USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot -150:sc= -2.15! USER MOD Set 1.2: A 82 GLN : amide:sc= -2.87! C(o=-5!,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.787 (180deg=-0.0781!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.435 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0495 (180deg=-0.423) USER MOD Single : A 14 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.8!) USER MOD Single : A 16 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.014) USER MOD Single : A 19 ASN : amide:sc= -4.9! C(o=-4.9!,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.6!) USER MOD Single : A 30 ASN : amide:sc= -4.74! K(o=-4.7!,f=0.11) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -1.74! C(o=-1.7!,f=-4.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.67! K(o=-2.7!,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= -0.304 (180deg=-1.55!) USER MOD Single : A 54 LYS NZ :NH3+ -124:sc= -1.04 (180deg=-4.43!) USER MOD Single : A 55 ASN : amide:sc= -2.71! C(o=-2.7!,f=-14!) USER MOD Single : A 63 GLN : amide:sc= -0.0228 K(o=-0.023,f=-2!) USER MOD Single : A 66 SER OG : rot -174:sc= 0.734 USER MOD Single : A 67 TYR OH : rot 80:sc= -0.11 USER MOD Single : A 71 SER OG : rot -57:sc= 0.728 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc=-0.00918 K(o=-0.0092,f=-2.1!) USER MOD Single : A 84 GLN : amide:sc= -0.468 K(o=-0.47,f=-1.3) USER MOD Single : A 86 ASN : amide:sc= -2.17 K(o=-2.2,f=-6.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -65:sc= 0.66 USER MOD Single : A 90 SER OG : rot 180:sc= -0.46 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -15:sc= 1.06 USER MOD Single : A 104 HIS : no HD1:sc= -0.0495 X(o=-0.05,f=-0.2) USER MOD Single : A 105 HIS : no HD1:sc= -0.79 K(o=-0.79,f=-0.22) USER MOD Single : A 106 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-8.9!) USER MOD Single : A 107 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.26) USER MOD Single : A 108 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.66) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.933 11.498 -18.219 1.00 0.00 N ATOM 2 CA MET A 1 -11.973 12.134 -16.871 1.00 0.00 C ATOM 3 C MET A 1 -10.641 11.912 -16.155 1.00 0.00 C ATOM 4 O MET A 1 -10.036 10.860 -16.249 1.00 0.00 O ATOM 5 CB MET A 1 -13.117 11.528 -16.054 1.00 0.00 C ATOM 6 CG MET A 1 -14.444 11.760 -16.784 1.00 0.00 C ATOM 7 SD MET A 1 -14.619 10.542 -18.113 1.00 0.00 S ATOM 8 CE MET A 1 -16.415 10.657 -18.297 1.00 0.00 C ATOM 0 H1 MET A 1 -11.828 12.233 -18.947 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.127 10.843 -18.270 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.816 10.974 -18.382 1.00 0.00 H new ATOM 0 HA MET A 1 -12.140 13.206 -16.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.950 10.460 -15.911 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.150 11.981 -15.063 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.276 11.674 -16.085 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.475 12.769 -17.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.745 9.975 -19.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.895 10.388 -17.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.689 11.677 -18.565 1.00 0.00 H new ATOM 20 N GLU A 2 -10.174 12.909 -15.452 1.00 0.00 N ATOM 21 CA GLU A 2 -8.873 12.788 -14.739 1.00 0.00 C ATOM 22 C GLU A 2 -9.029 11.866 -13.521 1.00 0.00 C ATOM 23 O GLU A 2 -10.097 11.759 -12.950 1.00 0.00 O ATOM 24 CB GLU A 2 -8.419 14.181 -14.274 1.00 0.00 C ATOM 25 CG GLU A 2 -9.640 15.001 -13.848 1.00 0.00 C ATOM 26 CD GLU A 2 -9.184 16.224 -13.049 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.299 16.919 -13.519 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.730 16.444 -11.980 1.00 0.00 O ATOM 0 H GLU A 2 -10.643 13.808 -15.341 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.129 12.365 -15.414 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.721 14.089 -13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.889 14.690 -15.079 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.203 15.317 -14.726 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.309 14.388 -13.244 1.00 0.00 H new ATOM 35 N PRO A 3 -7.965 11.213 -13.119 1.00 0.00 N ATOM 36 CA PRO A 3 -7.983 10.293 -11.945 1.00 0.00 C ATOM 37 C PRO A 3 -8.198 11.042 -10.626 1.00 0.00 C ATOM 38 O PRO A 3 -7.799 12.180 -10.472 1.00 0.00 O ATOM 39 CB PRO A 3 -6.600 9.617 -11.985 1.00 0.00 C ATOM 40 CG PRO A 3 -5.723 10.575 -12.727 1.00 0.00 C ATOM 41 CD PRO A 3 -6.627 11.277 -13.737 1.00 0.00 C ATOM 0 HA PRO A 3 -8.806 9.580 -11.996 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.221 9.433 -10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.647 8.652 -12.490 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.267 11.294 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.910 10.051 -13.229 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.313 12.307 -13.906 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.609 10.776 -14.705 1.00 0.00 H new ATOM 49 N GLN A 4 -8.832 10.408 -9.682 1.00 0.00 N ATOM 50 CA GLN A 4 -9.088 11.070 -8.373 1.00 0.00 C ATOM 51 C GLN A 4 -7.832 11.007 -7.503 1.00 0.00 C ATOM 52 O GLN A 4 -7.333 9.942 -7.181 1.00 0.00 O ATOM 53 CB GLN A 4 -10.240 10.351 -7.668 1.00 0.00 C ATOM 54 CG GLN A 4 -11.535 10.589 -8.448 1.00 0.00 C ATOM 55 CD GLN A 4 -12.683 9.826 -7.784 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.511 9.240 -6.733 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.855 9.805 -8.358 1.00 0.00 N ATOM 0 H GLN A 4 -9.186 9.455 -9.760 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.351 12.115 -8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.032 9.283 -7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.344 10.719 -6.647 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.763 11.655 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.415 10.260 -9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.000 10.297 -9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.626 9.297 -7.925 1.00 0.00 H new ATOM 66 N LEU A 5 -7.311 12.147 -7.126 1.00 0.00 N ATOM 67 CA LEU A 5 -6.081 12.176 -6.285 1.00 0.00 C ATOM 68 C LEU A 5 -6.464 12.174 -4.815 1.00 0.00 C ATOM 69 O LEU A 5 -7.269 12.964 -4.371 1.00 0.00 O ATOM 70 CB LEU A 5 -5.284 13.448 -6.603 1.00 0.00 C ATOM 71 CG LEU A 5 -4.488 13.246 -7.902 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.351 12.220 -7.682 1.00 0.00 C ATOM 73 CD2 LEU A 5 -5.432 12.742 -9.004 1.00 0.00 C ATOM 0 H LEU A 5 -7.689 13.063 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.474 11.296 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.960 14.297 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.606 13.680 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.048 14.197 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.796 12.087 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.678 12.584 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.777 11.265 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.870 12.598 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.876 11.795 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.221 13.475 -9.171 1.00 0.00 H new ATOM 85 N THR A 6 -5.882 11.278 -4.060 1.00 0.00 N ATOM 86 CA THR A 6 -6.199 11.195 -2.595 1.00 0.00 C ATOM 87 C THR A 6 -4.905 11.212 -1.793 1.00 0.00 C ATOM 88 O THR A 6 -3.892 10.693 -2.220 1.00 0.00 O ATOM 89 CB THR A 6 -6.971 9.907 -2.319 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.154 9.898 -3.107 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.345 9.846 -0.840 1.00 0.00 C ATOM 0 H THR A 6 -5.199 10.597 -4.392 1.00 0.00 H new ATOM 0 HA THR A 6 -6.809 12.049 -2.300 1.00 0.00 H new ATOM 0 HB THR A 6 -6.353 9.045 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.797 9.266 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.896 8.927 -0.642 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.439 9.863 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.967 10.704 -0.586 1.00 0.00 H new ATOM 99 N LYS A 7 -4.924 11.824 -0.638 1.00 0.00 N ATOM 100 CA LYS A 7 -3.696 11.903 0.197 1.00 0.00 C ATOM 101 C LYS A 7 -3.701 10.804 1.263 1.00 0.00 C ATOM 102 O LYS A 7 -4.723 10.457 1.816 1.00 0.00 O ATOM 103 CB LYS A 7 -3.665 13.269 0.891 1.00 0.00 C ATOM 104 CG LYS A 7 -3.479 14.373 -0.153 1.00 0.00 C ATOM 105 CD LYS A 7 -3.432 15.738 0.537 1.00 0.00 C ATOM 106 CE LYS A 7 -3.166 16.828 -0.504 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.289 16.865 -1.485 1.00 0.00 N ATOM 0 H LYS A 7 -5.746 12.275 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.820 11.773 -0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.592 13.429 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.852 13.301 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.558 14.206 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.297 14.347 -0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.375 15.931 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.650 15.747 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.065 17.796 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.226 16.632 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.255 17.757 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.202 16.064 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.195 16.800 -0.978 1.00 0.00 H new ATOM 121 N ILE A 8 -2.561 10.255 1.544 1.00 0.00 N ATOM 122 CA ILE A 8 -2.471 9.173 2.566 1.00 0.00 C ATOM 123 C ILE A 8 -3.101 9.661 3.880 1.00 0.00 C ATOM 124 O ILE A 8 -3.765 8.923 4.580 1.00 0.00 O ATOM 125 CB ILE A 8 -0.993 8.835 2.809 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.418 8.136 1.574 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.860 7.916 4.026 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.109 8.086 1.673 1.00 0.00 C ATOM 0 H ILE A 8 -1.675 10.509 1.108 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.000 8.288 2.213 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.442 9.757 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.820 7.126 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.716 8.669 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.191 7.681 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.263 8.417 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.414 6.994 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.515 7.588 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.503 9.101 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.398 7.534 2.567 1.00 0.00 H new ATOM 140 N VAL A 9 -2.873 10.894 4.220 1.00 0.00 N ATOM 141 CA VAL A 9 -3.438 11.447 5.488 1.00 0.00 C ATOM 142 C VAL A 9 -4.967 11.534 5.385 1.00 0.00 C ATOM 143 O VAL A 9 -5.652 11.787 6.357 1.00 0.00 O ATOM 144 CB VAL A 9 -2.856 12.847 5.723 1.00 0.00 C ATOM 145 CG1 VAL A 9 -3.486 13.852 4.747 1.00 0.00 C ATOM 146 CG2 VAL A 9 -3.136 13.285 7.163 1.00 0.00 C ATOM 0 H VAL A 9 -2.316 11.551 3.674 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.177 10.793 6.320 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.780 12.816 5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.066 14.842 4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.276 13.545 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.564 13.883 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.722 14.280 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.212 13.307 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.674 12.580 7.854 1.00 0.00 H new ATOM 156 N ASP A 10 -5.502 11.344 4.208 1.00 0.00 N ATOM 157 CA ASP A 10 -6.982 11.421 4.020 1.00 0.00 C ATOM 158 C ASP A 10 -7.575 10.011 4.047 1.00 0.00 C ATOM 159 O ASP A 10 -8.749 9.814 3.803 1.00 0.00 O ATOM 160 CB ASP A 10 -7.282 12.080 2.672 1.00 0.00 C ATOM 161 CG ASP A 10 -6.854 13.550 2.712 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.558 14.033 3.793 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.823 14.164 1.659 1.00 0.00 O ATOM 0 H ASP A 10 -4.973 11.137 3.361 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.425 12.011 4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.752 11.558 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.346 12.007 2.449 1.00 0.00 H new ATOM 168 N ILE A 11 -6.766 9.028 4.345 1.00 0.00 N ATOM 169 CA ILE A 11 -7.267 7.628 4.395 1.00 0.00 C ATOM 170 C ILE A 11 -8.371 7.502 5.433 1.00 0.00 C ATOM 171 O ILE A 11 -9.522 7.336 5.096 1.00 0.00 O ATOM 172 CB ILE A 11 -6.113 6.681 4.766 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.202 6.481 3.553 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.664 5.320 5.219 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.954 5.704 3.973 1.00 0.00 C ATOM 0 H ILE A 11 -5.774 9.138 4.557 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.664 7.361 3.416 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.545 7.124 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.734 5.939 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.918 7.447 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.836 4.660 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.304 5.458 6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.243 4.875 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.306 5.562 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.418 6.263 4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.247 4.732 4.370 1.00 0.00 H new ATOM 187 N VAL A 12 -8.027 7.585 6.696 1.00 0.00 N ATOM 188 CA VAL A 12 -9.027 7.454 7.791 1.00 0.00 C ATOM 189 C VAL A 12 -10.036 6.348 7.474 1.00 0.00 C ATOM 190 O VAL A 12 -11.098 6.272 8.059 1.00 0.00 O ATOM 191 CB VAL A 12 -9.728 8.798 8.029 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.676 9.862 8.359 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.505 9.233 6.778 1.00 0.00 C ATOM 0 H VAL A 12 -7.071 7.742 7.016 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.509 7.173 8.708 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.428 8.686 8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.168 10.820 8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.131 9.569 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.979 9.955 7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.995 10.188 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.816 9.339 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.257 8.481 6.537 1.00 0.00 H new ATOM 203 N GLU A 13 -9.705 5.486 6.547 1.00 0.00 N ATOM 204 CA GLU A 13 -10.627 4.378 6.180 1.00 0.00 C ATOM 205 C GLU A 13 -9.908 3.413 5.223 1.00 0.00 C ATOM 206 O GLU A 13 -9.327 3.814 4.237 1.00 0.00 O ATOM 207 CB GLU A 13 -11.887 4.955 5.514 1.00 0.00 C ATOM 208 CG GLU A 13 -11.627 5.227 4.031 1.00 0.00 C ATOM 209 CD GLU A 13 -12.722 6.122 3.467 1.00 0.00 C ATOM 210 OE1 GLU A 13 -12.733 7.292 3.806 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.524 5.624 2.697 1.00 0.00 O ATOM 0 H GLU A 13 -8.828 5.505 6.027 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.924 3.832 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.716 4.256 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.181 5.878 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.655 5.704 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.594 4.287 3.480 1.00 0.00 H new ATOM 218 N ASN A 14 -9.960 2.149 5.499 1.00 0.00 N ATOM 219 CA ASN A 14 -9.285 1.155 4.605 1.00 0.00 C ATOM 220 C ASN A 14 -10.249 0.663 3.523 1.00 0.00 C ATOM 221 O ASN A 14 -11.442 0.885 3.585 1.00 0.00 O ATOM 222 CB ASN A 14 -8.804 -0.032 5.436 1.00 0.00 C ATOM 223 CG ASN A 14 -10.005 -0.796 5.999 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.082 -0.250 6.131 1.00 0.00 O ATOM 225 ND2 ASN A 14 -9.864 -2.052 6.329 1.00 0.00 N ATOM 0 H ASN A 14 -10.440 1.750 6.306 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.435 1.638 4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.196 -0.695 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.170 0.317 6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.658 -2.575 6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.959 -2.510 6.218 1.00 0.00 H new ATOM 232 N GLY A 15 -9.727 -0.009 2.526 1.00 0.00 N ATOM 233 CA GLY A 15 -10.588 -0.530 1.431 1.00 0.00 C ATOM 234 C GLY A 15 -11.039 0.627 0.547 1.00 0.00 C ATOM 235 O GLY A 15 -12.053 0.552 -0.115 1.00 0.00 O ATOM 0 H GLY A 15 -8.733 -0.218 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.039 -1.262 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.455 -1.043 1.848 1.00 0.00 H new ATOM 239 N GLN A 16 -10.302 1.704 0.544 1.00 0.00 N ATOM 240 CA GLN A 16 -10.696 2.882 -0.286 1.00 0.00 C ATOM 241 C GLN A 16 -9.977 2.841 -1.634 1.00 0.00 C ATOM 242 O GLN A 16 -8.796 2.561 -1.716 1.00 0.00 O ATOM 243 CB GLN A 16 -10.319 4.168 0.450 1.00 0.00 C ATOM 244 CG GLN A 16 -10.909 5.368 -0.291 1.00 0.00 C ATOM 245 CD GLN A 16 -10.537 6.666 0.432 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.722 7.740 -0.101 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.021 6.612 1.632 1.00 0.00 N ATOM 0 H GLN A 16 -9.443 1.821 1.081 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.772 2.854 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.694 4.138 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.235 4.261 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.536 5.393 -1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.993 5.273 -0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.865 5.709 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.774 7.473 2.120 1.00 0.00 H new ATOM 256 N TRP A 17 -10.692 3.126 -2.697 1.00 0.00 N ATOM 257 CA TRP A 17 -10.076 3.118 -4.058 1.00 0.00 C ATOM 258 C TRP A 17 -9.695 4.551 -4.441 1.00 0.00 C ATOM 259 O TRP A 17 -10.508 5.456 -4.396 1.00 0.00 O ATOM 260 CB TRP A 17 -11.088 2.565 -5.060 1.00 0.00 C ATOM 261 CG TRP A 17 -11.307 1.113 -4.784 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.341 0.601 -4.077 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.495 -0.023 -5.200 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.214 -0.777 -4.032 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.091 -1.209 -4.710 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.309 -0.138 -5.947 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.532 -2.463 -4.955 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.743 -1.398 -6.196 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.353 -2.559 -5.699 1.00 0.00 C ATOM 0 H TRP A 17 -11.683 3.365 -2.677 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.184 2.492 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.030 3.109 -4.982 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.723 2.703 -6.078 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.136 1.174 -3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.869 -1.397 -3.556 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.830 0.750 -6.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.007 -3.354 -4.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.833 -1.474 -6.773 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.912 -3.526 -5.891 1.00 0.00 H new ATOM 280 N ALA A 18 -8.467 4.757 -4.832 1.00 0.00 N ATOM 281 CA ALA A 18 -8.035 6.126 -5.238 1.00 0.00 C ATOM 282 C ALA A 18 -6.738 6.048 -6.042 1.00 0.00 C ATOM 283 O ALA A 18 -6.284 4.983 -6.415 1.00 0.00 O ATOM 284 CB ALA A 18 -7.815 6.980 -3.995 1.00 0.00 C ATOM 0 H ALA A 18 -7.745 4.039 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.811 6.576 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.499 7.980 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.745 7.046 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.044 6.526 -3.373 1.00 0.00 H new ATOM 290 N ASN A 19 -6.125 7.181 -6.291 1.00 0.00 N ATOM 291 CA ASN A 19 -4.839 7.194 -7.053 1.00 0.00 C ATOM 292 C ASN A 19 -3.895 8.227 -6.442 1.00 0.00 C ATOM 293 O ASN A 19 -4.299 9.320 -6.093 1.00 0.00 O ATOM 294 CB ASN A 19 -5.119 7.558 -8.507 1.00 0.00 C ATOM 295 CG ASN A 19 -6.241 6.668 -9.043 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.313 5.502 -8.717 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.132 7.177 -9.845 1.00 0.00 N ATOM 0 H ASN A 19 -6.462 8.098 -5.998 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.376 6.208 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.404 8.607 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.218 7.428 -9.107 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.891 6.595 -10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.071 8.158 -10.119 1.00 0.00 H new ATOM 304 N LEU A 20 -2.636 7.898 -6.309 1.00 0.00 N ATOM 305 CA LEU A 20 -1.674 8.871 -5.722 1.00 0.00 C ATOM 306 C LEU A 20 -0.259 8.595 -6.232 1.00 0.00 C ATOM 307 O LEU A 20 0.123 7.468 -6.473 1.00 0.00 O ATOM 308 CB LEU A 20 -1.691 8.756 -4.193 1.00 0.00 C ATOM 309 CG LEU A 20 -0.745 9.804 -3.582 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.217 11.223 -3.956 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.730 9.647 -2.060 1.00 0.00 C ATOM 0 H LEU A 20 -2.236 7.000 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.971 9.877 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.704 8.905 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.384 7.755 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 20 0.261 9.653 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.541 11.958 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.219 11.332 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.225 11.384 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.060 10.388 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.737 9.793 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.382 8.647 -1.801 1.00 0.00 H new ATOM 323 N LYS A 21 0.525 9.630 -6.375 1.00 0.00 N ATOM 324 CA LYS A 21 1.936 9.465 -6.847 1.00 0.00 C ATOM 325 C LYS A 21 2.889 9.543 -5.644 1.00 0.00 C ATOM 326 O LYS A 21 2.695 10.317 -4.730 1.00 0.00 O ATOM 327 CB LYS A 21 2.278 10.579 -7.838 1.00 0.00 C ATOM 328 CG LYS A 21 1.930 11.935 -7.222 1.00 0.00 C ATOM 329 CD LYS A 21 2.396 13.065 -8.145 1.00 0.00 C ATOM 330 CE LYS A 21 1.642 12.998 -9.477 1.00 0.00 C ATOM 331 NZ LYS A 21 1.706 14.325 -10.151 1.00 0.00 N ATOM 0 H LYS A 21 0.248 10.593 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 21 2.044 8.497 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.338 10.543 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.725 10.437 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.854 12.006 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.405 12.033 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.223 14.030 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.469 12.983 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.080 12.232 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.603 12.715 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.194 14.280 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.269 15.045 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.699 14.577 -10.328 1.00 0.00 H new ATOM 345 N ALA A 22 3.906 8.729 -5.637 1.00 0.00 N ATOM 346 CA ALA A 22 4.862 8.747 -4.484 1.00 0.00 C ATOM 347 C ALA A 22 6.253 8.300 -4.927 1.00 0.00 C ATOM 348 O ALA A 22 6.429 7.683 -5.957 1.00 0.00 O ATOM 349 CB ALA A 22 4.355 7.819 -3.381 1.00 0.00 C ATOM 0 H ALA A 22 4.120 8.055 -6.372 1.00 0.00 H new ATOM 0 HA ALA A 22 4.928 9.767 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.053 7.834 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.375 8.157 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.275 6.803 -3.768 1.00 0.00 H new ATOM 355 N LYS A 23 7.245 8.618 -4.136 1.00 0.00 N ATOM 356 CA LYS A 23 8.653 8.232 -4.473 1.00 0.00 C ATOM 357 C LYS A 23 9.083 7.050 -3.606 1.00 0.00 C ATOM 358 O LYS A 23 8.633 6.888 -2.493 1.00 0.00 O ATOM 359 CB LYS A 23 9.569 9.427 -4.219 1.00 0.00 C ATOM 360 CG LYS A 23 11.005 9.082 -4.619 1.00 0.00 C ATOM 361 CD LYS A 23 11.908 10.290 -4.350 1.00 0.00 C ATOM 362 CE LYS A 23 13.343 9.959 -4.760 1.00 0.00 C ATOM 363 NZ LYS A 23 14.221 11.134 -4.494 1.00 0.00 N ATOM 0 H LYS A 23 7.141 9.134 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 23 8.717 7.941 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.222 10.289 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.533 9.705 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.355 8.218 -4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.046 8.810 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.550 11.156 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.873 10.555 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.700 9.092 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.379 9.697 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.197 10.908 -4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.884 11.951 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.195 11.364 -3.480 1.00 0.00 H new ATOM 377 N VAL A 24 9.940 6.209 -4.120 1.00 0.00 N ATOM 378 CA VAL A 24 10.390 5.019 -3.335 1.00 0.00 C ATOM 379 C VAL A 24 11.594 5.377 -2.461 1.00 0.00 C ATOM 380 O VAL A 24 12.729 5.339 -2.899 1.00 0.00 O ATOM 381 CB VAL A 24 10.775 3.910 -4.313 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.260 2.684 -3.538 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.551 3.532 -5.149 1.00 0.00 C ATOM 0 H VAL A 24 10.349 6.293 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 24 9.582 4.686 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 24 11.574 4.261 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.534 1.895 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.129 2.953 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.464 2.328 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.819 2.741 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.756 3.181 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.205 4.405 -5.703 1.00 0.00 H new ATOM 393 N ILE A 25 11.351 5.721 -1.226 1.00 0.00 N ATOM 394 CA ILE A 25 12.466 6.079 -0.309 1.00 0.00 C ATOM 395 C ILE A 25 13.264 4.819 0.034 1.00 0.00 C ATOM 396 O ILE A 25 14.455 4.874 0.264 1.00 0.00 O ATOM 397 CB ILE A 25 11.897 6.670 0.985 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.927 7.811 0.658 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.042 7.217 1.839 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.213 8.278 1.938 1.00 0.00 C ATOM 0 H ILE A 25 10.420 5.769 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 25 13.112 6.810 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 25 11.366 5.889 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.470 8.643 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.194 7.477 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.640 7.638 2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.733 6.410 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.570 7.993 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.526 9.089 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.655 7.446 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.951 8.631 2.658 1.00 0.00 H new ATOM 412 N GLN A 26 12.620 3.680 0.075 1.00 0.00 N ATOM 413 CA GLN A 26 13.350 2.417 0.404 1.00 0.00 C ATOM 414 C GLN A 26 12.705 1.245 -0.334 1.00 0.00 C ATOM 415 O GLN A 26 11.508 1.049 -0.277 1.00 0.00 O ATOM 416 CB GLN A 26 13.293 2.160 1.915 1.00 0.00 C ATOM 417 CG GLN A 26 14.187 3.166 2.647 1.00 0.00 C ATOM 418 CD GLN A 26 14.169 2.873 4.149 1.00 0.00 C ATOM 419 OE1 GLN A 26 13.136 2.948 4.781 1.00 0.00 O ATOM 420 NE2 GLN A 26 15.280 2.546 4.750 1.00 0.00 N ATOM 0 H GLN A 26 11.622 3.570 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 26 14.390 2.516 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.266 2.247 2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.620 1.143 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.207 3.105 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.837 4.181 2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.148 2.483 4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.280 2.353 5.752 1.00 0.00 H new ATOM 429 N LEU A 27 13.500 0.461 -1.025 1.00 0.00 N ATOM 430 CA LEU A 27 12.957 -0.707 -1.777 1.00 0.00 C ATOM 431 C LEU A 27 13.416 -2.003 -1.115 1.00 0.00 C ATOM 432 O LEU A 27 14.507 -2.089 -0.583 1.00 0.00 O ATOM 433 CB LEU A 27 13.465 -0.661 -3.221 1.00 0.00 C ATOM 434 CG LEU A 27 12.916 -1.865 -3.995 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.375 -1.827 -4.010 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.448 -1.826 -5.428 1.00 0.00 C ATOM 0 H LEU A 27 14.510 0.585 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 27 11.868 -0.667 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.150 0.266 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.555 -0.673 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 27 13.239 -2.785 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.995 -2.687 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.000 -1.859 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.038 -0.909 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.061 -2.680 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.126 -0.903 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.537 -1.867 -5.413 1.00 0.00 H new ATOM 448 N TRP A 28 12.589 -3.018 -1.156 1.00 0.00 N ATOM 449 CA TRP A 28 12.965 -4.323 -0.546 1.00 0.00 C ATOM 450 C TRP A 28 12.437 -5.474 -1.414 1.00 0.00 C ATOM 451 O TRP A 28 11.247 -5.700 -1.515 1.00 0.00 O ATOM 452 CB TRP A 28 12.361 -4.415 0.849 1.00 0.00 C ATOM 453 CG TRP A 28 12.953 -5.581 1.569 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.319 -6.751 1.799 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.282 -5.709 2.151 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.175 -7.593 2.488 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.396 -6.996 2.728 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.390 -4.844 2.235 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.565 -7.411 3.366 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.569 -5.259 2.877 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.656 -6.540 3.441 1.00 0.00 C ATOM 0 H TRP A 28 11.666 -2.995 -1.589 1.00 0.00 H new ATOM 0 HA TRP A 28 14.051 -4.396 -0.481 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.554 -3.496 1.402 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.279 -4.526 0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.311 -6.990 1.495 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.933 -8.539 2.782 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.333 -3.856 1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.627 -8.398 3.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.413 -4.588 2.936 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.565 -6.853 3.933 1.00 0.00 H new ATOM 472 N GLU A 29 13.325 -6.193 -2.041 1.00 0.00 N ATOM 473 CA GLU A 29 12.897 -7.333 -2.906 1.00 0.00 C ATOM 474 C GLU A 29 12.361 -8.466 -2.027 1.00 0.00 C ATOM 475 O GLU A 29 13.042 -8.946 -1.143 1.00 0.00 O ATOM 476 CB GLU A 29 14.093 -7.837 -3.717 1.00 0.00 C ATOM 477 CG GLU A 29 14.501 -6.778 -4.744 1.00 0.00 C ATOM 478 CD GLU A 29 15.741 -7.252 -5.506 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.192 -8.354 -5.237 1.00 0.00 O ATOM 480 OE2 GLU A 29 16.217 -6.506 -6.346 1.00 0.00 O ATOM 0 H GLU A 29 14.333 -6.042 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 29 12.114 -6.999 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.929 -8.055 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.836 -8.768 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.682 -6.597 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.709 -5.832 -4.243 1.00 0.00 H new ATOM 487 N ASN A 30 11.144 -8.899 -2.267 1.00 0.00 N ATOM 488 CA ASN A 30 10.554 -10.007 -1.451 1.00 0.00 C ATOM 489 C ASN A 30 10.573 -11.298 -2.265 1.00 0.00 C ATOM 490 O ASN A 30 10.484 -11.278 -3.476 1.00 0.00 O ATOM 491 CB ASN A 30 9.107 -9.650 -1.092 1.00 0.00 C ATOM 492 CG ASN A 30 8.533 -10.703 -0.141 1.00 0.00 C ATOM 493 OD1 ASN A 30 8.645 -10.579 1.061 1.00 0.00 O ATOM 494 ND2 ASN A 30 7.920 -11.743 -0.635 1.00 0.00 N ATOM 0 H ASN A 30 10.533 -8.530 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 30 11.135 -10.144 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.071 -8.666 -0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.501 -9.595 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.535 -12.452 -0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.826 -11.847 -1.645 1.00 0.00 H new ATOM 501 N THR A 31 10.690 -12.422 -1.608 1.00 0.00 N ATOM 502 CA THR A 31 10.711 -13.729 -2.339 1.00 0.00 C ATOM 503 C THR A 31 9.895 -14.752 -1.548 1.00 0.00 C ATOM 504 O THR A 31 10.369 -15.820 -1.217 1.00 0.00 O ATOM 505 CB THR A 31 12.154 -14.222 -2.484 1.00 0.00 C ATOM 506 OG1 THR A 31 12.977 -13.147 -2.917 1.00 0.00 O ATOM 507 CG2 THR A 31 12.198 -15.349 -3.517 1.00 0.00 C ATOM 0 H THR A 31 10.772 -12.494 -0.594 1.00 0.00 H new ATOM 0 HA THR A 31 10.281 -13.600 -3.332 1.00 0.00 H new ATOM 0 HB THR A 31 12.516 -14.592 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.901 -13.459 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 31 13.223 -15.704 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.562 -16.170 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.840 -14.977 -4.477 1.00 0.00 H new ATOM 515 N HIS A 32 8.663 -14.432 -1.252 1.00 0.00 N ATOM 516 CA HIS A 32 7.783 -15.368 -0.492 1.00 0.00 C ATOM 517 C HIS A 32 6.782 -16.010 -1.455 1.00 0.00 C ATOM 518 O HIS A 32 5.848 -16.659 -1.038 1.00 0.00 O ATOM 519 CB HIS A 32 7.046 -14.582 0.593 1.00 0.00 C ATOM 520 CG HIS A 32 6.381 -15.534 1.544 1.00 0.00 C ATOM 521 ND1 HIS A 32 5.183 -16.162 1.243 1.00 0.00 N ATOM 522 CD2 HIS A 32 6.731 -15.972 2.796 1.00 0.00 C ATOM 523 CE1 HIS A 32 4.858 -16.936 2.293 1.00 0.00 C ATOM 524 NE2 HIS A 32 5.767 -16.858 3.268 1.00 0.00 N ATOM 0 H HIS A 32 8.223 -13.548 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 32 8.378 -16.153 -0.025 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.746 -13.944 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.302 -13.927 0.139 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.646 -16.056 0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.619 -15.675 3.334 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.969 -17.547 2.342 1.00 0.00 H new ATOM 532 N GLU A 33 6.989 -15.831 -2.742 1.00 0.00 N ATOM 533 CA GLU A 33 6.080 -16.427 -3.775 1.00 0.00 C ATOM 534 C GLU A 33 4.692 -15.784 -3.688 1.00 0.00 C ATOM 535 O GLU A 33 4.035 -15.573 -4.687 1.00 0.00 O ATOM 536 CB GLU A 33 5.965 -17.942 -3.565 1.00 0.00 C ATOM 537 CG GLU A 33 5.267 -18.571 -4.770 1.00 0.00 C ATOM 538 CD GLU A 33 5.225 -20.090 -4.596 1.00 0.00 C ATOM 539 OE1 GLU A 33 5.510 -20.551 -3.502 1.00 0.00 O ATOM 540 OE2 GLU A 33 4.907 -20.768 -5.559 1.00 0.00 O ATOM 0 H GLU A 33 7.763 -15.288 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 33 6.499 -16.236 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.955 -18.378 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.403 -18.152 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.255 -18.177 -4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.797 -18.313 -5.687 1.00 0.00 H new ATOM 547 N SER A 34 4.244 -15.463 -2.505 1.00 0.00 N ATOM 548 CA SER A 34 2.909 -14.824 -2.358 1.00 0.00 C ATOM 549 C SER A 34 3.064 -13.319 -2.522 1.00 0.00 C ATOM 550 O SER A 34 2.250 -12.670 -3.144 1.00 0.00 O ATOM 551 CB SER A 34 2.357 -15.122 -0.965 1.00 0.00 C ATOM 552 OG SER A 34 2.065 -16.509 -0.859 1.00 0.00 O ATOM 0 H SER A 34 4.748 -15.617 -1.632 1.00 0.00 H new ATOM 0 HA SER A 34 2.226 -15.214 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.083 -14.833 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.456 -14.535 -0.786 1.00 0.00 H new ATOM 0 HG SER A 34 1.712 -16.702 0.035 1.00 0.00 H new ATOM 558 N ILE A 35 4.110 -12.761 -1.966 1.00 0.00 N ATOM 559 CA ILE A 35 4.338 -11.289 -2.073 1.00 0.00 C ATOM 560 C ILE A 35 5.461 -11.016 -3.071 1.00 0.00 C ATOM 561 O ILE A 35 6.465 -11.699 -3.104 1.00 0.00 O ATOM 562 CB ILE A 35 4.724 -10.729 -0.704 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.544 -10.892 0.259 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.065 -9.245 -0.851 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.007 -10.600 1.687 1.00 0.00 C ATOM 0 H ILE A 35 4.821 -13.267 -1.438 1.00 0.00 H new ATOM 0 HA ILE A 35 3.423 -10.806 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 35 5.588 -11.266 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.738 -10.213 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.145 -11.904 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.342 -8.837 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.899 -9.130 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.198 -8.709 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.168 -10.716 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.799 -11.296 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.385 -9.579 1.745 1.00 0.00 H new ATOM 577 N SER A 36 5.285 -10.015 -3.888 1.00 0.00 N ATOM 578 CA SER A 36 6.325 -9.670 -4.897 1.00 0.00 C ATOM 579 C SER A 36 7.405 -8.793 -4.256 1.00 0.00 C ATOM 580 O SER A 36 8.582 -9.110 -4.276 1.00 0.00 O ATOM 581 CB SER A 36 5.662 -8.900 -6.040 1.00 0.00 C ATOM 582 OG SER A 36 6.537 -8.875 -7.158 1.00 0.00 O ATOM 0 H SER A 36 4.459 -9.417 -3.900 1.00 0.00 H new ATOM 0 HA SER A 36 6.786 -10.583 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.718 -9.372 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.430 -7.883 -5.723 1.00 0.00 H new ATOM 0 HG SER A 36 6.114 -8.384 -7.893 1.00 0.00 H new ATOM 588 N GLN A 37 7.016 -7.681 -3.696 1.00 0.00 N ATOM 589 CA GLN A 37 8.019 -6.777 -3.071 1.00 0.00 C ATOM 590 C GLN A 37 7.344 -5.847 -2.061 1.00 0.00 C ATOM 591 O GLN A 37 6.146 -5.653 -2.073 1.00 0.00 O ATOM 592 CB GLN A 37 8.689 -5.942 -4.161 1.00 0.00 C ATOM 593 CG GLN A 37 7.616 -5.258 -5.010 1.00 0.00 C ATOM 594 CD GLN A 37 8.282 -4.463 -6.135 1.00 0.00 C ATOM 595 OE1 GLN A 37 7.778 -4.413 -7.239 1.00 0.00 O ATOM 596 NE2 GLN A 37 9.404 -3.840 -5.900 1.00 0.00 N ATOM 0 H GLN A 37 6.049 -7.361 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 37 8.764 -7.379 -2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.343 -5.195 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.314 -6.577 -4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.939 -6.003 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.014 -4.594 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.826 -3.883 -4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.859 -3.310 -6.644 1.00 0.00 H new ATOM 605 N VAL A 38 8.128 -5.266 -1.196 1.00 0.00 N ATOM 606 CA VAL A 38 7.574 -4.324 -0.174 1.00 0.00 C ATOM 607 C VAL A 38 8.527 -3.143 -0.012 1.00 0.00 C ATOM 608 O VAL A 38 9.693 -3.220 -0.355 1.00 0.00 O ATOM 609 CB VAL A 38 7.418 -5.047 1.164 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.437 -6.208 1.004 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.778 -5.581 1.624 1.00 0.00 C ATOM 0 H VAL A 38 9.138 -5.402 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 38 6.598 -3.965 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 38 7.036 -4.350 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.325 -6.724 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.468 -5.824 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.817 -6.905 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.663 -6.096 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.166 -6.277 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.474 -4.751 1.741 1.00 0.00 H new ATOM 621 N GLY A 39 8.046 -2.047 0.506 1.00 0.00 N ATOM 622 CA GLY A 39 8.942 -0.872 0.686 1.00 0.00 C ATOM 623 C GLY A 39 8.172 0.282 1.324 1.00 0.00 C ATOM 624 O GLY A 39 7.160 0.087 1.973 1.00 0.00 O ATOM 0 H GLY A 39 7.081 -1.915 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.790 -1.145 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.345 -0.561 -0.278 1.00 0.00 H new ATOM 628 N LEU A 40 8.660 1.485 1.144 1.00 0.00 N ATOM 629 CA LEU A 40 7.995 2.690 1.734 1.00 0.00 C ATOM 630 C LEU A 40 7.713 3.712 0.646 1.00 0.00 C ATOM 631 O LEU A 40 8.434 3.803 -0.326 1.00 0.00 O ATOM 632 CB LEU A 40 8.928 3.310 2.774 1.00 0.00 C ATOM 633 CG LEU A 40 8.920 2.455 4.061 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.246 2.632 4.803 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.769 2.907 4.971 1.00 0.00 C ATOM 0 H LEU A 40 9.503 1.686 0.606 1.00 0.00 H new ATOM 0 HA LEU A 40 7.055 2.394 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.940 3.374 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.610 4.328 3.001 1.00 0.00 H new ATOM 0 HG LEU A 40 8.787 1.406 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.239 2.028 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.067 2.313 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.378 3.681 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.764 2.303 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.904 3.956 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.821 2.783 4.448 1.00 0.00 H new ATOM 647 N LEU A 41 6.670 4.487 0.808 1.00 0.00 N ATOM 648 CA LEU A 41 6.327 5.521 -0.214 1.00 0.00 C ATOM 649 C LEU A 41 6.596 6.904 0.365 1.00 0.00 C ATOM 650 O LEU A 41 6.098 7.253 1.418 1.00 0.00 O ATOM 651 CB LEU A 41 4.848 5.399 -0.578 1.00 0.00 C ATOM 652 CG LEU A 41 4.525 3.945 -0.926 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.080 3.844 -1.423 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.485 3.442 -2.017 1.00 0.00 C ATOM 0 H LEU A 41 6.039 4.447 1.608 1.00 0.00 H new ATOM 0 HA LEU A 41 6.934 5.374 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.229 5.730 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.616 6.046 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 41 4.644 3.329 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.852 2.807 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.402 4.188 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.956 4.464 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.249 2.406 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.376 4.058 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.511 3.505 -1.656 1.00 0.00 H new ATOM 666 N GLY A 42 7.395 7.683 -0.318 1.00 0.00 N ATOM 667 CA GLY A 42 7.736 9.050 0.164 1.00 0.00 C ATOM 668 C GLY A 42 6.766 10.073 -0.417 1.00 0.00 C ATOM 669 O GLY A 42 6.965 10.576 -1.504 1.00 0.00 O ATOM 0 H GLY A 42 7.831 7.423 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.697 9.079 1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.756 9.301 -0.125 1.00 0.00 H new ATOM 673 N ASP A 43 5.723 10.397 0.306 1.00 0.00 N ATOM 674 CA ASP A 43 4.737 11.403 -0.191 1.00 0.00 C ATOM 675 C ASP A 43 4.988 12.748 0.492 1.00 0.00 C ATOM 676 O ASP A 43 5.604 12.825 1.538 1.00 0.00 O ATOM 677 CB ASP A 43 3.320 10.922 0.119 1.00 0.00 C ATOM 678 CG ASP A 43 2.957 9.775 -0.826 1.00 0.00 C ATOM 679 OD1 ASP A 43 2.633 10.056 -1.968 1.00 0.00 O ATOM 680 OD2 ASP A 43 3.015 8.636 -0.395 1.00 0.00 O ATOM 0 H ASP A 43 5.512 10.005 1.224 1.00 0.00 H new ATOM 0 HA ASP A 43 4.850 11.522 -1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.255 10.589 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.612 11.742 0.003 1.00 0.00 H new ATOM 685 N GLU A 44 4.505 13.802 -0.099 1.00 0.00 N ATOM 686 CA GLU A 44 4.689 15.159 0.485 1.00 0.00 C ATOM 687 C GLU A 44 3.866 15.288 1.768 1.00 0.00 C ATOM 688 O GLU A 44 4.096 16.166 2.575 1.00 0.00 O ATOM 689 CB GLU A 44 4.221 16.200 -0.531 1.00 0.00 C ATOM 690 CG GLU A 44 2.757 15.932 -0.894 1.00 0.00 C ATOM 691 CD GLU A 44 2.309 16.912 -1.979 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.758 18.048 -1.947 1.00 0.00 O ATOM 693 OE2 GLU A 44 1.524 16.514 -2.823 1.00 0.00 O ATOM 0 H GLU A 44 3.983 13.781 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 44 5.741 15.318 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.327 17.203 -0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.843 16.157 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.641 14.907 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.127 16.039 -0.011 1.00 0.00 H new ATOM 700 N THR A 45 2.910 14.421 1.965 1.00 0.00 N ATOM 701 CA THR A 45 2.070 14.492 3.195 1.00 0.00 C ATOM 702 C THR A 45 2.681 13.601 4.274 1.00 0.00 C ATOM 703 O THR A 45 2.284 13.639 5.421 1.00 0.00 O ATOM 704 CB THR A 45 0.653 14.010 2.866 1.00 0.00 C ATOM 705 OG1 THR A 45 0.623 12.590 2.873 1.00 0.00 O ATOM 706 CG2 THR A 45 0.247 14.527 1.483 1.00 0.00 C ATOM 0 H THR A 45 2.674 13.663 1.324 1.00 0.00 H new ATOM 0 HA THR A 45 2.028 15.519 3.557 1.00 0.00 H new ATOM 0 HB THR A 45 -0.044 14.390 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.283 12.281 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.761 14.185 1.248 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.270 15.617 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.943 14.148 0.734 1.00 0.00 H new ATOM 714 N GLY A 46 3.661 12.805 3.922 1.00 0.00 N ATOM 715 CA GLY A 46 4.305 11.925 4.941 1.00 0.00 C ATOM 716 C GLY A 46 4.857 10.666 4.272 1.00 0.00 C ATOM 717 O GLY A 46 5.272 10.687 3.130 1.00 0.00 O ATOM 0 H GLY A 46 4.040 12.728 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.110 12.463 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.580 11.651 5.707 1.00 0.00 H new ATOM 721 N ILE A 47 4.861 9.567 4.986 1.00 0.00 N ATOM 722 CA ILE A 47 5.381 8.287 4.413 1.00 0.00 C ATOM 723 C ILE A 47 4.473 7.128 4.809 1.00 0.00 C ATOM 724 O ILE A 47 3.719 7.211 5.758 1.00 0.00 O ATOM 725 CB ILE A 47 6.801 8.033 4.934 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.790 7.921 6.466 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.712 9.193 4.519 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.192 7.556 6.958 1.00 0.00 C ATOM 0 H ILE A 47 4.524 9.502 5.947 1.00 0.00 H new ATOM 0 HA ILE A 47 5.400 8.364 3.326 1.00 0.00 H new ATOM 0 HB ILE A 47 7.172 7.100 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.471 8.865 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.073 7.163 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.721 9.013 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.732 9.269 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.331 10.123 4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.187 7.476 8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.492 6.602 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.897 8.330 6.655 1.00 0.00 H new ATOM 740 N ILE A 48 4.552 6.040 4.094 1.00 0.00 N ATOM 741 CA ILE A 48 3.706 4.865 4.438 1.00 0.00 C ATOM 742 C ILE A 48 4.264 3.606 3.768 1.00 0.00 C ATOM 743 O ILE A 48 4.991 3.672 2.797 1.00 0.00 O ATOM 744 CB ILE A 48 2.270 5.108 3.971 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.386 3.943 4.421 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.231 5.219 2.445 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.084 4.320 4.237 1.00 0.00 C ATOM 0 H ILE A 48 5.165 5.915 3.288 1.00 0.00 H new ATOM 0 HA ILE A 48 3.713 4.725 5.519 1.00 0.00 H new ATOM 0 HB ILE A 48 1.902 6.037 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.619 3.050 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.584 3.705 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.205 5.392 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.859 6.050 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.601 4.294 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.715 3.491 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.311 5.202 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.275 4.537 3.186 1.00 0.00 H new ATOM 759 N LYS A 49 3.917 2.460 4.284 1.00 0.00 N ATOM 760 CA LYS A 49 4.409 1.174 3.696 1.00 0.00 C ATOM 761 C LYS A 49 3.514 0.745 2.543 1.00 0.00 C ATOM 762 O LYS A 49 2.401 1.226 2.403 1.00 0.00 O ATOM 763 CB LYS A 49 4.394 0.098 4.770 1.00 0.00 C ATOM 764 CG LYS A 49 5.465 0.413 5.817 1.00 0.00 C ATOM 765 CD LYS A 49 5.386 -0.605 6.970 1.00 0.00 C ATOM 766 CE LYS A 49 6.162 -1.874 6.601 1.00 0.00 C ATOM 767 NZ LYS A 49 7.577 -1.515 6.301 1.00 0.00 N ATOM 0 H LYS A 49 3.308 2.354 5.095 1.00 0.00 H new ATOM 0 HA LYS A 49 5.423 1.317 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.412 0.051 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.581 -0.879 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.454 0.381 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.324 1.423 6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.797 -0.169 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.345 -0.852 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.122 -2.590 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.705 -2.355 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.195 -2.319 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.670 -1.283 5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.855 -0.691 6.872 1.00 0.00 H new ATOM 781 N PHE A 50 3.962 -0.179 1.722 1.00 0.00 N ATOM 782 CA PHE A 50 3.108 -0.652 0.604 1.00 0.00 C ATOM 783 C PHE A 50 3.565 -2.063 0.203 1.00 0.00 C ATOM 784 O PHE A 50 4.715 -2.428 0.402 1.00 0.00 O ATOM 785 CB PHE A 50 3.235 0.302 -0.589 1.00 0.00 C ATOM 786 CG PHE A 50 4.548 0.079 -1.306 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.716 0.693 -0.844 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.593 -0.741 -2.441 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.926 0.490 -1.514 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.806 -0.946 -3.109 1.00 0.00 C ATOM 791 CZ PHE A 50 6.972 -0.330 -2.645 1.00 0.00 C ATOM 0 H PHE A 50 4.880 -0.619 1.785 1.00 0.00 H new ATOM 0 HA PHE A 50 2.064 -0.677 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.406 0.144 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.172 1.334 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.683 1.325 0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.692 -1.215 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.827 0.967 -1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.841 -1.580 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.908 -0.488 -3.160 1.00 0.00 H new ATOM 801 N THR A 51 2.676 -2.847 -0.351 1.00 0.00 N ATOM 802 CA THR A 51 3.035 -4.235 -0.768 1.00 0.00 C ATOM 803 C THR A 51 2.454 -4.541 -2.148 1.00 0.00 C ATOM 804 O THR A 51 1.281 -4.348 -2.397 1.00 0.00 O ATOM 805 CB THR A 51 2.465 -5.222 0.251 1.00 0.00 C ATOM 806 OG1 THR A 51 3.076 -4.993 1.513 1.00 0.00 O ATOM 807 CG2 THR A 51 2.739 -6.655 -0.202 1.00 0.00 C ATOM 0 H THR A 51 1.708 -2.582 -0.534 1.00 0.00 H new ATOM 0 HA THR A 51 4.120 -4.327 -0.815 1.00 0.00 H new ATOM 0 HB THR A 51 1.388 -5.078 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.113 -5.833 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.330 -7.352 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.268 -6.827 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.814 -6.810 -0.289 1.00 0.00 H new ATOM 815 N ILE A 52 3.276 -5.031 -3.040 1.00 0.00 N ATOM 816 CA ILE A 52 2.799 -5.370 -4.420 1.00 0.00 C ATOM 817 C ILE A 52 2.709 -6.886 -4.566 1.00 0.00 C ATOM 818 O ILE A 52 3.632 -7.607 -4.238 1.00 0.00 O ATOM 819 CB ILE A 52 3.777 -4.812 -5.449 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.851 -3.292 -5.296 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.283 -5.165 -6.852 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.970 -2.739 -6.180 1.00 0.00 C ATOM 0 H ILE A 52 4.266 -5.213 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 52 1.815 -4.931 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 52 4.767 -5.241 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.898 -2.842 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.035 -3.030 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.978 -4.769 -7.593 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.222 -6.248 -6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.296 -4.730 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.020 -1.656 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.921 -3.179 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.767 -2.988 -7.222 1.00 0.00 H new ATOM 834 N TRP A 53 1.595 -7.380 -5.044 1.00 0.00 N ATOM 835 CA TRP A 53 1.424 -8.851 -5.204 1.00 0.00 C ATOM 836 C TRP A 53 1.890 -9.295 -6.592 1.00 0.00 C ATOM 837 O TRP A 53 1.698 -8.611 -7.578 1.00 0.00 O ATOM 838 CB TRP A 53 -0.059 -9.193 -5.036 1.00 0.00 C ATOM 839 CG TRP A 53 -0.435 -9.055 -3.597 1.00 0.00 C ATOM 840 CD1 TRP A 53 -0.735 -7.890 -2.978 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.554 -10.095 -2.588 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.027 -8.149 -1.654 1.00 0.00 N ATOM 843 CE2 TRP A 53 -0.930 -9.496 -1.363 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.373 -11.489 -2.618 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.118 -10.253 -0.208 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.562 -12.254 -1.456 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.934 -11.637 -0.253 1.00 0.00 C ATOM 0 H TRP A 53 0.792 -6.821 -5.332 1.00 0.00 H new ATOM 0 HA TRP A 53 2.022 -9.367 -4.453 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.669 -8.530 -5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.251 -10.210 -5.379 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.744 -6.916 -3.444 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.283 -7.433 -0.974 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.087 -11.974 -3.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.404 -9.773 0.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.420 -13.324 -1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.078 -12.231 0.637 1.00 0.00 H new ATOM 858 N LYS A 54 2.498 -10.448 -6.665 1.00 0.00 N ATOM 859 CA LYS A 54 2.981 -10.974 -7.971 1.00 0.00 C ATOM 860 C LYS A 54 1.791 -11.166 -8.915 1.00 0.00 C ATOM 861 O LYS A 54 1.897 -10.983 -10.111 1.00 0.00 O ATOM 862 CB LYS A 54 3.666 -12.326 -7.749 1.00 0.00 C ATOM 863 CG LYS A 54 4.976 -12.126 -6.981 1.00 0.00 C ATOM 864 CD LYS A 54 5.681 -13.476 -6.822 1.00 0.00 C ATOM 865 CE LYS A 54 7.004 -13.278 -6.079 1.00 0.00 C ATOM 866 NZ LYS A 54 7.725 -14.580 -5.990 1.00 0.00 N ATOM 0 H LYS A 54 2.682 -11.054 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 54 3.687 -10.268 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.006 -12.991 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.866 -12.804 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.620 -11.427 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.774 -11.691 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.043 -14.168 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.864 -13.920 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.619 -12.544 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.817 -12.885 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.929 -14.796 -4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.132 -15.333 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.617 -14.520 -6.521 1.00 0.00 H new ATOM 880 N ASN A 55 0.664 -11.550 -8.382 1.00 0.00 N ATOM 881 CA ASN A 55 -0.534 -11.776 -9.238 1.00 0.00 C ATOM 882 C ASN A 55 -0.887 -10.488 -9.988 1.00 0.00 C ATOM 883 O ASN A 55 -1.736 -10.481 -10.858 1.00 0.00 O ATOM 884 CB ASN A 55 -1.710 -12.191 -8.350 1.00 0.00 C ATOM 885 CG ASN A 55 -1.991 -11.092 -7.323 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.486 -9.993 -7.440 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.779 -11.344 -6.314 1.00 0.00 N ATOM 0 H ASN A 55 0.521 -11.718 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.322 -12.562 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.596 -12.367 -8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.482 -13.128 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.971 -10.618 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.203 -12.267 -6.216 1.00 0.00 H new ATOM 894 N ALA A 56 -0.236 -9.403 -9.669 1.00 0.00 N ATOM 895 CA ALA A 56 -0.528 -8.122 -10.374 1.00 0.00 C ATOM 896 C ALA A 56 0.248 -8.096 -11.698 1.00 0.00 C ATOM 897 O ALA A 56 -0.119 -7.414 -12.634 1.00 0.00 O ATOM 898 CB ALA A 56 -0.090 -6.949 -9.492 1.00 0.00 C ATOM 0 H ALA A 56 0.486 -9.348 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.596 -8.039 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.302 -6.010 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.636 -6.979 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.980 -7.022 -9.295 1.00 0.00 H new ATOM 904 N GLU A 57 1.315 -8.849 -11.774 1.00 0.00 N ATOM 905 CA GLU A 57 2.132 -8.898 -13.024 1.00 0.00 C ATOM 906 C GLU A 57 2.479 -7.484 -13.472 1.00 0.00 C ATOM 907 O GLU A 57 2.392 -7.156 -14.642 1.00 0.00 O ATOM 908 CB GLU A 57 1.347 -9.614 -14.124 1.00 0.00 C ATOM 909 CG GLU A 57 1.177 -11.084 -13.739 1.00 0.00 C ATOM 910 CD GLU A 57 0.337 -11.803 -14.797 1.00 0.00 C ATOM 911 OE1 GLU A 57 -0.034 -11.163 -15.767 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.078 -12.982 -14.617 1.00 0.00 O ATOM 0 H GLU A 57 1.659 -9.438 -11.016 1.00 0.00 H new ATOM 0 HA GLU A 57 3.055 -9.444 -12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.372 -9.145 -14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.873 -9.532 -15.075 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.153 -11.561 -13.650 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.695 -11.161 -12.765 1.00 0.00 H new ATOM 919 N LEU A 58 2.880 -6.643 -12.545 1.00 0.00 N ATOM 920 CA LEU A 58 3.242 -5.242 -12.901 1.00 0.00 C ATOM 921 C LEU A 58 4.770 -5.076 -12.865 1.00 0.00 C ATOM 922 O LEU A 58 5.452 -5.756 -12.123 1.00 0.00 O ATOM 923 CB LEU A 58 2.606 -4.275 -11.904 1.00 0.00 C ATOM 924 CG LEU A 58 1.108 -4.567 -11.806 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.485 -3.673 -10.734 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.430 -4.295 -13.161 1.00 0.00 C ATOM 0 H LEU A 58 2.971 -6.873 -11.555 1.00 0.00 H new ATOM 0 HA LEU A 58 2.875 -5.024 -13.904 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.074 -4.382 -10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.768 -3.246 -12.224 1.00 0.00 H new ATOM 0 HG LEU A 58 0.963 -5.614 -11.539 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.583 -3.880 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.958 -3.874 -9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.635 -2.627 -11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.637 -4.505 -13.083 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.575 -3.250 -13.437 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.871 -4.936 -13.924 1.00 0.00 H new ATOM 938 N PRO A 59 5.308 -4.170 -13.653 1.00 0.00 N ATOM 939 CA PRO A 59 6.781 -3.912 -13.692 1.00 0.00 C ATOM 940 C PRO A 59 7.367 -3.598 -12.308 1.00 0.00 C ATOM 941 O PRO A 59 6.721 -3.009 -11.463 1.00 0.00 O ATOM 942 CB PRO A 59 6.924 -2.689 -14.621 1.00 0.00 C ATOM 943 CG PRO A 59 5.669 -2.647 -15.435 1.00 0.00 C ATOM 944 CD PRO A 59 4.579 -3.303 -14.598 1.00 0.00 C ATOM 0 HA PRO A 59 7.325 -4.791 -14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.047 -1.772 -14.044 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.802 -2.784 -15.260 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.402 -1.619 -15.681 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.803 -3.176 -16.379 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.980 -2.559 -14.073 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.895 -3.881 -15.220 1.00 0.00 H new ATOM 952 N LEU A 60 8.590 -3.998 -12.078 1.00 0.00 N ATOM 953 CA LEU A 60 9.236 -3.750 -10.759 1.00 0.00 C ATOM 954 C LEU A 60 9.488 -2.255 -10.559 1.00 0.00 C ATOM 955 O LEU A 60 9.844 -1.540 -11.475 1.00 0.00 O ATOM 956 CB LEU A 60 10.567 -4.502 -10.707 1.00 0.00 C ATOM 957 CG LEU A 60 10.332 -5.986 -11.009 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.671 -6.729 -10.975 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.383 -6.587 -9.959 1.00 0.00 C ATOM 0 H LEU A 60 9.173 -4.490 -12.755 1.00 0.00 H new ATOM 0 HA LEU A 60 8.575 -4.101 -9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.264 -4.079 -11.431 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.022 -4.388 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 60 9.883 -6.087 -11.997 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.507 -7.785 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.341 -6.306 -11.724 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.120 -6.625 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.219 -7.642 -10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.826 -6.487 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.430 -6.059 -9.985 1.00 0.00 H new ATOM 971 N LEU A 61 9.298 -1.788 -9.355 1.00 0.00 N ATOM 972 CA LEU A 61 9.508 -0.345 -9.053 1.00 0.00 C ATOM 973 C LEU A 61 10.997 -0.066 -8.842 1.00 0.00 C ATOM 974 O LEU A 61 11.705 -0.839 -8.228 1.00 0.00 O ATOM 975 CB LEU A 61 8.734 0.013 -7.781 1.00 0.00 C ATOM 976 CG LEU A 61 7.248 0.172 -8.115 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.690 -1.159 -8.634 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.489 0.587 -6.853 1.00 0.00 C ATOM 0 H LEU A 61 9.003 -2.353 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 61 9.151 0.258 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.868 -0.766 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.123 0.938 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 61 7.128 0.936 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.632 -1.043 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.232 -1.456 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.808 -1.926 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.430 0.701 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.611 -0.178 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.884 1.534 -6.486 1.00 0.00 H new ATOM 990 N GLU A 62 11.473 1.043 -9.345 1.00 0.00 N ATOM 991 CA GLU A 62 12.918 1.390 -9.182 1.00 0.00 C ATOM 992 C GLU A 62 13.110 2.287 -7.959 1.00 0.00 C ATOM 993 O GLU A 62 12.378 3.234 -7.744 1.00 0.00 O ATOM 994 CB GLU A 62 13.397 2.117 -10.435 1.00 0.00 C ATOM 995 CG GLU A 62 13.430 1.131 -11.602 1.00 0.00 C ATOM 996 CD GLU A 62 13.840 1.861 -12.882 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.110 3.047 -12.803 1.00 0.00 O ATOM 998 OE2 GLU A 62 13.876 1.219 -13.918 1.00 0.00 O ATOM 0 H GLU A 62 10.922 1.727 -9.864 1.00 0.00 H new ATOM 0 HA GLU A 62 13.497 0.477 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.732 2.949 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.389 2.538 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.133 0.325 -11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.450 0.673 -11.731 1.00 0.00 H new ATOM 1005 N GLN A 63 14.090 1.980 -7.153 1.00 0.00 N ATOM 1006 CA GLN A 63 14.346 2.784 -5.926 1.00 0.00 C ATOM 1007 C GLN A 63 14.904 4.160 -6.293 1.00 0.00 C ATOM 1008 O GLN A 63 15.772 4.288 -7.137 1.00 0.00 O ATOM 1009 CB GLN A 63 15.351 2.048 -5.038 1.00 0.00 C ATOM 1010 CG GLN A 63 15.533 2.824 -3.733 1.00 0.00 C ATOM 1011 CD GLN A 63 16.410 2.023 -2.765 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.586 0.833 -2.930 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.967 2.633 -1.754 1.00 0.00 N ATOM 0 H GLN A 63 14.730 1.198 -7.295 1.00 0.00 H new ATOM 0 HA GLN A 63 13.406 2.918 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.998 1.038 -4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.307 1.951 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.992 3.792 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.562 3.021 -3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.818 3.633 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.551 2.110 -1.101 1.00 0.00 H new ATOM 1022 N GLY A 64 14.414 5.187 -5.650 1.00 0.00 N ATOM 1023 CA GLY A 64 14.901 6.564 -5.932 1.00 0.00 C ATOM 1024 C GLY A 64 14.102 7.164 -7.082 1.00 0.00 C ATOM 1025 O GLY A 64 14.267 8.315 -7.423 1.00 0.00 O ATOM 0 H GLY A 64 13.690 5.127 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.800 7.186 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.961 6.541 -6.186 1.00 0.00 H new ATOM 1029 N GLU A 65 13.254 6.383 -7.700 1.00 0.00 N ATOM 1030 CA GLU A 65 12.448 6.896 -8.850 1.00 0.00 C ATOM 1031 C GLU A 65 11.008 7.173 -8.415 1.00 0.00 C ATOM 1032 O GLU A 65 10.525 6.662 -7.417 1.00 0.00 O ATOM 1033 CB GLU A 65 12.450 5.857 -9.969 1.00 0.00 C ATOM 1034 CG GLU A 65 13.873 5.701 -10.511 1.00 0.00 C ATOM 1035 CD GLU A 65 14.279 6.971 -11.264 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.420 7.810 -11.482 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.444 7.084 -11.608 1.00 0.00 O ATOM 0 H GLU A 65 13.084 5.407 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 65 12.891 7.827 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.084 4.901 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.776 6.165 -10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.567 5.515 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.927 4.839 -11.176 1.00 0.00 H new ATOM 1044 N SER A 66 10.322 7.986 -9.178 1.00 0.00 N ATOM 1045 CA SER A 66 8.903 8.322 -8.858 1.00 0.00 C ATOM 1046 C SER A 66 7.971 7.407 -9.654 1.00 0.00 C ATOM 1047 O SER A 66 8.285 6.989 -10.754 1.00 0.00 O ATOM 1048 CB SER A 66 8.631 9.777 -9.230 1.00 0.00 C ATOM 1049 OG SER A 66 9.077 10.010 -10.560 1.00 0.00 O ATOM 0 H SER A 66 10.689 8.435 -10.017 1.00 0.00 H new ATOM 0 HA SER A 66 8.725 8.180 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.566 9.993 -9.148 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.146 10.444 -8.539 1.00 0.00 H new ATOM 0 HG SER A 66 8.997 10.964 -10.769 1.00 0.00 H new ATOM 1055 N TYR A 67 6.822 7.097 -9.109 1.00 0.00 N ATOM 1056 CA TYR A 67 5.859 6.209 -9.826 1.00 0.00 C ATOM 1057 C TYR A 67 4.432 6.702 -9.605 1.00 0.00 C ATOM 1058 O TYR A 67 4.097 7.267 -8.583 1.00 0.00 O ATOM 1059 CB TYR A 67 5.987 4.776 -9.293 1.00 0.00 C ATOM 1060 CG TYR A 67 7.219 4.127 -9.873 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.193 3.628 -11.181 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.385 4.017 -9.106 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.330 3.025 -11.724 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.524 3.413 -9.648 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.496 2.915 -10.958 1.00 0.00 C ATOM 1066 OH TYR A 67 10.617 2.318 -11.495 1.00 0.00 O ATOM 0 H TYR A 67 6.509 7.422 -8.194 1.00 0.00 H new ATOM 0 HA TYR A 67 6.086 6.227 -10.892 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.048 4.786 -8.205 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.101 4.199 -9.557 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.292 3.709 -11.771 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.405 4.399 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.309 2.644 -12.734 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.425 3.330 -9.058 1.00 0.00 H new ATOM 0 HH TYR A 67 11.084 2.958 -12.072 1.00 0.00 H new ATOM 1076 N LEU A 68 3.590 6.462 -10.570 1.00 0.00 N ATOM 1077 CA LEU A 68 2.161 6.881 -10.461 1.00 0.00 C ATOM 1078 C LEU A 68 1.330 5.661 -10.085 1.00 0.00 C ATOM 1079 O LEU A 68 1.477 4.605 -10.669 1.00 0.00 O ATOM 1080 CB LEU A 68 1.699 7.456 -11.801 1.00 0.00 C ATOM 1081 CG LEU A 68 0.193 7.728 -11.767 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.153 8.656 -10.594 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.231 8.391 -13.085 1.00 0.00 C ATOM 0 H LEU A 68 3.832 5.988 -11.440 1.00 0.00 H new ATOM 0 HA LEU A 68 2.042 7.649 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.238 8.379 -12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.932 6.758 -12.605 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.337 6.784 -11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.227 8.841 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.145 8.185 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.377 9.601 -10.709 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.303 8.587 -13.065 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.307 9.331 -13.209 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.001 7.727 -13.918 1.00 0.00 H new ATOM 1095 N LEU A 69 0.469 5.789 -9.103 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.369 4.632 -8.667 1.00 0.00 C ATOM 1097 C LEU A 69 -1.832 4.898 -8.995 1.00 0.00 C ATOM 1098 O LEU A 69 -2.454 5.769 -8.422 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.218 4.462 -7.156 1.00 0.00 C ATOM 1100 CG LEU A 69 1.271 4.405 -6.794 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.427 4.317 -5.275 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.916 3.175 -7.452 1.00 0.00 C ATOM 0 H LEU A 69 0.312 6.652 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.045 3.730 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.698 5.291 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.718 3.550 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 69 1.765 5.307 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.486 4.277 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.975 5.194 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.931 3.418 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.974 3.137 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.422 2.271 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.810 3.244 -8.535 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.379 4.147 -9.916 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.812 4.330 -10.310 1.00 0.00 C ATOM 1116 C ARG A 70 -4.605 3.056 -10.023 1.00 0.00 C ATOM 1117 O ARG A 70 -4.108 1.954 -10.148 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.899 4.655 -11.803 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.517 6.115 -12.035 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.525 6.411 -13.536 1.00 0.00 C ATOM 1121 NE ARG A 70 -3.252 7.858 -13.758 1.00 0.00 N ATOM 1122 CZ ARG A 70 -3.420 8.388 -14.942 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.825 7.652 -15.942 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -3.183 9.658 -15.123 1.00 0.00 N ATOM 0 H ARG A 70 -1.890 3.406 -10.418 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.233 5.152 -9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.234 4.001 -12.367 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.910 4.471 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.218 6.772 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.529 6.314 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.772 5.806 -14.041 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.490 6.142 -13.965 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.932 8.439 -12.983 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.012 6.659 -15.802 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.954 8.070 -16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.868 10.234 -14.343 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.313 10.075 -16.045 1.00 0.00 H new ATOM 1138 N SER A 71 -5.844 3.223 -9.642 1.00 0.00 N ATOM 1139 CA SER A 71 -6.732 2.066 -9.346 1.00 0.00 C ATOM 1140 C SER A 71 -6.118 1.187 -8.260 1.00 0.00 C ATOM 1141 O SER A 71 -5.953 0.000 -8.442 1.00 0.00 O ATOM 1142 CB SER A 71 -6.955 1.243 -10.618 1.00 0.00 C ATOM 1143 OG SER A 71 -7.448 -0.041 -10.264 1.00 0.00 O ATOM 0 H SER A 71 -6.285 4.135 -9.522 1.00 0.00 H new ATOM 0 HA SER A 71 -7.690 2.443 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.663 1.750 -11.273 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.021 1.147 -11.172 1.00 0.00 H new ATOM 0 HG SER A 71 -6.816 -0.478 -9.656 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.793 1.761 -7.125 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.199 0.959 -6.006 1.00 0.00 C ATOM 1151 C VAL A 72 -6.172 0.932 -4.834 1.00 0.00 C ATOM 1152 O VAL A 72 -7.123 1.690 -4.790 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.873 1.579 -5.569 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.872 1.497 -6.726 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.081 3.045 -5.174 1.00 0.00 C ATOM 0 H VAL A 72 -5.914 2.754 -6.925 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.015 -0.060 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.488 1.033 -4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.924 1.938 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.715 0.453 -6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.264 2.041 -7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.129 3.477 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.471 3.600 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.791 3.102 -4.349 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.938 0.050 -3.894 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.846 -0.067 -2.709 1.00 0.00 C ATOM 1167 C VAL A 73 -6.042 0.088 -1.420 1.00 0.00 C ATOM 1168 O VAL A 73 -4.876 -0.247 -1.347 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.535 -1.433 -2.739 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.497 -2.548 -2.585 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.549 -1.515 -1.599 1.00 0.00 C ATOM 0 H VAL A 73 -5.151 -0.599 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.599 0.720 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.047 -1.555 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.997 -3.516 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.778 -2.492 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.976 -2.431 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.041 -2.488 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.036 -1.387 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.295 -0.729 -1.718 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.667 0.615 -0.402 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.964 0.824 0.902 1.00 0.00 C ATOM 1183 C VAL A 74 -6.180 -0.384 1.806 1.00 0.00 C ATOM 1184 O VAL A 74 -7.286 -0.856 1.970 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.522 2.076 1.573 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.837 2.279 2.925 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.253 3.284 0.676 1.00 0.00 C ATOM 0 H VAL A 74 -7.642 0.913 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.895 0.946 0.726 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.595 1.965 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.236 3.173 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.023 1.413 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.764 2.395 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.649 4.183 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.179 3.395 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.739 3.137 -0.288 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.124 -0.896 2.389 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.237 -2.084 3.288 1.00 0.00 C ATOM 1199 C GLY A 75 -5.061 -1.654 4.745 1.00 0.00 C ATOM 1200 O GLY A 75 -4.374 -0.696 5.042 1.00 0.00 O ATOM 0 H GLY A 75 -4.176 -0.535 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.209 -2.560 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.481 -2.824 3.024 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.680 -2.359 5.652 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.561 -2.007 7.096 1.00 0.00 C ATOM 1206 C GLU A 76 -4.428 -2.821 7.725 1.00 0.00 C ATOM 1207 O GLU A 76 -4.566 -4.001 7.983 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.878 -2.333 7.800 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.788 -1.920 9.271 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.128 -2.177 9.958 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -8.963 -2.838 9.361 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -8.298 -1.709 11.071 1.00 0.00 O ATOM 0 H GLU A 76 -6.267 -3.169 5.454 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.343 -0.944 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.701 -1.809 7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.089 -3.400 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.998 -2.482 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.525 -0.865 9.348 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.308 -2.194 7.975 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.154 -2.918 8.585 1.00 0.00 C ATOM 1221 C TYR A 77 -2.149 -2.676 10.099 1.00 0.00 C ATOM 1222 O TYR A 77 -1.775 -1.624 10.574 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.856 -2.399 7.960 1.00 0.00 C ATOM 1224 CG TYR A 77 0.296 -3.284 8.369 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.976 -3.039 9.567 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.683 -4.354 7.551 1.00 0.00 C ATOM 1227 CE1 TYR A 77 2.041 -3.861 9.948 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.749 -5.178 7.932 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.429 -4.930 9.131 1.00 0.00 C ATOM 1230 OH TYR A 77 3.481 -5.740 9.507 1.00 0.00 O ATOM 0 H TYR A 77 -3.143 -1.206 7.782 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.239 -3.989 8.399 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.946 -2.382 6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.671 -1.374 8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.678 -2.215 10.198 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.159 -4.543 6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.565 -3.671 10.873 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.046 -6.003 7.302 1.00 0.00 H new ATOM 0 HH TYR A 77 3.618 -6.434 8.829 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.565 -3.663 10.849 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.607 -3.546 12.338 1.00 0.00 C ATOM 1242 C ASN A 78 -3.085 -2.151 12.758 1.00 0.00 C ATOM 1243 O ASN A 78 -4.231 -1.797 12.568 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.209 -3.805 12.912 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.867 -5.290 12.760 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -1.742 -6.104 12.544 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.373 -5.682 12.870 1.00 0.00 N ATOM 0 H ASN A 78 -2.883 -4.562 10.486 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.308 -4.285 12.726 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.471 -3.195 12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.176 -3.518 13.963 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.606 -6.670 12.775 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.109 -5.000 13.051 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.217 -1.366 13.340 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.610 0.006 13.789 1.00 0.00 C ATOM 1256 C ASP A 79 -2.248 1.029 12.713 1.00 0.00 C ATOM 1257 O ASP A 79 -2.769 2.124 12.692 1.00 0.00 O ATOM 1258 CB ASP A 79 -1.865 0.350 15.082 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.383 1.681 15.629 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.413 2.132 15.153 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -1.746 2.225 16.515 1.00 0.00 O ATOM 0 H ASP A 79 -1.246 -1.617 13.526 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.686 0.031 13.963 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.010 -0.440 15.819 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.794 0.415 14.891 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.346 0.687 11.827 1.00 0.00 N ATOM 1267 CA ARG A 80 -0.934 1.650 10.758 1.00 0.00 C ATOM 1268 C ARG A 80 -1.667 1.342 9.451 1.00 0.00 C ATOM 1269 O ARG A 80 -2.158 0.254 9.232 1.00 0.00 O ATOM 1270 CB ARG A 80 0.569 1.538 10.526 1.00 0.00 C ATOM 1271 CG ARG A 80 1.313 2.092 11.741 1.00 0.00 C ATOM 1272 CD ARG A 80 2.821 1.977 11.512 1.00 0.00 C ATOM 1273 NE ARG A 80 3.545 2.507 12.702 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.818 2.796 12.626 1.00 0.00 C ATOM 1275 NH1 ARG A 80 5.473 2.602 11.512 1.00 0.00 N ATOM 1276 NH2 ARG A 80 5.438 3.278 13.668 1.00 0.00 N ATOM 0 H ARG A 80 -0.876 -0.218 11.797 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.188 2.660 11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.846 0.497 10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.852 2.090 9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.038 3.134 11.905 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.028 1.542 12.638 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.095 0.936 11.340 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.108 2.534 10.620 1.00 0.00 H new ATOM 0 HE ARG A 80 3.045 2.645 13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.991 2.223 10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.466 2.829 11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.930 3.429 14.539 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.431 3.504 13.611 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.737 2.309 8.579 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.431 2.104 7.276 1.00 0.00 C ATOM 1292 C PHE A 81 -1.404 1.695 6.220 1.00 0.00 C ATOM 1293 O PHE A 81 -0.250 2.068 6.292 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.106 3.410 6.861 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.068 3.842 7.945 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -3.619 4.641 9.002 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -5.410 3.448 7.889 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.509 5.040 10.007 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -6.301 3.845 8.892 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.851 4.644 9.950 1.00 0.00 C ATOM 0 H PHE A 81 -1.341 3.239 8.714 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.183 1.320 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.356 4.183 6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.638 3.275 5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.585 4.950 9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.758 2.836 7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.161 5.653 10.825 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.335 3.535 8.850 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.539 4.955 10.722 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.807 0.922 5.245 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.847 0.479 4.188 1.00 0.00 C ATOM 1312 C GLN A 82 -1.568 0.415 2.843 1.00 0.00 C ATOM 1313 O GLN A 82 -2.757 0.177 2.776 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.300 -0.911 4.552 1.00 0.00 C ATOM 1315 CG GLN A 82 0.661 -1.400 3.460 1.00 0.00 C ATOM 1316 CD GLN A 82 1.270 -2.746 3.867 1.00 0.00 C ATOM 1317 OE1 GLN A 82 1.282 -3.095 5.030 1.00 0.00 O ATOM 1318 NE2 GLN A 82 1.777 -3.525 2.947 1.00 0.00 N ATOM 0 H GLN A 82 -2.761 0.578 5.134 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.021 1.187 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.217 -0.868 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.123 -1.616 4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.129 -1.503 2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.451 -0.666 3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.768 -3.233 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.182 -4.424 3.207 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.849 0.624 1.770 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.481 0.575 0.415 1.00 0.00 C ATOM 1329 C VAL A 83 -1.169 -0.771 -0.232 1.00 0.00 C ATOM 1330 O VAL A 83 -0.022 -1.155 -0.356 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.910 1.697 -0.455 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.765 1.843 -1.711 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.923 3.012 0.329 1.00 0.00 C ATOM 0 H VAL A 83 0.151 0.827 1.773 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.560 0.700 0.509 1.00 0.00 H new ATOM 0 HB VAL A 83 0.115 1.456 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.362 2.641 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.755 0.907 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.789 2.085 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.516 3.810 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.947 3.258 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.315 2.906 1.228 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.180 -1.497 -0.638 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.958 -2.828 -1.276 1.00 0.00 C ATOM 1345 C GLN A 84 -2.244 -2.732 -2.770 1.00 0.00 C ATOM 1346 O GLN A 84 -3.301 -2.298 -3.184 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.906 -3.848 -0.648 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.558 -4.019 0.832 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.557 -4.977 1.483 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.728 -4.672 1.597 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.140 -6.132 1.912 1.00 0.00 N ATOM 0 H GLN A 84 -3.158 -1.221 -0.553 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.924 -3.138 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.939 -3.515 -0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.824 -4.804 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.545 -4.407 0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.582 -3.053 1.336 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.157 -6.387 1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.796 -6.783 2.344 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.305 -3.138 -3.581 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.497 -3.085 -5.062 1.00 0.00 C ATOM 1362 C VAL A 85 -1.775 -4.496 -5.578 1.00 0.00 C ATOM 1363 O VAL A 85 -1.098 -5.443 -5.223 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.237 -2.532 -5.720 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.430 -2.513 -7.234 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.012 -1.107 -5.216 1.00 0.00 C ATOM 0 H VAL A 85 -0.404 -3.508 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.338 -2.436 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 85 0.618 -3.160 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.468 -2.119 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.614 -3.527 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.281 -1.880 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.912 -0.708 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.840 -0.477 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.141 -1.121 -4.134 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.777 -4.645 -6.403 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.121 -5.994 -6.937 1.00 0.00 C ATOM 1378 C ASN A 86 -3.647 -5.872 -8.368 1.00 0.00 C ATOM 1379 O ASN A 86 -3.689 -4.804 -8.945 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.203 -6.629 -6.053 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.543 -5.916 -6.276 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -6.160 -6.064 -7.313 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.017 -5.137 -5.343 1.00 0.00 N ATOM 0 H ASN A 86 -3.375 -3.886 -6.731 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.227 -6.618 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.301 -7.689 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.915 -6.560 -5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.904 -4.653 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.501 -5.012 -4.472 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.051 -6.978 -8.930 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.591 -6.980 -10.323 1.00 0.00 C ATOM 1392 C LYS A 87 -5.528 -5.785 -10.516 1.00 0.00 C ATOM 1393 O LYS A 87 -5.938 -5.151 -9.565 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.365 -8.282 -10.551 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.577 -8.505 -12.051 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.224 -9.873 -12.281 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.424 -10.093 -13.784 1.00 0.00 C ATOM 1398 NZ LYS A 87 -7.021 -11.439 -14.017 1.00 0.00 N ATOM 0 H LYS A 87 -4.030 -7.893 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.770 -6.906 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.816 -9.121 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.327 -8.237 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.211 -7.718 -12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.623 -8.450 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.594 -10.660 -11.867 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.182 -9.927 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.075 -9.320 -14.192 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.469 -10.012 -14.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.156 -11.587 -15.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.384 -12.171 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.940 -11.500 -13.534 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.868 -5.474 -11.739 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.781 -4.323 -11.999 1.00 0.00 C ATOM 1414 C ASN A 88 -6.027 -3.005 -11.774 1.00 0.00 C ATOM 1415 O ASN A 88 -6.322 -1.998 -12.388 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.989 -4.401 -11.040 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.232 -3.803 -11.703 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.686 -2.743 -11.324 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.803 -4.445 -12.684 1.00 0.00 N ATOM 0 H ASN A 88 -5.551 -5.970 -12.572 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.132 -4.363 -13.030 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.178 -5.439 -10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.766 -3.864 -10.118 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.632 -4.056 -13.134 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.421 -5.336 -13.002 1.00 0.00 H new ATOM 1426 N SER A 89 -5.067 -3.005 -10.892 1.00 0.00 N ATOM 1427 CA SER A 89 -4.308 -1.753 -10.617 1.00 0.00 C ATOM 1428 C SER A 89 -3.306 -1.495 -11.737 1.00 0.00 C ATOM 1429 O SER A 89 -3.007 -2.367 -12.528 1.00 0.00 O ATOM 1430 CB SER A 89 -3.567 -1.883 -9.287 1.00 0.00 C ATOM 1431 OG SER A 89 -2.513 -2.825 -9.423 1.00 0.00 O ATOM 0 H SER A 89 -4.775 -3.818 -10.349 1.00 0.00 H new ATOM 0 HA SER A 89 -5.006 -0.918 -10.563 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.167 -0.915 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.255 -2.202 -8.504 1.00 0.00 H new ATOM 0 HG SER A 89 -2.889 -3.713 -9.599 1.00 0.00 H new ATOM 1437 N SER A 90 -2.788 -0.294 -11.816 1.00 0.00 N ATOM 1438 CA SER A 90 -1.807 0.043 -12.891 1.00 0.00 C ATOM 1439 C SER A 90 -0.699 0.912 -12.311 1.00 0.00 C ATOM 1440 O SER A 90 -0.873 1.559 -11.296 1.00 0.00 O ATOM 1441 CB SER A 90 -2.518 0.805 -14.002 1.00 0.00 C ATOM 1442 OG SER A 90 -3.205 1.918 -13.443 1.00 0.00 O ATOM 0 H SER A 90 -3.005 0.471 -11.177 1.00 0.00 H new ATOM 0 HA SER A 90 -1.377 -0.874 -13.294 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.797 1.144 -14.745 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.221 0.150 -14.516 1.00 0.00 H new ATOM 0 HG SER A 90 -3.662 2.412 -14.155 1.00 0.00 H new ATOM 1448 N ILE A 91 0.440 0.944 -12.955 1.00 0.00 N ATOM 1449 CA ILE A 91 1.573 1.775 -12.455 1.00 0.00 C ATOM 1450 C ILE A 91 2.306 2.406 -13.641 1.00 0.00 C ATOM 1451 O ILE A 91 2.608 1.741 -14.612 1.00 0.00 O ATOM 1452 CB ILE A 91 2.551 0.896 -11.671 1.00 0.00 C ATOM 1453 CG1 ILE A 91 1.850 0.340 -10.426 1.00 0.00 C ATOM 1454 CG2 ILE A 91 3.761 1.735 -11.250 1.00 0.00 C ATOM 1455 CD1 ILE A 91 2.766 -0.654 -9.718 1.00 0.00 C ATOM 0 H ILE A 91 0.633 0.426 -13.812 1.00 0.00 H new ATOM 0 HA ILE A 91 1.183 2.558 -11.804 1.00 0.00 H new ATOM 0 HB ILE A 91 2.884 0.069 -12.297 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.590 1.154 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.918 -0.149 -10.710 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.459 1.112 -10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.256 2.130 -12.137 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.430 2.562 -10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.263 -1.046 -8.834 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.004 -1.475 -10.394 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.686 -0.152 -9.419 1.00 0.00 H new ATOM 1467 N GLU A 92 2.599 3.681 -13.562 1.00 0.00 N ATOM 1468 CA GLU A 92 3.327 4.368 -14.674 1.00 0.00 C ATOM 1469 C GLU A 92 4.461 5.213 -14.088 1.00 0.00 C ATOM 1470 O GLU A 92 4.312 5.862 -13.071 1.00 0.00 O ATOM 1471 CB GLU A 92 2.358 5.268 -15.445 1.00 0.00 C ATOM 1472 CG GLU A 92 3.082 5.889 -16.643 1.00 0.00 C ATOM 1473 CD GLU A 92 2.103 6.757 -17.438 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.910 6.622 -17.218 1.00 0.00 O ATOM 1475 OE2 GLU A 92 2.562 7.538 -18.253 1.00 0.00 O ATOM 0 H GLU A 92 2.364 4.279 -12.770 1.00 0.00 H new ATOM 0 HA GLU A 92 3.741 3.624 -15.354 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.500 4.689 -15.785 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.975 6.052 -14.792 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.923 6.492 -16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.490 5.105 -17.281 1.00 0.00 H new ATOM 1482 N LYS A 93 5.597 5.195 -14.726 1.00 0.00 N ATOM 1483 CA LYS A 93 6.760 5.981 -14.225 1.00 0.00 C ATOM 1484 C LYS A 93 6.523 7.467 -14.483 1.00 0.00 C ATOM 1485 O LYS A 93 6.022 7.850 -15.524 1.00 0.00 O ATOM 1486 CB LYS A 93 8.025 5.517 -14.949 1.00 0.00 C ATOM 1487 CG LYS A 93 9.253 6.203 -14.344 1.00 0.00 C ATOM 1488 CD LYS A 93 10.518 5.675 -15.027 1.00 0.00 C ATOM 1489 CE LYS A 93 11.752 6.344 -14.417 1.00 0.00 C ATOM 1490 NZ LYS A 93 12.982 5.805 -15.063 1.00 0.00 N ATOM 0 H LYS A 93 5.772 4.665 -15.580 1.00 0.00 H new ATOM 0 HA LYS A 93 6.879 5.825 -13.153 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.125 4.435 -14.867 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.953 5.751 -16.011 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.180 7.283 -14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.299 6.012 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.583 4.593 -14.908 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.476 5.876 -16.098 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.699 7.424 -14.556 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.783 6.162 -13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.820 6.260 -14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.034 4.778 -14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.952 6.000 -16.084 1.00 0.00 H new ATOM 1504 N LEU A 94 6.876 8.308 -13.542 1.00 0.00 N ATOM 1505 CA LEU A 94 6.672 9.780 -13.723 1.00 0.00 C ATOM 1506 C LEU A 94 7.992 10.434 -14.113 1.00 0.00 C ATOM 1507 O LEU A 94 8.026 11.567 -14.548 1.00 0.00 O ATOM 1508 CB LEU A 94 6.175 10.372 -12.403 1.00 0.00 C ATOM 1509 CG LEU A 94 4.753 9.864 -12.115 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.353 10.248 -10.686 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.752 10.482 -13.119 1.00 0.00 C ATOM 0 H LEU A 94 7.298 8.038 -12.653 1.00 0.00 H new ATOM 0 HA LEU A 94 5.940 9.961 -14.510 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.845 10.090 -11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.180 11.461 -12.456 1.00 0.00 H new ATOM 0 HG LEU A 94 4.734 8.779 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.345 9.888 -10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.050 9.797 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.380 11.332 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.748 10.115 -12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.768 11.568 -13.027 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.033 10.199 -14.134 1.00 0.00 H new ATOM 1523 N SER A 95 9.074 9.724 -13.964 1.00 0.00 N ATOM 1524 CA SER A 95 10.401 10.293 -14.329 1.00 0.00 C ATOM 1525 C SER A 95 10.586 11.645 -13.649 1.00 0.00 C ATOM 1526 O SER A 95 11.563 12.332 -13.888 1.00 0.00 O ATOM 1527 CB SER A 95 10.472 10.476 -15.847 1.00 0.00 C ATOM 1528 OG SER A 95 11.697 11.109 -16.191 1.00 0.00 O ATOM 0 H SER A 95 9.097 8.770 -13.604 1.00 0.00 H new ATOM 0 HA SER A 95 11.188 9.614 -14.002 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.398 9.509 -16.344 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.630 11.077 -16.191 1.00 0.00 H new ATOM 0 HG SER A 95 12.099 11.501 -15.388 1.00 0.00 H new ATOM 1534 N GLU A 96 9.651 12.042 -12.810 1.00 0.00 N ATOM 1535 CA GLU A 96 9.762 13.358 -12.126 1.00 0.00 C ATOM 1536 C GLU A 96 10.102 13.138 -10.640 1.00 0.00 C ATOM 1537 O GLU A 96 9.428 12.393 -9.952 1.00 0.00 O ATOM 1538 CB GLU A 96 8.433 14.099 -12.230 1.00 0.00 C ATOM 1539 CG GLU A 96 8.623 15.551 -11.776 1.00 0.00 C ATOM 1540 CD GLU A 96 9.425 16.321 -12.829 1.00 0.00 C ATOM 1541 OE1 GLU A 96 9.364 15.942 -13.987 1.00 0.00 O ATOM 1542 OE2 GLU A 96 10.085 17.280 -12.461 1.00 0.00 O ATOM 0 H GLU A 96 8.817 11.503 -12.575 1.00 0.00 H new ATOM 0 HA GLU A 96 10.548 13.946 -12.600 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.068 14.072 -13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.681 13.608 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.653 16.025 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.143 15.578 -10.818 1.00 0.00 H new ATOM 1549 N PRO A 97 11.141 13.774 -10.139 1.00 0.00 N ATOM 1550 CA PRO A 97 11.557 13.627 -8.717 1.00 0.00 C ATOM 1551 C PRO A 97 10.615 14.363 -7.760 1.00 0.00 C ATOM 1552 O PRO A 97 10.150 15.445 -8.045 1.00 0.00 O ATOM 1553 CB PRO A 97 12.963 14.249 -8.690 1.00 0.00 C ATOM 1554 CG PRO A 97 12.973 15.240 -9.811 1.00 0.00 C ATOM 1555 CD PRO A 97 12.026 14.699 -10.871 1.00 0.00 C ATOM 0 HA PRO A 97 11.536 12.588 -8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.161 14.733 -7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.733 13.490 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.649 16.221 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.979 15.361 -10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.459 15.501 -11.343 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.570 14.184 -11.663 1.00 0.00 H new ATOM 1563 N ILE A 98 10.339 13.772 -6.627 1.00 0.00 N ATOM 1564 CA ILE A 98 9.425 14.413 -5.625 1.00 0.00 C ATOM 1565 C ILE A 98 10.225 14.808 -4.387 1.00 0.00 C ATOM 1566 O ILE A 98 11.045 14.055 -3.899 1.00 0.00 O ATOM 1567 CB ILE A 98 8.326 13.430 -5.249 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.519 13.088 -6.503 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.410 14.073 -4.209 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.585 11.914 -6.208 1.00 0.00 C ATOM 0 H ILE A 98 10.710 12.864 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 98 8.973 15.308 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 98 8.762 12.522 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.940 13.955 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.191 12.834 -7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.621 13.372 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.990 14.329 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.965 14.977 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.011 11.672 -7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.174 11.047 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.903 12.185 -5.402 1.00 0.00 H new ATOM 1582 N GLU A 99 9.996 15.989 -3.872 1.00 0.00 N ATOM 1583 CA GLU A 99 10.747 16.442 -2.666 1.00 0.00 C ATOM 1584 C GLU A 99 9.966 16.070 -1.404 1.00 0.00 C ATOM 1585 O GLU A 99 8.858 16.518 -1.182 1.00 0.00 O ATOM 1586 CB GLU A 99 10.933 17.965 -2.733 1.00 0.00 C ATOM 1587 CG GLU A 99 11.815 18.437 -1.571 1.00 0.00 C ATOM 1588 CD GLU A 99 13.247 17.928 -1.765 1.00 0.00 C ATOM 1589 OE1 GLU A 99 13.535 17.409 -2.830 1.00 0.00 O ATOM 1590 OE2 GLU A 99 14.031 18.062 -0.839 1.00 0.00 O ATOM 0 H GLU A 99 9.319 16.659 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 99 11.722 15.956 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.390 18.242 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.963 18.460 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.811 19.526 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.414 18.070 -0.626 1.00 0.00 H new ATOM 1597 N VAL A 100 10.556 15.254 -0.574 1.00 0.00 N ATOM 1598 CA VAL A 100 9.890 14.841 0.690 1.00 0.00 C ATOM 1599 C VAL A 100 10.284 15.835 1.786 1.00 0.00 C ATOM 1600 O VAL A 100 9.789 15.790 2.894 1.00 0.00 O ATOM 1601 CB VAL A 100 10.367 13.434 1.065 1.00 0.00 C ATOM 1602 CG1 VAL A 100 10.007 12.454 -0.055 1.00 0.00 C ATOM 1603 CG2 VAL A 100 11.886 13.447 1.256 1.00 0.00 C ATOM 0 H VAL A 100 11.482 14.852 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 100 8.806 14.832 0.572 1.00 0.00 H new ATOM 0 HB VAL A 100 9.883 13.122 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.347 11.454 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.926 12.444 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.491 12.766 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 100 12.228 12.447 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.367 13.759 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.147 14.144 2.052 1.00 0.00 H new ATOM 1613 N GLY A 101 11.169 16.744 1.469 1.00 0.00 N ATOM 1614 CA GLY A 101 11.605 17.757 2.470 1.00 0.00 C ATOM 1615 C GLY A 101 10.554 18.862 2.561 1.00 0.00 C ATOM 1616 O GLY A 101 10.346 19.615 1.630 1.00 0.00 O ATOM 0 H GLY A 101 11.610 16.827 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.741 17.287 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.568 18.178 2.182 1.00 0.00 H new ATOM 1620 N LEU A 102 9.882 18.956 3.676 1.00 0.00 N ATOM 1621 CA LEU A 102 8.833 19.996 3.836 1.00 0.00 C ATOM 1622 C LEU A 102 9.431 21.223 4.528 1.00 0.00 C ATOM 1623 O LEU A 102 9.752 21.206 5.702 1.00 0.00 O ATOM 1624 CB LEU A 102 7.679 19.423 4.681 1.00 0.00 C ATOM 1625 CG LEU A 102 6.399 20.230 4.427 1.00 0.00 C ATOM 1626 CD1 LEU A 102 5.235 19.606 5.201 1.00 0.00 C ATOM 1627 CD2 LEU A 102 6.598 21.685 4.876 1.00 0.00 C ATOM 0 H LEU A 102 10.017 18.352 4.487 1.00 0.00 H new ATOM 0 HA LEU A 102 8.452 20.292 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.516 18.375 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.938 19.458 5.739 1.00 0.00 H new ATOM 0 HG LEU A 102 6.174 20.215 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.327 20.181 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.086 18.579 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.461 19.613 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 102 5.685 22.251 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.831 21.709 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.420 22.130 4.315 1.00 0.00 H new ATOM 1639 N GLU A 103 9.556 22.290 3.797 1.00 0.00 N ATOM 1640 CA GLU A 103 10.105 23.554 4.363 1.00 0.00 C ATOM 1641 C GLU A 103 11.491 23.309 4.961 1.00 0.00 C ATOM 1642 O GLU A 103 11.646 22.604 5.938 1.00 0.00 O ATOM 1643 CB GLU A 103 9.159 24.082 5.443 1.00 0.00 C ATOM 1644 CG GLU A 103 9.594 25.486 5.873 1.00 0.00 C ATOM 1645 CD GLU A 103 9.308 26.483 4.746 1.00 0.00 C ATOM 1646 OE1 GLU A 103 8.704 26.082 3.764 1.00 0.00 O ATOM 1647 OE2 GLU A 103 9.699 27.630 4.884 1.00 0.00 O ATOM 0 H GLU A 103 9.297 22.343 2.812 1.00 0.00 H new ATOM 0 HA GLU A 103 10.195 24.292 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.138 24.108 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.163 23.411 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.061 25.781 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.657 25.490 6.114 1.00 0.00 H new ATOM 1654 N HIS A 104 12.494 23.906 4.378 1.00 0.00 N ATOM 1655 CA HIS A 104 13.881 23.741 4.892 1.00 0.00 C ATOM 1656 C HIS A 104 14.675 25.008 4.570 1.00 0.00 C ATOM 1657 O HIS A 104 14.375 25.712 3.628 1.00 0.00 O ATOM 1658 CB HIS A 104 14.538 22.536 4.216 1.00 0.00 C ATOM 1659 CG HIS A 104 14.501 22.715 2.725 1.00 0.00 C ATOM 1660 ND1 HIS A 104 13.452 22.243 1.951 1.00 0.00 N ATOM 1661 CD2 HIS A 104 15.374 23.311 1.851 1.00 0.00 C ATOM 1662 CE1 HIS A 104 13.718 22.562 0.670 1.00 0.00 C ATOM 1663 NE2 HIS A 104 14.878 23.214 0.553 1.00 0.00 N ATOM 0 H HIS A 104 12.410 24.507 3.559 1.00 0.00 H new ATOM 0 HA HIS A 104 13.863 23.577 5.969 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.569 22.433 4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.017 21.620 4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 104 16.305 23.784 2.127 1.00 0.00 H new ATOM 0 HE1 HIS A 104 13.072 22.320 -0.161 1.00 0.00 H new ATOM 0 HE2 HIS A 104 15.308 23.565 -0.303 1.00 0.00 H new ATOM 1671 N HIS A 105 15.679 25.303 5.352 1.00 0.00 N ATOM 1672 CA HIS A 105 16.504 26.529 5.111 1.00 0.00 C ATOM 1673 C HIS A 105 17.983 26.165 5.234 1.00 0.00 C ATOM 1674 O HIS A 105 18.795 26.958 5.665 1.00 0.00 O ATOM 1675 CB HIS A 105 16.149 27.589 6.158 1.00 0.00 C ATOM 1676 CG HIS A 105 16.508 27.083 7.528 1.00 0.00 C ATOM 1677 ND1 HIS A 105 15.608 26.382 8.316 1.00 0.00 N ATOM 1678 CD2 HIS A 105 17.663 27.171 8.266 1.00 0.00 C ATOM 1679 CE1 HIS A 105 16.230 26.079 9.470 1.00 0.00 C ATOM 1680 NE2 HIS A 105 17.485 26.537 9.492 1.00 0.00 N ATOM 0 H HIS A 105 15.967 24.744 6.155 1.00 0.00 H new ATOM 0 HA HIS A 105 16.305 26.922 4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.685 28.515 5.949 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.085 27.819 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.571 27.658 7.944 1.00 0.00 H new ATOM 0 HE1 HIS A 105 15.771 25.532 10.280 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.166 26.442 10.245 1.00 0.00 H new ATOM 1688 N HIS A 106 18.336 24.963 4.867 1.00 0.00 N ATOM 1689 CA HIS A 106 19.760 24.536 4.967 1.00 0.00 C ATOM 1690 C HIS A 106 20.311 24.903 6.348 1.00 0.00 C ATOM 1691 O HIS A 106 19.984 24.285 7.341 1.00 0.00 O ATOM 1692 CB HIS A 106 20.589 25.236 3.887 1.00 0.00 C ATOM 1693 CG HIS A 106 22.025 24.802 4.000 1.00 0.00 C ATOM 1694 ND1 HIS A 106 22.952 25.495 4.764 1.00 0.00 N ATOM 1695 CD2 HIS A 106 22.708 23.742 3.456 1.00 0.00 C ATOM 1696 CE1 HIS A 106 24.128 24.852 4.659 1.00 0.00 C ATOM 1697 NE2 HIS A 106 24.036 23.776 3.873 1.00 0.00 N ATOM 0 H HIS A 106 17.697 24.257 4.501 1.00 0.00 H new ATOM 0 HA HIS A 106 19.820 23.457 4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 106 20.200 24.991 2.899 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.514 26.318 4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 106 22.280 22.995 2.804 1.00 0.00 H new ATOM 0 HE1 HIS A 106 25.037 25.167 5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 106 24.779 23.120 3.630 1.00 0.00 H new ATOM 1705 N HIS A 107 21.152 25.903 6.413 1.00 0.00 N ATOM 1706 CA HIS A 107 21.738 26.313 7.723 1.00 0.00 C ATOM 1707 C HIS A 107 22.080 27.804 7.682 1.00 0.00 C ATOM 1708 O HIS A 107 22.424 28.397 8.684 1.00 0.00 O ATOM 1709 CB HIS A 107 23.013 25.507 7.973 1.00 0.00 C ATOM 1710 CG HIS A 107 23.619 25.911 9.287 1.00 0.00 C ATOM 1711 ND1 HIS A 107 23.064 25.540 10.501 1.00 0.00 N ATOM 1712 CD2 HIS A 107 24.737 26.647 9.596 1.00 0.00 C ATOM 1713 CE1 HIS A 107 23.841 26.047 11.475 1.00 0.00 C ATOM 1714 NE2 HIS A 107 24.875 26.731 10.979 1.00 0.00 N ATOM 0 H HIS A 107 21.459 26.455 5.612 1.00 0.00 H new ATOM 0 HA HIS A 107 21.021 26.127 8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 107 22.785 24.441 7.979 1.00 0.00 H new ATOM 0 HB3 HIS A 107 23.726 25.676 7.166 1.00 0.00 H new ATOM 0 HD2 HIS A 107 25.407 27.093 8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.652 25.917 12.530 1.00 0.00 H new ATOM 0 HE2 HIS A 107 25.608 27.211 11.501 1.00 0.00 H new ATOM 1722 N HIS A 108 21.994 28.411 6.531 1.00 0.00 N ATOM 1723 CA HIS A 108 22.316 29.865 6.421 1.00 0.00 C ATOM 1724 C HIS A 108 21.529 30.470 5.256 1.00 0.00 C ATOM 1725 O HIS A 108 20.962 31.539 5.364 1.00 0.00 O ATOM 1726 CB HIS A 108 23.818 30.034 6.168 1.00 0.00 C ATOM 1727 CG HIS A 108 24.165 31.495 6.202 1.00 0.00 C ATOM 1728 ND1 HIS A 108 24.030 32.313 5.092 1.00 0.00 N ATOM 1729 CD2 HIS A 108 24.637 32.302 7.208 1.00 0.00 C ATOM 1730 CE1 HIS A 108 24.412 33.552 5.453 1.00 0.00 C ATOM 1731 NE2 HIS A 108 24.792 33.600 6.733 1.00 0.00 N ATOM 0 H HIS A 108 21.714 27.963 5.658 1.00 0.00 H new ATOM 0 HA HIS A 108 22.044 30.373 7.346 1.00 0.00 H new ATOM 0 HB2 HIS A 108 24.389 29.495 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 108 24.086 29.607 5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 108 24.855 31.978 8.215 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.411 34.404 4.789 1.00 0.00 H new ATOM 0 HE2 HIS A 108 25.124 34.414 7.251 1.00 0.00 H new ATOM 1739 N HIS A 109 21.490 29.786 4.143 1.00 0.00 N ATOM 1740 CA HIS A 109 20.745 30.304 2.959 1.00 0.00 C ATOM 1741 C HIS A 109 19.273 29.897 3.062 1.00 0.00 C ATOM 1742 O HIS A 109 18.980 28.740 2.807 1.00 0.00 O ATOM 1743 CB HIS A 109 21.350 29.704 1.688 1.00 0.00 C ATOM 1744 CG HIS A 109 20.570 30.160 0.486 1.00 0.00 C ATOM 1745 ND1 HIS A 109 20.695 31.437 -0.036 1.00 0.00 N ATOM 1746 CD2 HIS A 109 19.655 29.517 -0.312 1.00 0.00 C ATOM 1747 CE1 HIS A 109 19.875 31.523 -1.100 1.00 0.00 C ATOM 1748 NE2 HIS A 109 19.218 30.379 -1.313 1.00 0.00 N ATOM 1749 OXT HIS A 109 18.464 30.747 3.395 1.00 0.00 O ATOM 0 H HIS A 109 21.946 28.884 4.003 1.00 0.00 H new ATOM 0 HA HIS A 109 20.817 31.391 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 109 22.393 30.008 1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 109 21.339 28.616 1.748 1.00 0.00 H new ATOM 0 HD2 HIS A 109 19.325 28.497 -0.182 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.762 32.409 -1.708 1.00 0.00 H new ATOM 0 HE2 HIS A 109 18.542 30.180 -2.050 1.00 0.00 H new TER 1757 HIS A 109