 3.162 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.297 5.640 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.048 6.431 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.790 5.939 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.954 6.331 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.488 4.639 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.534 4.900 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.249 3.527 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.245 4.479 -8.533 1.00 0.00 H new ATOM 670 N PRO A 69 -14.770 4.045 -7.616 1.00 0.00 N ATOM 671 CA PRO A 69 -15.950 4.152 -8.480 1.00 0.00 C ATOM 672 C PRO A 69 -17.246 4.138 -7.679 1.00 0.00 C ATOM 673 O PRO A 69 -18.320 4.420 -8.209 1.00 0.00 O ATOM 674 CB PRO A 69 -15.874 2.911 -9.382 1.00 0.00 C ATOM 675 CG PRO A 69 -14.542 2.299 -9.111 1.00 0.00 C ATOM 676 CD PRO A 69 -14.182 2.701 -7.715 1.00 0.00 C ATOM 0 HA PRO A 69 -15.954 5.090 -9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.680 2.212 -9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -15.974 3.183 -10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.584 1.214 -9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.797 2.653 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.600 2.019 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.103 2.717 -7.561 1.00 0.00 H new ATOM 684 N ALA A 70 -17.138 3.811 -6.398 1.00 0.00 N ATOM 685 CA ALA A 70 -18.299 3.736 -5.525 1.00 0.00 C ATOM 686 C ALA A 70 -18.518 5.055 -4.794 1.00 0.00 C ATOM 687 O ALA A 70 -19.423 5.177 -3.969 1.00 0.00 O ATOM 688 CB ALA A 70 -18.136 2.596 -4.531 1.00 0.00 C ATOM 0 H ALA A 70 -16.253 3.593 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 70 -19.178 3.542 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -19.011 2.550 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.034 1.654 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.245 2.765 -3.926 1.00 0.00 H new ATOM 694 N GLY A 71 -17.682 6.039 -5.095 1.00 0.00 N ATOM 695 CA GLY A 71 -17.822 7.342 -4.476 1.00 0.00 C ATOM 696 C GLY A 71 -17.054 7.451 -3.176 1.00 0.00 C ATOM 697 O GLY A 71 -17.112 8.476 -2.496 1.00 0.00 O ATOM 0 H GLY A 71 -16.910 5.959 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.471 8.109 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.877 7.540 -4.289 1.00 0.00 H new ATOM 701 N PHE A 72 -16.333 6.398 -2.827 1.00 0.00 N ATOM 702 CA PHE A 72 -15.533 6.392 -1.615 1.00 0.00 C ATOM 703 C PHE A 72 -14.095 6.774 -1.934 1.00 0.00 C ATOM 704 O PHE A 72 -13.476 6.202 -2.833 1.00 0.00 O ATOM 705 CB PHE A 72 -15.573 5.015 -0.948 1.00 0.00 C ATOM 706 CG PHE A 72 -16.924 4.637 -0.408 1.00 0.00 C ATOM 707 CD1 PHE A 72 -17.302 5.015 0.870 1.00 0.00 C ATOM 708 CD2 PHE A 72 -17.811 3.900 -1.173 1.00 0.00 C ATOM 709 CE1 PHE A 72 -18.542 4.667 1.373 1.00 0.00 C ATOM 710 CE2 PHE A 72 -19.052 3.549 -0.677 1.00 0.00 C ATOM 711 CZ PHE A 72 -19.418 3.933 0.599 1.00 0.00 C ATOM 0 H PHE A 72 -16.286 5.535 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.951 7.124 -0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.259 4.263 -1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.849 4.996 -0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.620 5.588 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -17.530 3.595 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.825 4.969 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -19.735 2.975 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 72 -20.387 3.659 0.990 1.00 0.00 H new ATOM 721 N GLU A 73 -13.569 7.751 -1.216 1.00 0.00 N ATOM 722 CA GLU A 73 -12.204 8.189 -1.433 1.00 0.00 C ATOM 723 C GLU A 73 -11.299 7.621 -0.352 1.00 0.00 C ATOM 724 O GLU A 73 -11.477 7.902 0.834 1.00 0.00 O ATOM 725 CB GLU A 73 -12.120 9.716 -1.445 1.00 0.00 C ATOM 726 CG GLU A 73 -10.818 10.243 -2.022 1.00 0.00 C ATOM 727 CD GLU A 73 -10.722 11.751 -1.966 1.00 0.00 C ATOM 728 OE1 GLU A 73 -11.291 12.428 -2.853 1.00 0.00 O1- ATOM 729 OE2 GLU A 73 -10.065 12.267 -1.036 1.00 0.00 O ATOM 0 H GLU A 73 -14.066 8.254 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.873 7.822 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.953 10.114 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.234 10.087 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.981 9.809 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.726 9.915 -3.058 1.00 0.00 H new ATOM 736 N VAL A 74 -10.350 6.798 -0.765 1.00 0.00 N ATOM 737 CA VAL A 74 -9.390 6.208 0.155 1.00 0.00 C ATOM 738 C VAL A 74 -8.553 7.297 0.818 1.00 0.00 C ATOM 739 O VAL A 74 -8.233 8.306 0.195 1.00 0.00 O ATOM 740 CB VAL A 74 -8.463 5.208 -0.572 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.274 4.070 -1.165 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.655 5.903 -1.659 1.00 0.00 C ATOM 0 H VAL A 74 -10.223 6.521 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.949 5.668 0.919 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.766 4.799 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.607 3.374 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.804 3.548 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.994 4.470 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.011 5.176 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.333 6.345 -2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.042 6.686 -1.212 1.00 0.00 H new ATOM 752 N THR A 75 -8.229 7.106 2.086 1.00 0.00 N ATOM 753 CA THR A 75 -7.425 8.070 2.817 1.00 0.00 C ATOM 754 C THR A 75 -5.998 7.561 3.003 1.00 0.00 C ATOM 755 O THR A 75 -5.038 8.275 2.725 1.00 0.00 O ATOM 756 CB THR A 75 -8.044 8.392 4.192 1.00 0.00 C ATOM 757 OG1 THR A 75 -9.409 8.795 4.027 1.00 0.00 O ATOM 758 CG2 THR A 75 -7.266 9.496 4.893 1.00 0.00 C ATOM 0 H THR A 75 -8.511 6.291 2.631 1.00 0.00 H new ATOM 0 HA THR A 75 -7.402 8.985 2.225 1.00 0.00 H new ATOM 0 HB THR A 75 -7.999 7.493 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.462 9.774 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.722 9.705 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.234 9.177 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.283 10.398 4.281 1.00 0.00 H new ATOM 766 N ARG A 76 -5.861 6.323 3.453 1.00 0.00 N ATOM 767 CA ARG A 76 -4.554 5.741 3.688 1.00 0.00 C ATOM 768 C ARG A 76 -4.696 4.233 3.854 1.00 0.00 C ATOM 769 O ARG A 76 -5.769 3.754 4.213 1.00 0.00 O ATOM 770 CB ARG A 76 -3.937 6.357 4.943 1.00 0.00 C ATOM 771 CG ARG A 76 -2.429 6.269 4.965 1.00 0.00 C ATOM 772 CD ARG A 76 -1.837 6.862 6.231 1.00 0.00 C ATOM 773 NE ARG A 76 -2.270 6.146 7.430 1.00 0.00 N ATOM 774 CZ ARG A 76 -1.442 5.652 8.351 1.00 0.00 C ATOM 775 NH1 ARG A 76 -0.126 5.745 8.195 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -1.936 5.052 9.426 1.00 0.00 N ATOM 0 H ARG A 76 -6.643 5.703 3.662 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.901 5.946 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.235 7.403 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.338 5.853 5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.127 5.225 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.024 6.791 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.749 6.837 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.128 7.909 6.310 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.272 6.016 7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.259 6.197 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.500 5.364 8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.946 4.970 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.306 4.673 10.133 1.00 0.00 H new ATOM 790 N VAL A 77 -3.641 3.479 3.574 1.00 0.00 N ATOM 791 CA VAL A 77 -3.690 2.039 3.772 1.00 0.00 C ATOM 792 C VAL A 77 -2.477 1.564 4.557 1.00 0.00 C ATOM 793 O VAL A 77 -1.445 2.234 4.591 1.00 0.00 O ATOM 794 CB VAL A 77 -3.761 1.253 2.440 1.00 0.00 C ATOM 795 CG1 VAL A 77 -4.839 1.812 1.526 1.00 0.00 C ATOM 796 CG2 VAL A 77 -2.414 1.234 1.740 1.00 0.00 C ATOM 0 H VAL A 77 -2.755 3.834 3.215 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.604 1.841 4.331 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.028 0.224 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.864 1.239 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.808 1.743 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.620 2.856 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.496 0.675 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.102 2.256 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.675 0.758 2.385 1.00 0.00 H new ATOM 806 N ARG A 78 -2.620 0.413 5.191 1.00 0.00 N ATOM 807 CA ARG A 78 -1.520 -0.239 5.879 1.00 0.00 C ATOM 808 C ARG A 78 -1.653 -1.749 5.763 1.00 0.00 C ATOM 809 O ARG A 78 -2.490 -2.361 6.428 1.00 0.00 O ATOM 810 CB ARG A 78 -1.451 0.154 7.358 1.00 0.00 C ATOM 811 CG ARG A 78 -0.789 1.498 7.612 1.00 0.00 C ATOM 812 CD ARG A 78 -0.182 1.549 9.004 1.00 0.00 C ATOM 813 NE ARG A 78 0.807 0.485 9.195 1.00 0.00 N ATOM 814 CZ ARG A 78 1.200 0.028 10.383 1.00 0.00 C ATOM 815 NH1 ARG A 78 0.742 0.583 11.501 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 2.060 -0.982 10.449 1.00 0.00 N ATOM 0 H ARG A 78 -3.502 -0.096 5.243 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.598 0.092 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.462 0.176 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.905 -0.617 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.014 1.673 6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.523 2.296 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.290 2.519 9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.971 1.453 9.750 1.00 0.00 H new ATOM 0 HE ARG A 78 1.222 0.066 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.086 1.363 11.452 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.046 0.229 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.417 -1.405 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.363 -1.335 11.357 1.00 0.00 H new ATOM 830 N PRO A 79 -0.861 -2.364 4.882 1.00 0.00 N ATOM 831 CA PRO A 79 -0.815 -3.820 4.742 1.00 0.00 C ATOM 832 C PRO A 79 -0.268 -4.483 6.000 1.00 0.00 C ATOM 833 O PRO A 79 0.738 -4.039 6.554 1.00 0.00 O ATOM 834 CB PRO A 79 0.141 -4.041 3.562 1.00 0.00 C ATOM 835 CG PRO A 79 0.195 -2.728 2.862 1.00 0.00 C ATOM 836 CD PRO A 79 0.043 -1.696 3.935 1.00 0.00 C ATOM 0 HA PRO A 79 -1.803 -4.252 4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 79 1.129 -4.346 3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.223 -4.827 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 79 1.139 -2.605 2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.601 -2.645 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.998 -1.442 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.382 -0.769 3.551 1.00 0.00 H new ATOM 844 N CYS A 80 -0.940 -5.523 6.461 1.00 0.00 N ATOM 845 CA CYS A 80 -0.476 -6.267 7.615 1.00 0.00 C ATOM 846 C CYS A 80 -0.231 -7.714 7.213 1.00 0.00 C ATOM 847 O CYS A 80 -1.120 -8.564 7.301 1.00 0.00 O ATOM 848 CB CYS A 80 -1.500 -6.180 8.751 1.00 0.00 C ATOM 849 SG CYS A 80 -0.969 -6.948 10.300 1.00 0.00 S ATOM 0 H CYS A 80 -1.808 -5.870 6.053 1.00 0.00 H new ATOM 0 HA CYS A 80 0.459 -5.837 7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.726 -5.131 8.939 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.427 -6.652 8.425 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.905 -6.817 11.193 1.00 0.00 H new ATOM 855 N VAL A 81 0.980 -7.980 6.752 1.00 0.00 N ATOM 856 CA VAL A 81 1.345 -9.305 6.289 1.00 0.00 C ATOM 857 C VAL A 81 1.776 -10.177 7.461 1.00 0.00 C ATOM 858 O VAL A 81 1.070 -11.117 7.829 1.00 0.00 O ATOM 859 CB VAL A 81 2.474 -9.241 5.237 1.00 0.00 C ATOM 860 CG1 VAL A 81 2.835 -10.631 4.741 1.00 0.00 C ATOM 861 CG2 VAL A 81 2.070 -8.348 4.073 1.00 0.00 C ATOM 0 H VAL A 81 1.729 -7.291 6.689 1.00 0.00 H new ATOM 0 HA VAL A 81 0.466 -9.746 5.819 1.00 0.00 H new ATOM 0 HB VAL A 81 3.355 -8.812 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.632 -10.558 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.173 -11.240 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.959 -11.094 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.878 -8.315 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.171 -8.747 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.871 -7.341 4.439 1.00 0.00 H new ATOM 871 N ALA A 82 2.922 -9.836 8.055 1.00 0.00 N ATOM 872 CA ALA A 82 3.483 -10.583 9.181 1.00 0.00 C ATOM 873 C ALA A 82 3.638 -12.064 8.837 1.00 0.00 C ATOM 874 O ALA A 82 2.741 -12.863 9.107 1.00 0.00 O ATOM 875 CB ALA A 82 2.622 -10.401 10.426 1.00 0.00 C ATOM 0 H ALA A 82 3.486 -9.035 7.769 1.00 0.00 H new ATOM 0 HA ALA A 82 4.476 -10.185 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.055 -10.964 11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.581 -9.344 10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.614 -10.765 10.228 1.00 0.00 H new ATOM 881 N PRO A 83 4.788 -12.435 8.240 1.00 0.00 N ATOM 882 CA PRO A 83 5.061 -13.797 7.753 1.00 0.00 C ATOM 883 C PRO A 83 4.555 -14.907 8.678 1.00 0.00 C ATOM 884 O PRO A 83 4.828 -14.910 9.883 1.00 0.00 O ATOM 885 CB PRO A 83 6.584 -13.819 7.680 1.00 0.00 C ATOM 886 CG PRO A 83 6.948 -12.424 7.312 1.00 0.00 C ATOM 887 CD PRO A 83 5.936 -11.536 7.989 1.00 0.00 C ATOM 0 HA PRO A 83 4.549 -13.994 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.025 -14.108 8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.938 -14.533 6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.959 -12.185 7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.925 -12.287 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.327 -11.119 8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.654 -10.695 7.355 1.00 0.00 H new ATOM 895 N LYS A 84 3.804 -15.838 8.103 1.00 0.00 N ATOM 896 CA LYS A 84 3.293 -16.979 8.844 1.00 0.00 C ATOM 897 C LYS A 84 4.183 -18.188 8.596 1.00 0.00 C ATOM 898 O LYS A 84 3.871 -18.983 7.684 1.00 0.00 O ATOM 899 CB LYS A 84 1.849 -17.315 8.441 1.00 0.00 C ATOM 900 CG LYS A 84 0.829 -16.225 8.747 1.00 0.00 C ATOM 901 CD LYS A 84 0.855 -15.110 7.713 1.00 0.00 C ATOM 902 CE LYS A 84 -0.194 -14.050 8.008 1.00 0.00 C ATOM 903 NZ LYS A 84 0.053 -13.369 9.306 1.00 0.00 N1+ ATOM 904 OXT LYS A 84 5.212 -18.323 9.290 1.00 0.00 O ATOM 0 H LYS A 84 3.535 -15.822 7.119 1.00 0.00 H new ATOM 0 HA LYS A 84 3.297 -16.721 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.825 -17.525 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.547 -18.229 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.169 -16.663 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.030 -15.808 9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.843 -14.650 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.682 -15.528 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.199 -13.312 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.182 -14.511 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.378 -12.423 9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.368 -13.927 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.077 -13.280 9.462 1.00 0.00 H new TER 918 LYS A 84 ATOM 919 N PRO B 24 7.495 -0.515 9.962 1.00 0.00 N ATOM 920 CA PRO B 24 7.808 0.462 8.907 1.00 0.00 C ATOM 921 C PRO B 24 7.533 1.887 9.369 1.00 0.00 C ATOM 922 O PRO B 24 6.727 2.116 10.269 1.00 0.00 O ATOM 923 CB PRO B 24 6.966 0.138 7.690 1.00 0.00 C ATOM 924 CG PRO B 24 6.135 -1.015 8.134 1.00 0.00 C ATOM 925 CD PRO B 24 6.144 -0.963 9.640 1.00 0.00 C ATOM 0 HA PRO B 24 8.869 0.397 8.665 1.00 0.00 H new ATOM 0 HB2 PRO B 24 6.349 0.986 7.393 1.00 0.00 H new ATOM 0 HB3 PRO B 24 7.586 -0.122 6.832 1.00 0.00 H new ATOM 0 HG2 PRO B 24 5.120 -0.939 7.745 1.00 0.00 H new ATOM 0 HG3 PRO B 24 6.546 -1.957 7.772 1.00 0.00 H new ATOM 0 HD2 PRO B 24 5.392 -0.273 10.021 1.00 0.00 H new ATOM 0 HD3 PRO B 24 5.931 -1.939 10.076 1.00 0.00 H new ATOM 933 N ALA B 25 8.217 2.839 8.754 1.00 0.00 N ATOM 934 CA ALA B 25 8.020 4.247 9.051 1.00 0.00 C ATOM 935 C ALA B 25 8.234 5.070 7.790 1.00 0.00 C ATOM 936 O ALA B 25 7.292 5.330 7.042 1.00 0.00 O ATOM 937 CB ALA B 25 8.952 4.703 10.167 1.00 0.00 C ATOM 0 H ALA B 25 8.921 2.658 8.038 1.00 0.00 H new ATOM 0 HA ALA B 25 6.997 4.396 9.398 1.00 0.00 H new ATOM 0 HB1 ALA B 25 8.785 5.761 10.371 1.00 0.00 H new ATOM 0 HB2 ALA B 25 8.751 4.124 11.068 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.987 4.551 9.861 1.00 0.00 H new ATOM 943 N ILE B 26 9.477 5.455 7.544 1.00 0.00 N ATOM 944 CA ILE B 26 9.845 6.117 6.303 1.00 0.00 C ATOM 945 C ILE B 26 10.929 5.280 5.637 1.00 0.00 C ATOM 946 O ILE B 26 12.092 5.687 5.542 1.00 0.00 O ATOM 947 CB ILE B 26 10.360 7.563 6.524 1.00 0.00 C ATOM 948 CG1 ILE B 26 9.453 8.337 7.491 1.00 0.00 C ATOM 949 CG2 ILE B 26 10.441 8.302 5.195 1.00 0.00 C ATOM 950 CD1 ILE B 26 8.002 8.387 7.065 1.00 0.00 C ATOM 0 H ILE B 26 10.252 5.319 8.193 1.00 0.00 H new ATOM 0 HA ILE B 26 8.957 6.198 5.676 1.00 0.00 H new ATOM 0 HB ILE B 26 11.355 7.498 6.965 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.516 7.879 8.478 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.828 9.356 7.588 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.804 9.316 5.364 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.126 7.778 4.528 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.451 8.342 4.740 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.426 8.951 7.799 1.00 0.00 H new ATOM 0 HD12 ILE B 26 7.925 8.873 6.092 1.00 0.00 H new ATOM 0 HD13 ILE B 26 7.608 7.373 6.996 1.00 0.00 H new ATOM 962 N LEU B 27 10.545 4.083 5.216 1.00 0.00 N ATOM 963 CA LEU B 27 11.500 3.101 4.738 1.00 0.00 C ATOM 964 C LEU B 27 10.879 2.186 3.693 1.00 0.00 C ATOM 965 O LEU B 27 9.688 2.264 3.403 1.00 0.00 O ATOM 966 CB LEU B 27 12.007 2.260 5.920 1.00 0.00 C ATOM 967 CG LEU B 27 10.920 1.561 6.751 1.00 0.00 C ATOM 968 CD1 LEU B 27 10.509 0.231 6.137 1.00 0.00 C ATOM 969 CD2 LEU B 27 11.387 1.365 8.179 1.00 0.00 C ATOM 0 H LEU B 27 9.574 3.771 5.197 1.00 0.00 H new ATOM 0 HA LEU B 27 12.330 3.633 4.274 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.690 1.502 5.537 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.585 2.906 6.581 1.00 0.00 H new ATOM 0 HG LEU B 27 10.042 2.207 6.753 1.00 0.00 H new ATOM 0 HD11 LEU B 27 9.739 -0.232 6.754 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.118 0.399 5.134 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.375 -0.428 6.083 1.00 0.00 H new ATOM 0 HD21 LEU B 27 10.604 0.869 8.753 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.287 0.751 8.186 1.00 0.00 H new ATOM 0 HD23 LEU B 27 11.606 2.335 8.627 1.00 0.00 H new ATOM 981 N ALA B 28 11.713 1.337 3.124 1.00 0.00 N ATOM 982 CA ALA B 28 11.259 0.262 2.266 1.00 0.00 C ATOM 983 C ALA B 28 11.248 -1.037 3.055 1.00 0.00 C ATOM 984 O ALA B 28 12.272 -1.427 3.610 1.00 0.00 O ATOM 985 CB ALA B 28 12.177 0.137 1.067 1.00 0.00 C ATOM 0 H ALA B 28 12.725 1.374 3.244 1.00 0.00 H new ATOM 0 HA ALA B 28 10.251 0.478 1.912 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.830 -0.673 0.426 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.172 1.071 0.506 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.191 -0.077 1.406 1.00 0.00 H new ATOM 991 N GLU B 29 10.095 -1.696 3.118 1.00 0.00 N ATOM 992 CA GLU B 29 9.968 -2.945 3.871 1.00 0.00 C ATOM 993 C GLU B 29 10.898 -4.008 3.288 1.00 0.00 C ATOM 994 O GLU B 29 11.302 -4.943 3.971 1.00 0.00 O ATOM 995 CB GLU B 29 8.522 -3.444 3.838 1.00 0.00 C ATOM 996 CG GLU B 29 8.232 -4.578 4.812 1.00 0.00 C ATOM 997 CD GLU B 29 8.272 -4.131 6.262 1.00 0.00 C ATOM 998 OE1 GLU B 29 9.356 -4.190 6.884 1.00 0.00 O1- ATOM 999 OE2 GLU B 29 7.217 -3.721 6.787 1.00 0.00 O ATOM 0 H GLU B 29 9.237 -1.390 2.660 1.00 0.00 H new ATOM 0 HA GLU B 29 10.250 -2.755 4.907 1.00 0.00 H new ATOM 0 HB2 GLU B 29 7.856 -2.610 4.060 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.288 -3.779 2.827 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.250 -4.997 4.593 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.960 -5.375 4.662 1.00 0.00 H new ATOM 1006 N ILE B 30 11.230 -3.842 2.016 1.00 0.00 N ATOM 1007 CA ILE B 30 12.137 -4.739 1.319 1.00 0.00 C ATOM 1008 C ILE B 30 13.156 -3.933 0.531 1.00 0.00 C ATOM 1009 O ILE B 30 12.892 -2.794 0.147 1.00 0.00 O ATOM 1010 CB ILE B 30 11.375 -5.664 0.347 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.422 -4.837 -0.523 1.00 0.00 C ATOM 1012 CG2 ILE B 30 10.616 -6.741 1.112 1.00 0.00 C ATOM 1013 CD1 ILE B 30 9.761 -5.625 -1.630 1.00 0.00 C ATOM 0 H ILE B 30 10.877 -3.080 1.438 1.00 0.00 H new ATOM 0 HA ILE B 30 12.638 -5.353 2.068 1.00 0.00 H new ATOM 0 HB ILE B 30 12.095 -6.161 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.649 -4.404 0.112 1.00 0.00 H new ATOM 0 HG13 ILE B 30 10.975 -4.007 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.086 -7.382 0.408 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.319 -7.341 1.690 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.899 -6.272 1.786 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.103 -4.970 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.525 -6.036 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.178 -6.439 -1.199 1.00 0.00 H new ATOM 1025 N SER B 31 14.321 -4.514 0.304 1.00 0.00 N ATOM 1026 CA SER B 31 15.351 -3.848 -0.469 1.00 0.00 C ATOM 1027 C SER B 31 15.095 -4.061 -1.948 1.00 0.00 C ATOM 1028 O SER B 31 14.743 -5.161 -2.381 1.00 0.00 O ATOM 1029 CB SER B 31 16.734 -4.383 -0.118 1.00 0.00 C ATOM 1030 OG SER B 31 17.766 -3.537 -0.598 1.00 0.00 O ATOM 0 H SER B 31 14.576 -5.442 0.643 1.00 0.00 H new ATOM 0 HA SER B 31 15.319 -2.785 -0.232 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.821 -4.483 0.964 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.856 -5.380 -0.541 1.00 0.00 H new ATOM 0 HG SER B 31 17.373 -2.722 -0.974 1.00 0.00 H new ATOM 1036 N GLY B 32 15.286 -3.011 -2.707 1.00 0.00 N ATOM 1037 CA GLY B 32 15.085 -3.073 -4.131 1.00 0.00 C ATOM 1038 C GLY B 32 14.841 -1.711 -4.728 1.00 0.00 C ATOM 1039 O GLY B 32 15.237 -0.695 -4.153 1.00 0.00 O ATOM 0 H GLY B 32 15.582 -2.099 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY B 32 15.959 -3.523 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.236 -3.721 -4.349 1.00 0.00 H new ATOM 1043 N ILE B 33 14.197 -1.694 -5.880 1.00 0.00 N ATOM 1044 CA ILE B 33 13.872 -0.456 -6.561 1.00 0.00 C ATOM 1045 C ILE B 33 12.439 -0.043 -6.251 1.00 0.00 C ATOM 1046 O ILE B 33 11.491 -0.656 -6.736 1.00 0.00 O ATOM 1047 CB ILE B 33 14.041 -0.616 -8.086 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.490 -0.982 -8.426 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.618 0.651 -8.815 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.495 0.110 -8.111 1.00 0.00 C ATOM 0 H ILE B 33 13.886 -2.534 -6.368 1.00 0.00 H new ATOM 0 HA ILE B 33 14.555 0.316 -6.206 1.00 0.00 H new ATOM 0 HB ILE B 33 13.393 -1.426 -8.420 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.764 -1.883 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.553 -1.224 -9.487 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.746 0.513 -9.889 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.571 0.863 -8.599 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.233 1.486 -8.480 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.496 -0.228 -8.381 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.249 1.006 -8.680 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.464 0.337 -7.045 1.00 0.00 H new ATOM 1062 N VAL B 34 12.282 0.987 -5.440 1.00 0.00 N ATOM 1063 CA VAL B 34 10.959 1.490 -5.113 1.00 0.00 C ATOM 1064 C VAL B 34 10.469 2.412 -6.219 1.00 0.00 C ATOM 1065 O VAL B 34 11.178 3.320 -6.637 1.00 0.00 O ATOM 1066 CB VAL B 34 10.941 2.231 -3.754 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.006 3.315 -3.712 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.564 2.819 -3.475 1.00 0.00 C ATOM 0 H VAL B 34 13.050 1.490 -4.997 1.00 0.00 H new ATOM 0 HA VAL B 34 10.290 0.634 -5.027 1.00 0.00 H new ATOM 0 HB VAL B 34 11.166 1.505 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL B 34 11.973 3.821 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL B 34 12.989 2.865 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL B 34 11.821 4.038 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL B 34 9.576 3.335 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.304 3.526 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.825 2.018 -3.447 1.00 0.00 H new ATOM 1078 N SER B 35 9.274 2.158 -6.716 1.00 0.00 N ATOM 1079 CA SER B 35 8.718 2.969 -7.781 1.00 0.00 C ATOM 1080 C SER B 35 7.300 3.405 -7.441 1.00 0.00 C ATOM 1081 O SER B 35 6.671 2.848 -6.538 1.00 0.00 O ATOM 1082 CB SER B 35 8.763 2.200 -9.103 1.00 0.00 C ATOM 1083 OG SER B 35 8.245 0.885 -8.968 1.00 0.00 O ATOM 0 H SER B 35 8.671 1.398 -6.400 1.00 0.00 H new ATOM 0 HA SER B 35 9.321 3.870 -7.890 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.190 2.740 -9.857 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.792 2.150 -9.459 1.00 0.00 H new ATOM 0 HG SER B 35 8.222 0.638 -8.020 1.00 0.00 H new ATOM 1089 N PHE B 36 6.807 4.408 -8.155 1.00 0.00 N ATOM 1090 CA PHE B 36 5.488 4.952 -7.890 1.00 0.00 C ATOM 1091 C PHE B 36 4.545 4.681 -9.051 1.00 0.00 C ATOM 1092 O PHE B 36 4.975 4.498 -10.192 1.00 0.00 O ATOM 1093 CB PHE B 36 5.553 6.461 -7.644 1.00 0.00 C ATOM 1094 CG PHE B 36 6.350 6.873 -6.436 1.00 0.00 C ATOM 1095 CD1 PHE B 36 6.286 6.157 -5.248 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.149 8.002 -6.487 1.00 0.00 C ATOM 1097 CE1 PHE B 36 7.007 6.563 -4.144 1.00 0.00 C ATOM 1098 CE2 PHE B 36 7.871 8.409 -5.385 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.800 7.690 -4.212 1.00 0.00 C ATOM 0 H PHE B 36 7.304 4.860 -8.923 1.00 0.00 H new ATOM 0 HA PHE B 36 5.111 4.458 -6.994 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.982 6.940 -8.524 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.537 6.841 -7.538 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.666 5.275 -5.188 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.208 8.572 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE B 36 6.951 5.998 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.492 9.291 -5.441 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.364 8.008 -3.347 1.00 0.00 H new ATOM 1109 N GLY B 37 3.261 4.658 -8.747 1.00 0.00 N ATOM 1110 CA GLY B 37 2.256 4.475 -9.768 1.00 0.00 C ATOM 1111 C GLY B 37 1.056 5.377 -9.561 1.00 0.00 C ATOM 1112 O GLY B 37 1.123 6.332 -8.779 1.00 0.00 O ATOM 0 H GLY B 37 2.893 4.764 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.694 4.675 -10.746 1.00 0.00 H new ATOM 0 HA3 GLY B 37 1.930 3.435 -9.772 1.00 0.00 H new ATOM 1116 N LYS B 38 -0.051 5.027 -10.215 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.251 5.865 -10.260 1.00 0.00 C ATOM 1118 C LYS B 38 -1.745 6.250 -8.864 1.00 0.00 C ATOM 1119 O LYS B 38 -1.690 5.457 -7.914 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.383 5.152 -11.033 1.00 0.00 C ATOM 1121 CG LYS B 38 -3.230 4.193 -10.199 1.00 0.00 C ATOM 1122 CD LYS B 38 -2.413 3.055 -9.616 1.00 0.00 C ATOM 1123 CE LYS B 38 -3.157 2.378 -8.481 1.00 0.00 C ATOM 1124 NZ LYS B 38 -3.492 3.341 -7.398 1.00 0.00 N1+ ATOM 0 H LYS B 38 -0.142 4.152 -10.731 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.974 6.782 -10.779 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -3.038 5.908 -11.467 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -1.943 4.597 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.708 4.745 -9.390 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -4.027 3.783 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -2.190 2.326 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -1.458 3.436 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -4.072 1.926 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -2.547 1.570 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -3.797 2.819 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -2.653 3.912 -7.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -4.260 3.966 -7.715 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.194 7.485 -8.751 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.830 7.976 -7.544 1.00 0.00 C ATOM 1140 C GLU B 39 -4.150 8.661 -7.897 1.00 0.00 C ATOM 1141 O GLU B 39 -4.170 9.664 -8.610 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.897 8.925 -6.777 1.00 0.00 C ATOM 1143 CG GLU B 39 -0.681 9.416 -7.560 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.038 10.261 -8.764 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -1.401 11.439 -8.582 1.00 0.00 O1- ATOM 1146 OE2 GLU B 39 -0.951 9.748 -9.896 1.00 0.00 O ATOM 0 H GLU B 39 -2.128 8.178 -9.496 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.042 7.131 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.473 9.791 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.549 8.418 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.041 9.997 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.100 8.555 -7.890 1.00 0.00 H new ATOM 1153 N THR B 40 -5.248 8.096 -7.402 1.00 0.00 N ATOM 1154 CA THR B 40 -6.596 8.542 -7.760 1.00 0.00 C ATOM 1155 C THR B 40 -6.850 10.018 -7.423 1.00 0.00 C ATOM 1156 O THR B 40 -7.627 10.689 -8.105 1.00 0.00 O ATOM 1157 CB THR B 40 -7.667 7.666 -7.064 1.00 0.00 C ATOM 1158 OG1 THR B 40 -8.978 8.010 -7.528 1.00 0.00 O ATOM 1159 CG2 THR B 40 -7.609 7.821 -5.548 1.00 0.00 C ATOM 0 H THR B 40 -5.231 7.318 -6.743 1.00 0.00 H new ATOM 0 HA THR B 40 -6.671 8.434 -8.842 1.00 0.00 H new ATOM 0 HB THR B 40 -7.455 6.627 -7.317 1.00 0.00 H new ATOM 0 HG1 THR B 40 -9.569 8.155 -6.760 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.373 7.194 -5.089 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.626 7.517 -5.189 1.00 0.00 H new ATOM 0 HG23 THR B 40 -7.787 8.863 -5.282 1.00 0.00 H new ATOM 1167 N LYS B 41 -6.199 10.527 -6.385 1.00 0.00 N ATOM 1168 CA LYS B 41 -6.464 11.884 -5.928 1.00 0.00 C ATOM 1169 C LYS B 41 -5.179 12.563 -5.461 1.00 0.00 C ATOM 1170 O LYS B 41 -4.562 13.323 -6.206 1.00 0.00 O ATOM 1171 CB LYS B 41 -7.488 11.851 -4.790 1.00 0.00 C ATOM 1172 CG LYS B 41 -8.061 13.209 -4.425 1.00 0.00 C ATOM 1173 CD LYS B 41 -9.113 13.650 -5.427 1.00 0.00 C ATOM 1174 CE LYS B 41 -9.786 14.942 -4.996 1.00 0.00 C ATOM 1175 NZ LYS B 41 -10.278 14.879 -3.591 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.491 10.026 -5.849 1.00 0.00 H new ATOM 0 HA LYS B 41 -6.866 12.460 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -8.306 11.189 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.018 11.419 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -8.500 13.165 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -7.259 13.946 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -8.651 13.788 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -9.863 12.867 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -9.081 15.768 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -10.622 15.154 -5.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -11.163 15.419 -3.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -10.451 13.888 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -9.564 15.286 -2.954 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.784 12.276 -4.227 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.565 12.837 -3.677 1.00 0.00 C ATOM 1191 C GLY B 42 -2.760 11.782 -2.960 1.00 0.00 C ATOM 1192 O GLY B 42 -2.292 11.980 -1.838 1.00 0.00 O ATOM 0 H GLY B 42 -5.291 11.659 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -2.968 13.274 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -3.811 13.644 -2.986 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.619 10.645 -3.608 1.00 0.00 N ATOM 1197 CA LYS B 43 -1.949 9.503 -3.018 1.00 0.00 C ATOM 1198 C LYS B 43 -0.658 9.206 -3.758 1.00 0.00 C ATOM 1199 O LYS B 43 -0.143 10.050 -4.490 1.00 0.00 O ATOM 1200 CB LYS B 43 -2.873 8.284 -3.055 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.596 8.003 -1.745 1.00 0.00 C ATOM 1202 CD LYS B 43 -4.298 9.232 -1.184 1.00 0.00 C ATOM 1203 CE LYS B 43 -5.380 8.829 -0.208 1.00 0.00 C ATOM 1204 NZ LYS B 43 -6.096 9.998 0.368 1.00 0.00 N1+ ATOM 0 H LYS B 43 -2.964 10.485 -4.555 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.706 9.734 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -3.614 8.429 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -2.286 7.407 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.329 7.212 -1.902 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.879 7.633 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.573 9.876 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -4.733 9.812 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -6.097 8.182 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.937 8.245 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -7.097 9.755 0.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -5.666 10.254 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -6.027 10.804 -0.286 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.128 8.018 -3.550 1.00 0.00 N ATOM 1219 CA ARG B 44 1.063 7.586 -4.243 1.00 0.00 C ATOM 1220 C ARG B 44 1.134 6.058 -4.221 1.00 0.00 C ATOM 1221 O ARG B 44 1.117 5.449 -3.152 1.00 0.00 O ATOM 1222 CB ARG B 44 2.293 8.214 -3.570 1.00 0.00 C ATOM 1223 CG ARG B 44 3.609 7.932 -4.267 1.00 0.00 C ATOM 1224 CD ARG B 44 4.018 9.077 -5.178 1.00 0.00 C ATOM 1225 NE ARG B 44 3.053 9.308 -6.254 1.00 0.00 N ATOM 1226 CZ ARG B 44 3.402 9.642 -7.496 1.00 0.00 C ATOM 1227 NH1 ARG B 44 4.670 9.910 -7.783 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 2.481 9.743 -8.444 1.00 0.00 N ATOM 0 H ARG B 44 -0.509 7.331 -2.900 1.00 0.00 H new ATOM 0 HA ARG B 44 1.038 7.911 -5.283 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.150 9.293 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.355 7.849 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.387 7.764 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.523 7.015 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.124 9.987 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.995 8.862 -5.610 1.00 0.00 H new ATOM 0 HE ARG B 44 2.060 9.208 -6.042 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.380 9.861 -7.052 1.00 0.00 H new ATOM 0 HH12 ARG B 44 4.935 10.165 -8.734 1.00 0.00 H new ATOM 0 HH21 ARG B 44 1.501 9.565 -8.224 1.00 0.00 H new ATOM 0 HH22 ARG B 44 2.752 9.999 -9.393 1.00 0.00 H new ATOM 1242 N ARG B 45 1.167 5.434 -5.394 1.00 0.00 N ATOM 1243 CA ARG B 45 1.239 3.977 -5.460 1.00 0.00 C ATOM 1244 C ARG B 45 2.661 3.511 -5.176 1.00 0.00 C ATOM 1245 O ARG B 45 3.563 3.746 -5.973 1.00 0.00 O ATOM 1246 CB ARG B 45 0.794 3.468 -6.834 1.00 0.00 C ATOM 1247 CG ARG B 45 0.752 1.951 -6.943 1.00 0.00 C ATOM 1248 CD ARG B 45 0.595 1.495 -8.385 1.00 0.00 C ATOM 1249 NE ARG B 45 0.396 0.050 -8.498 1.00 0.00 N ATOM 1250 CZ ARG B 45 -0.266 -0.533 -9.499 1.00 0.00 C ATOM 1251 NH1 ARG B 45 -0.770 0.197 -10.485 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 -0.405 -1.847 -9.528 1.00 0.00 N ATOM 0 H ARG B 45 1.146 5.904 -6.299 1.00 0.00 H new ATOM 0 HA ARG B 45 0.566 3.570 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.196 3.866 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.472 3.859 -7.593 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.667 1.531 -6.526 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.076 1.566 -6.347 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.253 2.011 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG B 45 1.481 1.782 -8.952 1.00 0.00 H new ATOM 0 HE ARG B 45 0.786 -0.547 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -0.653 1.210 -10.481 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -1.275 -0.255 -11.247 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -0.006 -2.419 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -0.912 -2.289 -10.295 1.00 0.00 H new ATOM 1266 N LEU B 46 2.854 2.864 -4.040 1.00 0.00 N ATOM 1267 CA LEU B 46 4.169 2.378 -3.651 1.00 0.00 C ATOM 1268 C LEU B 46 4.366 0.944 -4.107 1.00 0.00 C ATOM 1269 O LEU B 46 3.841 0.009 -3.503 1.00 0.00 O ATOM 1270 CB LEU B 46 4.354 2.473 -2.133 1.00 0.00 C ATOM 1271 CG LEU B 46 4.946 3.785 -1.612 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.412 3.899 -1.993 1.00 0.00 C ATOM 1273 CD2 LEU B 46 4.168 4.981 -2.136 1.00 0.00 C ATOM 0 H LEU B 46 2.114 2.662 -3.367 1.00 0.00 H new ATOM 0 HA LEU B 46 4.917 3.006 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU B 46 3.385 2.320 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU B 46 4.998 1.654 -1.813 1.00 0.00 H new ATOM 0 HG LEU B 46 4.869 3.779 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU B 46 6.815 4.838 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.966 3.066 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.509 3.875 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU B 46 4.610 5.900 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU B 46 4.205 4.990 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU B 46 3.131 4.912 -1.809 1.00 0.00 H new ATOM 1285 N VAL B 47 5.115 0.781 -5.181 1.00 0.00 N ATOM 1286 CA VAL B 47 5.430 -0.538 -5.699 1.00 0.00 C ATOM 1287 C VAL B 47 6.938 -0.771 -5.673 1.00 0.00 C ATOM 1288 O VAL B 47 7.684 -0.226 -6.493 1.00 0.00 O ATOM 1289 CB VAL B 47 4.872 -0.742 -7.131 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.377 -1.002 -7.083 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.152 0.465 -8.018 1.00 0.00 C ATOM 0 H VAL B 47 5.519 1.550 -5.715 1.00 0.00 H new ATOM 0 HA VAL B 47 4.947 -1.271 -5.053 1.00 0.00 H new ATOM 0 HB VAL B 47 5.379 -1.607 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL B 47 3.000 -1.143 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL B 47 3.182 -1.899 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.874 -0.151 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.747 0.286 -9.014 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.682 1.349 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.228 0.624 -8.087 1.00 0.00 H new ATOM 1301 N ILE B 48 7.391 -1.561 -4.711 1.00 0.00 N ATOM 1302 CA ILE B 48 8.814 -1.820 -4.558 1.00 0.00 C ATOM 1303 C ILE B 48 9.204 -3.082 -5.306 1.00 0.00 C ATOM 1304 O ILE B 48 8.524 -4.102 -5.221 1.00 0.00 O ATOM 1305 CB ILE B 48 9.227 -1.952 -3.074 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.702 -0.757 -2.272 1.00 0.00 C ATOM 1307 CG2 ILE B 48 10.750 -2.050 -2.950 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.013 -0.830 -0.793 1.00 0.00 C ATOM 0 H ILE B 48 6.797 -2.031 -4.028 1.00 0.00 H new ATOM 0 HA ILE B 48 9.341 -0.963 -4.978 1.00 0.00 H new ATOM 0 HB ILE B 48 8.789 -2.864 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.131 0.159 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.622 -0.689 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.024 -2.142 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.104 -2.925 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.207 -1.153 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.610 0.050 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.561 -1.727 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.093 -0.866 -0.650 1.00 0.00 H new ATOM 1320 N THR B 49 10.284 -2.990 -6.058 1.00 0.00 N ATOM 1321 CA THR B 49 10.811 -4.119 -6.797 1.00 0.00 C ATOM 1322 C THR B 49 11.971 -4.758 -6.027 1.00 0.00 C ATOM 1323 O THR B 49 13.106 -4.283 -6.094 1.00 0.00 O ATOM 1324 CB THR B 49 11.278 -3.672 -8.198 1.00 0.00 C ATOM 1325 OG1 THR B 49 10.174 -3.091 -8.907 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.835 -4.845 -8.990 1.00 0.00 C ATOM 0 H THR B 49 10.820 -2.130 -6.173 1.00 0.00 H new ATOM 0 HA THR B 49 10.020 -4.860 -6.916 1.00 0.00 H new ATOM 0 HB THR B 49 12.072 -2.934 -8.078 1.00 0.00 H new ATOM 0 HG1 THR B 49 10.470 -2.805 -9.796 1.00 0.00 H new ATOM 0 HG21 THR B 49 12.156 -4.501 -9.973 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.686 -5.271 -8.459 1.00 0.00 H new ATOM 0 HG23 THR B 49 11.062 -5.605 -9.107 1.00 0.00 H new ATOM 1334 N PRO B 50 11.688 -5.829 -5.263 1.00 0.00 N ATOM 1335 CA PRO B 50 12.676 -6.476 -4.395 1.00 0.00 C ATOM 1336 C PRO B 50 13.876 -7.045 -5.144 1.00 0.00 C ATOM 1337 O PRO B 50 13.740 -7.694 -6.183 1.00 0.00 O ATOM 1338 CB PRO B 50 11.899 -7.616 -3.727 1.00 0.00 C ATOM 1339 CG PRO B 50 10.698 -7.826 -4.581 1.00 0.00 C ATOM 1340 CD PRO B 50 10.375 -6.488 -5.175 1.00 0.00 C ATOM 0 HA PRO B 50 13.099 -5.751 -3.700 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.503 -8.522 -3.668 1.00 0.00 H new ATOM 0 HB3 PRO B 50 11.616 -7.354 -2.707 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.897 -8.561 -5.361 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.862 -8.204 -3.993 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.908 -6.585 -6.155 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.684 -5.926 -4.547 1.00 0.00 H new ATOM 1348 N VAL B 51 15.051 -6.777 -4.601 1.00 0.00 N ATOM 1349 CA VAL B 51 16.290 -7.378 -5.076 1.00 0.00 C ATOM 1350 C VAL B 51 16.844 -8.301 -3.999 1.00 0.00 C ATOM 1351 O VAL B 51 17.744 -9.106 -4.235 1.00 0.00 O ATOM 1352 CB VAL B 51 17.346 -6.305 -5.400 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.851 -5.376 -6.498 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.706 -5.526 -4.143 1.00 0.00 C ATOM 0 H VAL B 51 15.175 -6.136 -3.817 1.00 0.00 H new ATOM 0 HA VAL B 51 16.070 -7.935 -5.987 1.00 0.00 H new ATOM 0 HB VAL B 51 18.246 -6.800 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL B 51 17.613 -4.626 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL B 51 16.649 -5.954 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.936 -4.882 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.453 -4.770 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL B 51 16.814 -5.040 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.109 -6.209 -3.395 1.00 0.00 H new ATOM 1364 N ASP B 52 16.280 -8.157 -2.808 1.00 0.00 N ATOM 1365 CA ASP B 52 16.721 -8.888 -1.626 1.00 0.00 C ATOM 1366 C ASP B 52 16.152 -10.303 -1.617 1.00 0.00 C ATOM 1367 O ASP B 52 16.682 -11.199 -0.961 1.00 0.00 O ATOM 1368 CB ASP B 52 16.291 -8.104 -0.380 1.00 0.00 C ATOM 1369 CG ASP B 52 16.303 -8.919 0.899 1.00 0.00 C ATOM 1370 OD1 ASP B 52 17.397 -9.134 1.463 1.00 0.00 O1- ATOM 1371 OD2 ASP B 52 15.217 -9.317 1.362 1.00 0.00 O ATOM 0 H ASP B 52 15.498 -7.526 -2.632 1.00 0.00 H new ATOM 0 HA ASP B 52 17.807 -8.984 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP B 52 16.952 -7.246 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP B 52 15.286 -7.712 -0.539 1.00 0.00 H new ATOM 1376 N GLY B 53 15.085 -10.495 -2.372 1.00 0.00 N ATOM 1377 CA GLY B 53 14.456 -11.792 -2.470 1.00 0.00 C ATOM 1378 C GLY B 53 13.128 -11.691 -3.173 1.00 0.00 C ATOM 1379 O GLY B 53 12.649 -10.585 -3.428 1.00 0.00 O ATOM 0 H GLY B 53 14.638 -9.765 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.108 -12.477 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.314 -12.208 -1.473 1.00 0.00 H new ATOM 1383 N SER B 54 12.523 -12.824 -3.487 1.00 0.00 N ATOM 1384 CA SER B 54 11.237 -12.833 -4.165 1.00 0.00 C ATOM 1385 C SER B 54 10.101 -12.599 -3.171 1.00 0.00 C ATOM 1386 O SER B 54 9.244 -13.458 -2.970 1.00 0.00 O ATOM 1387 CB SER B 54 11.049 -14.155 -4.912 1.00 0.00 C ATOM 1388 OG SER B 54 11.394 -15.260 -4.094 1.00 0.00 O ATOM 0 H SER B 54 12.901 -13.749 -3.284 1.00 0.00 H new ATOM 0 HA SER B 54 11.216 -12.020 -4.891 1.00 0.00 H new ATOM 0 HB2 SER B 54 10.012 -14.249 -5.236 1.00 0.00 H new ATOM 0 HB3 SER B 54 11.665 -14.158 -5.811 1.00 0.00 H new ATOM 0 HG SER B 54 11.263 -16.092 -4.595 1.00 0.00 H new ATOM 1394 N ASP B 55 10.107 -11.427 -2.552 1.00 0.00 N ATOM 1395 CA ASP B 55 9.100 -11.073 -1.562 1.00 0.00 C ATOM 1396 C ASP B 55 8.426 -9.764 -1.951 1.00 0.00 C ATOM 1397 O ASP B 55 8.926 -8.687 -1.636 1.00 0.00 O ATOM 1398 CB ASP B 55 9.739 -10.940 -0.177 1.00 0.00 C ATOM 1399 CG ASP B 55 8.712 -10.931 0.937 1.00 0.00 C ATOM 1400 OD1 ASP B 55 8.208 -12.017 1.291 1.00 0.00 O ATOM 1401 OD2 ASP B 55 8.411 -9.849 1.480 1.00 0.00 O1- ATOM 0 H ASP B 55 10.803 -10.701 -2.720 1.00 0.00 H new ATOM 0 HA ASP B 55 8.351 -11.864 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP B 55 10.433 -11.765 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP B 55 10.323 -10.020 -0.136 1.00 0.00 H new ATOM 1406 N PRO B 56 7.297 -9.842 -2.669 1.00 0.00 N ATOM 1407 CA PRO B 56 6.569 -8.658 -3.139 1.00 0.00 C ATOM 1408 C PRO B 56 6.015 -7.816 -1.993 1.00 0.00 C ATOM 1409 O PRO B 56 5.469 -8.350 -1.023 1.00 0.00 O ATOM 1410 CB PRO B 56 5.413 -9.239 -3.964 1.00 0.00 C ATOM 1411 CG PRO B 56 5.804 -10.646 -4.254 1.00 0.00 C ATOM 1412 CD PRO B 56 6.642 -11.089 -3.092 1.00 0.00 C ATOM 0 HA PRO B 56 7.222 -7.990 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO B 56 4.475 -9.198 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO B 56 5.264 -8.675 -4.885 1.00 0.00 H new ATOM 0 HG2 PRO B 56 4.925 -11.280 -4.365 1.00 0.00 H new ATOM 0 HG3 PRO B 56 6.364 -10.711 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.034 -11.517 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO B 56 7.368 -11.849 -3.383 1.00 0.00 H new ATOM 1420 N TYR B 57 6.149 -6.503 -2.109 1.00 0.00 N ATOM 1421 CA TYR B 57 5.599 -5.592 -1.121 1.00 0.00 C ATOM 1422 C TYR B 57 5.122 -4.314 -1.795 1.00 0.00 C ATOM 1423 O TYR B 57 5.925 -3.504 -2.271 1.00 0.00 O ATOM 1424 CB TYR B 57 6.627 -5.261 -0.039 1.00 0.00 C ATOM 1425 CG TYR B 57 6.072 -4.386 1.062 1.00 0.00 C ATOM 1426 CD1 TYR B 57 5.280 -4.924 2.069 1.00 0.00 C ATOM 1427 CD2 TYR B 57 6.335 -3.024 1.092 1.00 0.00 C ATOM 1428 CE1 TYR B 57 4.767 -4.127 3.074 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.827 -2.222 2.093 1.00 0.00 C ATOM 1430 CZ TYR B 57 5.045 -2.777 3.083 1.00 0.00 C ATOM 1431 OH TYR B 57 4.539 -1.979 4.083 1.00 0.00 O ATOM 0 H TYR B 57 6.635 -6.046 -2.880 1.00 0.00 H new ATOM 0 HA TYR B 57 4.752 -6.085 -0.644 1.00 0.00 H new ATOM 0 HB2 TYR B 57 6.999 -6.189 0.396 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.479 -4.760 -0.498 1.00 0.00 H new ATOM 0 HD1 TYR B 57 5.062 -5.982 2.066 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.948 -2.584 0.319 1.00 0.00 H new ATOM 0 HE1 TYR B 57 4.151 -4.560 3.849 1.00 0.00 H new ATOM 0 HE2 TYR B 57 6.041 -1.163 2.101 1.00 0.00 H new ATOM 0 HH TYR B 57 4.055 -1.225 3.686 1.00 0.00 H new ATOM 1441 N GLU B 58 3.812 -4.147 -1.829 1.00 0.00 N ATOM 1442 CA GLU B 58 3.196 -2.994 -2.456 1.00 0.00 C ATOM 1443 C GLU B 58 2.151 -2.397 -1.524 1.00 0.00 C ATOM 1444 O GLU B 58 1.443 -3.130 -0.835 1.00 0.00 O ATOM 1445 CB GLU B 58 2.523 -3.387 -3.775 1.00 0.00 C ATOM 1446 CG GLU B 58 3.472 -3.846 -4.875 1.00 0.00 C ATOM 1447 CD GLU B 58 3.958 -5.276 -4.718 1.00 0.00 C ATOM 1448 OE1 GLU B 58 3.119 -6.196 -4.615 1.00 0.00 O1- ATOM 1449 OE2 GLU B 58 5.186 -5.486 -4.731 1.00 0.00 O ATOM 0 H GLU B 58 3.147 -4.806 -1.423 1.00 0.00 H new ATOM 0 HA GLU B 58 3.976 -2.260 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.809 -4.186 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.952 -2.534 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.970 -3.748 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.335 -3.181 -4.896 1.00 0.00 H new ATOM 1456 N GLU B 59 2.051 -1.076 -1.496 1.00 0.00 N ATOM 1457 CA GLU B 59 1.050 -0.419 -0.671 1.00 0.00 C ATOM 1458 C GLU B 59 0.696 0.954 -1.230 1.00 0.00 C ATOM 1459 O GLU B 59 1.296 1.423 -2.198 1.00 0.00 O ATOM 1460 CB GLU B 59 1.527 -0.298 0.780 1.00 0.00 C ATOM 1461 CG GLU B 59 2.715 0.625 0.983 1.00 0.00 C ATOM 1462 CD GLU B 59 3.085 0.768 2.446 1.00 0.00 C ATOM 1463 OE1 GLU B 59 2.293 1.357 3.212 1.00 0.00 O ATOM 1464 OE2 GLU B 59 4.168 0.291 2.839 1.00 0.00 O1- ATOM 0 H GLU B 59 2.646 -0.443 -2.031 1.00 0.00 H new ATOM 0 HA GLU B 59 0.152 -1.037 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.698 0.059 1.392 1.00 0.00 H new ATOM 0 HB3 GLU B 59 1.789 -1.291 1.146 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.571 0.240 0.429 1.00 0.00 H new ATOM 0 HG3 GLU B 59 2.485 1.607 0.570 1.00 0.00 H new ATOM 1471 N MET B 60 -0.293 1.583 -0.621 1.00 0.00 N ATOM 1472 CA MET B 60 -0.762 2.887 -1.054 1.00 0.00 C ATOM 1473 C MET B 60 -0.447 3.940 0.000 1.00 0.00 C ATOM 1474 O MET B 60 -1.215 4.155 0.943 1.00 0.00 O ATOM 1475 CB MET B 60 -2.267 2.830 -1.362 1.00 0.00 C ATOM 1476 CG MET B 60 -2.946 4.189 -1.453 1.00 0.00 C ATOM 1477 SD MET B 60 -4.351 4.197 -2.583 1.00 0.00 S ATOM 1478 CE MET B 60 -5.386 2.930 -1.855 1.00 0.00 C ATOM 0 H MET B 60 -0.792 1.206 0.185 1.00 0.00 H new ATOM 0 HA MET B 60 -0.242 3.169 -1.969 1.00 0.00 H new ATOM 0 HB2 MET B 60 -2.412 2.302 -2.304 1.00 0.00 H new ATOM 0 HB3 MET B 60 -2.761 2.243 -0.588 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.283 4.488 -0.461 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.219 4.932 -1.780 1.00 0.00 H new ATOM 0 HE1 MET B 60 -6.333 2.881 -2.392 1.00 0.00 H new ATOM 0 HE2 MET B 60 -4.882 1.966 -1.921 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.574 3.171 -0.809 1.00 0.00 H new ATOM 1488 N ILE B 61 0.702 4.572 -0.157 1.00 0.00 N ATOM 1489 CA ILE B 61 1.118 5.629 0.743 1.00 0.00 C ATOM 1490 C ILE B 61 0.735 6.979 0.152 1.00 0.00 C ATOM 1491 O ILE B 61 1.097 7.292 -0.976 1.00 0.00 O ATOM 1492 CB ILE B 61 2.639 5.595 1.008 1.00 0.00 C ATOM 1493 CG1 ILE B 61 3.051 4.253 1.615 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.038 6.734 1.925 1.00 0.00 C ATOM 1495 CD1 ILE B 61 4.497 4.199 2.068 1.00 0.00 C ATOM 0 H ILE B 61 1.366 4.369 -0.904 1.00 0.00 H new ATOM 0 HA ILE B 61 0.611 5.475 1.695 1.00 0.00 H new ATOM 0 HB ILE B 61 3.157 5.714 0.057 1.00 0.00 H new ATOM 0 HG12 ILE B 61 2.406 4.038 2.467 1.00 0.00 H new ATOM 0 HG13 ILE B 61 2.882 3.466 0.880 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.113 6.698 2.103 1.00 0.00 H new ATOM 0 HG22 ILE B 61 2.779 7.684 1.458 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.509 6.640 2.874 1.00 0.00 H new ATOM 0 HD11 ILE B 61 4.711 3.215 2.486 1.00 0.00 H new ATOM 0 HD12 ILE B 61 5.152 4.381 1.216 1.00 0.00 H new ATOM 0 HD13 ILE B 61 4.669 4.962 2.828 1.00 0.00 H new ATOM 1507 N PRO B 62 -0.037 7.778 0.895 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.468 9.107 0.449 1.00 0.00 C ATOM 1509 C PRO B 62 0.705 10.026 0.119 1.00 0.00 C ATOM 1510 O PRO B 62 1.792 9.897 0.679 1.00 0.00 O ATOM 1511 CB PRO B 62 -1.233 9.651 1.648 1.00 0.00 C ATOM 1512 CG PRO B 62 -1.658 8.450 2.411 1.00 0.00 C ATOM 1513 CD PRO B 62 -0.564 7.445 2.225 1.00 0.00 C ATOM 0 HA PRO B 62 -1.055 9.051 -0.468 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -0.604 10.302 2.255 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -2.092 10.242 1.332 1.00 0.00 H new ATOM 0 HG2 PRO B 62 -1.798 8.686 3.466 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -2.609 8.067 2.041 1.00 0.00 H new ATOM 0 HD2 PRO B 62 0.201 7.533 2.997 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -0.942 6.424 2.266 1.00 0.00 H new ATOM 1521 N LYS B 63 0.454 10.978 -0.774 1.00 0.00 N ATOM 1522 CA LYS B 63 1.496 11.861 -1.289 1.00 0.00 C ATOM 1523 C LYS B 63 1.919 12.877 -0.222 1.00 0.00 C ATOM 1524 O LYS B 63 2.989 13.477 -0.306 1.00 0.00 O ATOM 1525 CB LYS B 63 0.972 12.566 -2.553 1.00 0.00 C ATOM 1526 CG LYS B 63 2.050 13.017 -3.539 1.00 0.00 C ATOM 1527 CD LYS B 63 2.757 14.290 -3.098 1.00 0.00 C ATOM 1528 CE LYS B 63 1.801 15.470 -3.015 1.00 0.00 C ATOM 1529 NZ LYS B 63 2.489 16.709 -2.571 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.473 11.159 -1.160 1.00 0.00 H new ATOM 0 HA LYS B 63 2.379 11.276 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.289 11.892 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS B 63 0.392 13.437 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS B 63 2.785 12.221 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS B 63 1.597 13.179 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS B 63 3.221 14.129 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS B 63 3.559 14.521 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS B 63 1.345 15.637 -3.991 1.00 0.00 H new ATOM 0 HE3 LYS B 63 0.993 15.235 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 1.804 17.490 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 2.902 16.558 -1.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 3.243 16.948 -3.246 1.00 0.00 H new ATOM 1543 N TRP B 64 1.081 13.048 0.795 1.00 0.00 N ATOM 1544 CA TRP B 64 1.376 13.992 1.879 1.00 0.00 C ATOM 1545 C TRP B 64 2.376 13.373 2.844 1.00 0.00 C ATOM 1546 O TRP B 64 3.021 14.064 3.634 1.00 0.00 O ATOM 1547 CB TRP B 64 0.110 14.392 2.651 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.167 13.936 2.018 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -1.717 14.397 0.859 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -2.063 12.937 2.522 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -2.888 13.733 0.598 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -3.124 12.834 1.605 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -2.069 12.112 3.658 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -4.177 11.946 1.782 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -3.118 11.228 3.833 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -4.156 11.150 2.898 1.00 0.00 C ATOM 0 H TRP B 64 0.196 12.551 0.896 1.00 0.00 H new ATOM 0 HA TRP B 64 1.795 14.891 1.426 1.00 0.00 H new ATOM 0 HB2 TRP B 64 0.169 13.982 3.659 1.00 0.00 H new ATOM 0 HB3 TRP B 64 0.086 15.477 2.749 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -1.293 15.172 0.237 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.486 13.884 -0.214 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -1.269 12.167 4.382 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.983 11.885 1.066 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -3.136 10.589 4.703 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -4.959 10.446 3.059 1.00 0.00 H new ATOM 1567 N ARG B 65 2.491 12.059 2.766 1.00 0.00 N ATOM 1568 CA ARG B 65 3.415 11.309 3.593 1.00 0.00 C ATOM 1569 C ARG B 65 4.833 11.497 3.086 1.00 0.00 C ATOM 1570 O ARG B 65 5.081 11.447 1.880 1.00 0.00 O ATOM 1571 CB ARG B 65 3.034 9.828 3.563 1.00 0.00 C ATOM 1572 CG ARG B 65 4.029 8.895 4.239 1.00 0.00 C ATOM 1573 CD ARG B 65 4.061 9.085 5.745 1.00 0.00 C ATOM 1574 NE ARG B 65 4.478 7.866 6.438 1.00 0.00 N ATOM 1575 CZ ARG B 65 4.622 7.772 7.759 1.00 0.00 C ATOM 1576 NH1 ARG B 65 4.497 8.851 8.522 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 4.908 6.602 8.317 1.00 0.00 N ATOM 0 H ARG B 65 1.945 11.483 2.126 1.00 0.00 H new ATOM 0 HA ARG B 65 3.362 11.672 4.619 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.063 9.708 4.043 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.917 9.519 2.524 1.00 0.00 H new ATOM 0 HG2 ARG B 65 3.769 7.862 4.010 1.00 0.00 H new ATOM 0 HG3 ARG B 65 5.024 9.071 3.831 1.00 0.00 H new ATOM 0 HD2 ARG B 65 4.744 9.897 5.994 1.00 0.00 H new ATOM 0 HD3 ARG B 65 3.072 9.382 6.095 1.00 0.00 H new ATOM 0 HE ARG B 65 4.670 7.037 5.875 1.00 0.00 H new ATOM 0 HH11 ARG B 65 4.290 9.755 8.097 1.00 0.00 H new ATOM 0 HH12 ARG B 65 4.608 8.776 9.533 1.00 0.00 H new ATOM 0 HH21 ARG B 65 5.018 5.772 7.734 1.00 0.00 H new ATOM 0 HH22 ARG B 65 5.018 6.533 9.329 1.00 0.00 H new ATOM 1591 N GLN B 66 5.753 11.733 4.005 1.00 0.00 N ATOM 1592 CA GLN B 66 7.159 11.794 3.662 1.00 0.00 C ATOM 1593 C GLN B 66 7.621 10.406 3.248 1.00 0.00 C ATOM 1594 O GLN B 66 7.741 9.499 4.070 1.00 0.00 O ATOM 1595 CB GLN B 66 7.985 12.335 4.838 1.00 0.00 C ATOM 1596 CG GLN B 66 7.639 11.716 6.184 1.00 0.00 C ATOM 1597 CD GLN B 66 8.423 12.321 7.332 1.00 0.00 C ATOM 1598 OE1 GLN B 66 8.764 13.594 7.217 1.00 0.00 O flip ATOM 1599 NE2 GLN B 66 8.706 11.651 8.323 1.00 0.00 N flip ATOM 0 H GLN B 66 5.550 11.885 4.993 1.00 0.00 H new ATOM 0 HA GLN B 66 7.306 12.481 2.829 1.00 0.00 H new ATOM 0 HB2 GLN B 66 9.042 12.164 4.634 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.843 13.414 4.900 1.00 0.00 H new ATOM 0 HG2 GLN B 66 6.573 11.842 6.373 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.831 10.644 6.145 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.425 10.672 8.374 1.00 0.00 H new ATOM 0 HE22 GLN B 66 9.222 12.074 9.094 1.00 0.00 H new ATOM 1608 N LEU B 67 7.828 10.247 1.955 1.00 0.00 N ATOM 1609 CA LEU B 67 8.103 8.950 1.369 1.00 0.00 C ATOM 1610 C LEU B 67 9.546 8.533 1.603 1.00 0.00 C ATOM 1611 O LEU B 67 10.379 9.357 1.990 1.00 0.00 O ATOM 1612 CB LEU B 67 7.788 8.994 -0.126 1.00 0.00 C ATOM 1613 CG LEU B 67 6.325 9.298 -0.456 1.00 0.00 C ATOM 1614 CD1 LEU B 67 6.197 9.863 -1.862 1.00 0.00 C ATOM 1615 CD2 LEU B 67 5.483 8.043 -0.317 1.00 0.00 C ATOM 0 H LEU B 67 7.810 11.013 1.282 1.00 0.00 H new ATOM 0 HA LEU B 67 7.469 8.206 1.850 1.00 0.00 H new ATOM 0 HB2 LEU B 67 8.418 9.750 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.056 8.035 -0.570 1.00 0.00 H new ATOM 0 HG LEU B 67 5.963 10.046 0.250 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.149 10.072 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.774 10.785 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU B 67 6.577 9.138 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.444 8.273 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU B 67 5.851 7.280 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU B 67 5.548 7.673 0.706 1.00 0.00 H new ATOM 1627 N ASN B 68 9.839 7.262 1.381 1.00 0.00 N ATOM 1628 CA ASN B 68 11.183 6.749 1.595 1.00 0.00 C ATOM 1629 C ASN B 68 12.163 7.433 0.642 1.00 0.00 C ATOM 1630 O ASN B 68 13.196 7.950 1.068 1.00 0.00 O ATOM 1631 CB ASN B 68 11.222 5.211 1.444 1.00 0.00 C ATOM 1632 CG ASN B 68 10.797 4.710 0.073 1.00 0.00 C ATOM 1633 OD1 ASN B 68 9.948 5.302 -0.590 1.00 0.00 O ATOM 1634 ND2 ASN B 68 11.392 3.609 -0.358 1.00 0.00 N ATOM 0 H ASN B 68 9.167 6.568 1.054 1.00 0.00 H new ATOM 0 HA ASN B 68 11.486 6.978 2.617 1.00 0.00 H new ATOM 0 HB2 ASN B 68 12.234 4.862 1.648 1.00 0.00 H new ATOM 0 HB3 ASN B 68 10.573 4.766 2.199 1.00 0.00 H new ATOM 0 HD21 ASN B 68 11.151 3.223 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN B 68 12.092 3.147 0.222 1.00 0.00 H new ATOM 1641 N VAL B 69 11.813 7.466 -0.634 1.00 0.00 N ATOM 1642 CA VAL B 69 12.627 8.110 -1.649 1.00 0.00 C ATOM 1643 C VAL B 69 11.804 8.193 -2.940 1.00 0.00 C ATOM 1644 O VAL B 69 10.637 7.802 -2.938 1.00 0.00 O ATOM 1645 CB VAL B 69 13.959 7.340 -1.853 1.00 0.00 C ATOM 1646 CG1 VAL B 69 13.717 6.017 -2.549 1.00 0.00 C ATOM 1647 CG2 VAL B 69 14.996 8.174 -2.596 1.00 0.00 C ATOM 0 H VAL B 69 10.956 7.046 -0.994 1.00 0.00 H new ATOM 0 HA VAL B 69 12.899 9.118 -1.337 1.00 0.00 H new ATOM 0 HB VAL B 69 14.368 7.134 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.665 5.496 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.048 5.405 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.263 6.196 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL B 69 15.911 7.594 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.608 8.447 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.211 9.078 -2.027 1.00 0.00 H new ATOM 1657 N PHE B 70 12.380 8.695 -4.023 1.00 0.00 N ATOM 1658 CA PHE B 70 11.646 8.842 -5.273 1.00 0.00 C ATOM 1659 C PHE B 70 11.495 7.503 -5.991 1.00 0.00 C ATOM 1660 O PHE B 70 11.959 6.468 -5.513 1.00 0.00 O ATOM 1661 CB PHE B 70 12.344 9.851 -6.185 1.00 0.00 C ATOM 1662 CG PHE B 70 12.302 11.257 -5.661 1.00 0.00 C ATOM 1663 CD1 PHE B 70 11.214 12.072 -5.925 1.00 0.00 C ATOM 1664 CD2 PHE B 70 13.347 11.763 -4.906 1.00 0.00 C ATOM 1665 CE1 PHE B 70 11.169 13.366 -5.446 1.00 0.00 C ATOM 1666 CE2 PHE B 70 13.308 13.058 -4.425 1.00 0.00 C ATOM 1667 CZ PHE B 70 12.217 13.860 -4.695 1.00 0.00 C ATOM 0 H PHE B 70 13.350 9.007 -4.062 1.00 0.00 H new ATOM 0 HA PHE B 70 10.649 9.210 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.384 9.551 -6.317 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.877 9.824 -7.169 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.391 11.691 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.202 11.139 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.315 13.991 -5.659 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.130 13.442 -3.839 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.183 14.872 -4.319 1.00 0.00 H new ATOM 1677 N GLU B 71 10.823 7.529 -7.133 1.00 0.00 N ATOM 1678 CA GLU B 71 10.533 6.314 -7.877 1.00 0.00 C ATOM 1679 C GLU B 71 11.737 5.857 -8.699 1.00 0.00 C ATOM 1680 O GLU B 71 12.529 6.673 -9.174 1.00 0.00 O ATOM 1681 CB GLU B 71 9.324 6.524 -8.787 1.00 0.00 C ATOM 1682 CG GLU B 71 9.502 7.649 -9.798 1.00 0.00 C ATOM 1683 CD GLU B 71 8.319 7.795 -10.734 1.00 0.00 C ATOM 1684 OE1 GLU B 71 8.288 7.098 -11.770 1.00 0.00 O ATOM 1685 OE2 GLU B 71 7.418 8.610 -10.446 1.00 0.00 O1- ATOM 0 H GLU B 71 10.468 8.382 -7.565 1.00 0.00 H new ATOM 0 HA GLU B 71 10.305 5.531 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU B 71 9.119 5.597 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.450 6.737 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.655 8.588 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU B 71 10.402 7.464 -10.385 1.00 0.00 H new ATOM 1692 N GLY B 72 11.867 4.542 -8.846 1.00 0.00 N ATOM 1693 CA GLY B 72 12.970 3.967 -9.588 1.00 0.00 C ATOM 1694 C GLY B 72 14.270 4.075 -8.823 1.00 0.00 C ATOM 1695 O GLY B 72 15.355 4.010 -9.403 1.00 0.00 O ATOM 0 H GLY B 72 11.217 3.858 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY B 72 12.759 2.919 -9.802 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.068 4.475 -10.547 1.00 0.00 H new ATOM 1699 N GLU B 73 14.149 4.220 -7.513 1.00 0.00 N ATOM 1700 CA GLU B 73 15.293 4.423 -6.647 1.00 0.00 C ATOM 1701 C GLU B 73 15.644 3.150 -5.885 1.00 0.00 C ATOM 1702 O GLU B 73 14.763 2.394 -5.471 1.00 0.00 O ATOM 1703 CB GLU B 73 14.996 5.557 -5.671 1.00 0.00 C ATOM 1704 CG GLU B 73 15.045 6.934 -6.307 1.00 0.00 C ATOM 1705 CD GLU B 73 16.420 7.274 -6.834 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.254 7.785 -6.058 1.00 0.00 O1- ATOM 1707 OE2 GLU B 73 16.684 7.022 -8.027 1.00 0.00 O ATOM 0 H GLU B 73 13.255 4.200 -7.023 1.00 0.00 H new ATOM 0 HA GLU B 73 16.152 4.687 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.009 5.402 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU B 73 15.715 5.518 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.324 6.981 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.745 7.682 -5.573 1.00 0.00 H new ATOM 1714 N ARG B 74 16.935 2.924 -5.713 1.00 0.00 N ATOM 1715 CA ARG B 74 17.432 1.751 -5.008 1.00 0.00 C ATOM 1716 C ARG B 74 17.553 2.025 -3.513 1.00 0.00 C ATOM 1717 O ARG B 74 18.228 2.964 -3.093 1.00 0.00 O ATOM 1718 CB ARG B 74 18.787 1.334 -5.586 1.00 0.00 C ATOM 1719 CG ARG B 74 19.528 0.292 -4.760 1.00 0.00 C ATOM 1720 CD ARG B 74 18.846 -1.065 -4.813 1.00 0.00 C ATOM 1721 NE ARG B 74 19.531 -2.047 -3.975 1.00 0.00 N ATOM 1722 CZ ARG B 74 20.155 -3.130 -4.440 1.00 0.00 C ATOM 1723 NH1 ARG B 74 20.199 -3.376 -5.745 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 20.742 -3.970 -3.596 1.00 0.00 N ATOM 0 H ARG B 74 17.668 3.545 -6.056 1.00 0.00 H new ATOM 0 HA ARG B 74 16.720 0.937 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.634 0.942 -6.591 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.416 2.219 -5.681 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.550 0.199 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.590 0.627 -3.725 1.00 0.00 H new ATOM 0 HD2 ARG B 74 17.811 -0.965 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.821 -1.420 -5.843 1.00 0.00 H new ATOM 0 HE ARG B 74 19.532 -1.894 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG B 74 19.753 -2.734 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG B 74 20.679 -4.207 -6.091 1.00 0.00 H new ATOM 0 HH21 ARG B 74 20.715 -3.787 -2.593 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.220 -4.799 -3.951 1.00 0.00 H new ATOM 1738 N VAL B 75 16.881 1.201 -2.723 1.00 0.00 N ATOM 1739 CA VAL B 75 16.925 1.312 -1.270 1.00 0.00 C ATOM 1740 C VAL B 75 17.025 -0.067 -0.630 1.00 0.00 C ATOM 1741 O VAL B 75 16.862 -1.090 -1.304 1.00 0.00 O ATOM 1742 CB VAL B 75 15.681 2.032 -0.712 1.00 0.00 C ATOM 1743 CG1 VAL B 75 15.700 3.508 -1.074 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.411 1.369 -1.222 1.00 0.00 C ATOM 0 H VAL B 75 16.293 0.441 -3.066 1.00 0.00 H new ATOM 0 HA VAL B 75 17.809 1.901 -1.024 1.00 0.00 H new ATOM 0 HB VAL B 75 15.699 1.953 0.375 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.812 3.993 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL B 75 16.592 3.974 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL B 75 15.710 3.617 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.542 1.889 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.389 1.415 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.391 0.327 -0.902 1.00 0.00 H new ATOM 1754 N GLU B 76 17.283 -0.089 0.670 1.00 0.00 N ATOM 1755 CA GLU B 76 17.447 -1.336 1.403 1.00 0.00 C ATOM 1756 C GLU B 76 16.331 -1.496 2.432 1.00 0.00 C ATOM 1757 O GLU B 76 15.702 -0.517 2.836 1.00 0.00 O ATOM 1758 CB GLU B 76 18.816 -1.358 2.089 1.00 0.00 C ATOM 1759 CG GLU B 76 19.223 -2.731 2.596 1.00 0.00 C ATOM 1760 CD GLU B 76 20.570 -2.724 3.285 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.604 -2.747 2.584 1.00 0.00 O1- ATOM 1762 OE2 GLU B 76 20.600 -2.711 4.534 1.00 0.00 O ATOM 0 H GLU B 76 17.384 0.749 1.242 1.00 0.00 H new ATOM 0 HA GLU B 76 17.390 -2.170 0.703 1.00 0.00 H new ATOM 0 HB2 GLU B 76 19.570 -1.001 1.387 1.00 0.00 H new ATOM 0 HB3 GLU B 76 18.804 -0.660 2.926 1.00 0.00 H new ATOM 0 HG2 GLU B 76 18.466 -3.096 3.290 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.251 -3.429 1.759 1.00 0.00 H new ATOM 1769 N ARG B 77 16.086 -2.743 2.832 1.00 0.00 N ATOM 1770 CA ARG B 77 15.054 -3.075 3.808 1.00 0.00 C ATOM 1771 C ARG B 77 15.231 -2.289 5.103 1.00 0.00 C ATOM 1772 O ARG B 77 16.220 -2.467 5.820 1.00 0.00 O ATOM 1773 CB ARG B 77 15.097 -4.575 4.116 1.00 0.00 C ATOM 1774 CG ARG B 77 14.120 -5.005 5.198 1.00 0.00 C ATOM 1775 CD ARG B 77 14.327 -6.457 5.600 1.00 0.00 C ATOM 1776 NE ARG B 77 14.261 -7.365 4.457 1.00 0.00 N ATOM 1777 CZ ARG B 77 13.142 -7.951 4.033 1.00 0.00 C ATOM 1778 NH1 ARG B 77 11.987 -7.701 4.635 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 13.175 -8.784 3.000 1.00 0.00 N ATOM 0 H ARG B 77 16.601 -3.553 2.486 1.00 0.00 H new ATOM 0 HA ARG B 77 14.089 -2.807 3.376 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.882 -5.131 3.203 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.107 -4.845 4.423 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.241 -4.365 6.072 1.00 0.00 H new ATOM 0 HG3 ARG B 77 13.099 -4.868 4.841 1.00 0.00 H new ATOM 0 HD2 ARG B 77 15.296 -6.562 6.088 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.569 -6.741 6.331 1.00 0.00 H new ATOM 0 HE ARG B 77 15.125 -7.562 3.952 1.00 0.00 H new ATOM 0 HH11 ARG B 77 11.953 -7.058 5.426 1.00 0.00 H new ATOM 0 HH12 ARG B 77 11.133 -8.152 4.307 1.00 0.00 H new ATOM 0 HH21 ARG B 77 14.059 -8.977 2.529 1.00 0.00 H new ATOM 0 HH22 ARG B 77 12.317 -9.231 2.678 1.00 0.00 H new ATOM 1793 N GLY B 78 14.276 -1.411 5.381 1.00 0.00 N ATOM 1794 CA GLY B 78 14.265 -0.673 6.631 1.00 0.00 C ATOM 1795 C GLY B 78 15.175 0.534 6.614 1.00 0.00 C ATOM 1796 O GLY B 78 14.868 1.559 7.224 1.00 0.00 O ATOM 0 H GLY B 78 13.500 -1.195 4.755 1.00 0.00 H new ATOM 0 HA2 GLY B 78 13.247 -0.350 6.847 1.00 0.00 H new ATOM 0 HA3 GLY B 78 14.567 -1.337 7.441 1.00 0.00 H new ATOM 1800 N ASP B 79 16.291 0.427 5.915 1.00 0.00 N ATOM 1801 CA ASP B 79 17.256 1.509 5.879 1.00 0.00 C ATOM 1802 C ASP B 79 16.964 2.454 4.724 1.00 0.00 C ATOM 1803 O ASP B 79 17.218 2.127 3.564 1.00 0.00 O ATOM 1804 CB ASP B 79 18.665 0.935 5.728 1.00 0.00 C ATOM 1805 CG ASP B 79 19.731 2.009 5.710 1.00 0.00 C ATOM 1806 OD1 ASP B 79 19.969 2.630 6.766 1.00 0.00 O1- ATOM 1807 OD2 ASP B 79 20.334 2.239 4.642 1.00 0.00 O ATOM 0 H ASP B 79 16.550 -0.394 5.368 1.00 0.00 H new ATOM 0 HA ASP B 79 17.184 2.069 6.812 1.00 0.00 H new ATOM 0 HB2 ASP B 79 18.863 0.246 6.549 1.00 0.00 H new ATOM 0 HB3 ASP B 79 18.721 0.357 4.806 1.00 0.00 H new ATOM 1812 N VAL B 80 16.452 3.636 5.057 1.00 0.00 N ATOM 1813 CA VAL B 80 16.244 4.705 4.087 1.00 0.00 C ATOM 1814 C VAL B 80 16.277 6.056 4.794 1.00 0.00 C ATOM 1815 O VAL B 80 17.285 6.761 4.764 1.00 0.00 O ATOM 1816 CB VAL B 80 14.897 4.620 3.326 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.908 5.609 2.175 1.00 0.00 C ATOM 1818 CG2 VAL B 80 14.601 3.218 2.821 1.00 0.00 C ATOM 0 H VAL B 80 16.170 3.879 6.007 1.00 0.00 H new ATOM 0 HA VAL B 80 17.048 4.593 3.360 1.00 0.00 H new ATOM 0 HB VAL B 80 14.101 4.873 4.026 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.962 5.552 1.637 1.00 0.00 H new ATOM 0 HG12 VAL B 80 15.044 6.618 2.564 1.00 0.00 H new ATOM 0 HG13 VAL B 80 15.726 5.368 1.496 1.00 0.00 H new ATOM 0 HG21 VAL B 80 13.646 3.215 2.295 1.00 0.00 H new ATOM 0 HG22 VAL B 80 15.391 2.902 2.140 1.00 0.00 H new ATOM 0 HG23 VAL B 80 14.553 2.530 3.665 1.00 0.00 H new ATOM 1828 N ILE B 81 15.164 6.410 5.433 1.00 0.00 N ATOM 1829 CA ILE B 81 15.048 7.694 6.109 1.00 0.00 C ATOM 1830 C ILE B 81 14.766 7.510 7.599 1.00 0.00 C ATOM 1831 O ILE B 81 15.445 8.091 8.446 1.00 0.00 O ATOM 1832 CB ILE B 81 13.923 8.557 5.491 1.00 0.00 C ATOM 1833 CG1 ILE B 81 14.238 8.907 4.033 1.00 0.00 C ATOM 1834 CG2 ILE B 81 13.697 9.826 6.305 1.00 0.00 C ATOM 1835 CD1 ILE B 81 15.562 9.622 3.841 1.00 0.00 C ATOM 0 H ILE B 81 14.332 5.824 5.495 1.00 0.00 H new ATOM 0 HA ILE B 81 16.003 8.204 5.981 1.00 0.00 H new ATOM 0 HB ILE B 81 13.005 7.969 5.512 1.00 0.00 H new ATOM 0 HG12 ILE B 81 14.243 7.990 3.443 1.00 0.00 H new ATOM 0 HG13 ILE B 81 13.438 9.534 3.640 1.00 0.00 H new ATOM 0 HG21 ILE B 81 12.901 10.414 5.848 1.00 0.00 H new ATOM 0 HG22 ILE B 81 13.413 9.559 7.323 1.00 0.00 H new ATOM 0 HG23 ILE B 81 14.615 10.413 6.326 1.00 0.00 H new ATOM 0 HD11 ILE B 81 15.711 9.834 2.782 1.00 0.00 H new ATOM 0 HD12 ILE B 81 15.555 10.557 4.401 1.00 0.00 H new ATOM 0 HD13 ILE B 81 16.373 8.989 4.201 1.00 0.00 H new ATOM 1847 N SER B 82 13.771 6.693 7.910 1.00 0.00 N ATOM 1848 CA SER B 82 13.373 6.473 9.289 1.00 0.00 C ATOM 1849 C SER B 82 12.881 5.051 9.478 1.00 0.00 C ATOM 1850 O SER B 82 11.977 4.593 8.773 1.00 0.00 O ATOM 1851 CB SER B 82 12.283 7.469 9.692 1.00 0.00 C ATOM 1852 OG SER B 82 11.959 7.354 11.066 1.00 0.00 O ATOM 0 H SER B 82 13.225 6.172 7.224 1.00 0.00 H new ATOM 0 HA SER B 82 14.242 6.627 9.929 1.00 0.00 H new ATOM 0 HB2 SER B 82 12.619 8.484 9.480 1.00 0.00 H new ATOM 0 HB3 SER B 82 11.390 7.297 9.091 1.00 0.00 H new ATOM 0 HG SER B 82 11.262 8.004 11.293 1.00 0.00 H new ATOM 1858 N ASP B 83 13.485 4.363 10.428 1.00 0.00 N ATOM 1859 CA ASP B 83 13.127 2.989 10.721 1.00 0.00 C ATOM 1860 C ASP B 83 12.030 2.938 11.769 1.00 0.00 C ATOM 1861 O ASP B 83 11.969 3.780 12.670 1.00 0.00 O ATOM 1862 CB ASP B 83 14.348 2.189 11.188 1.00 0.00 C ATOM 1863 CG ASP B 83 14.930 2.705 12.488 1.00 0.00 C ATOM 1864 OD1 ASP B 83 15.722 3.670 12.447 1.00 0.00 O ATOM 1865 OD2 ASP B 83 14.606 2.146 13.556 1.00 0.00 O1- ATOM 0 H ASP B 83 14.231 4.737 11.014 1.00 0.00 H new ATOM 0 HA ASP B 83 12.755 2.535 9.803 1.00 0.00 H new ATOM 0 HB2 ASP B 83 14.065 1.144 11.312 1.00 0.00 H new ATOM 0 HB3 ASP B 83 15.115 2.222 10.414 1.00 0.00 H new ATOM 1870 N GLY B 84 11.151 1.968 11.620 1.00 0.00 N ATOM 1871 CA GLY B 84 10.072 1.775 12.559 1.00 0.00 C ATOM 1872 C GLY B 84 9.294 0.527 12.223 1.00 0.00 C ATOM 1873 O GLY B 84 8.080 0.474 12.496 1.00 0.00 O ATOM 1874 OXT GLY B 84 9.891 -0.399 11.640 1.00 0.00 O ATOM 0 H GLY B 84 11.166 1.298 10.851 1.00 0.00 H new ATOM 0 HA2 GLY B 84 10.472 1.700 13.570 1.00 0.00 H new ATOM 0 HA3 GLY B 84 9.408 2.640 12.542 1.00 0.00 H new TER 1878 GLY B 84