USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 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 107 HIS : no HD1:sc= -1.57! C(o=-2.5!,f=-7.2!) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.972 K(o=-2.5,f=-8.9) USER MOD Single : A 1 MET CE :methyl -138:sc= -0.181 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0896 (180deg=-0.608) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.393 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.016 (180deg=-0.255) USER MOD Single : A 14 ASN : amide:sc= -3.42! C(o=-3.4!,f=-5!) USER MOD Single : A 16 GLN : amide:sc= -2.08! K(o=-2.1!,f=-0.27) USER MOD Single : A 19 ASN : amide:sc= -4.16 K(o=-4.2,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.548) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= -0.599 (180deg=-2.41!) USER MOD Single : A 26 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.49) USER MOD Single : A 30 ASN : amide:sc= -4.88! C(o=-4.9!,f=-17!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-4.4!) 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= 0 K(o=0,f=-3.4!) USER MOD Single : A 45 THR OG1 : rot -85:sc= 0.883 USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= -1.94 (180deg=-2.86!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0214) USER MOD Single : A 55 ASN : amide:sc= -0.925 K(o=-0.93,f=-0.04) USER MOD Single : A 63 GLN : amide:sc= -2.5! C(o=-2.5!,f=-6.9!) USER MOD Single : A 66 SER OG : rot -154:sc= -0.672 USER MOD Single : A 67 TYR OH : rot 110:sc= -0.708! USER MOD Single : A 71 SER OG : rot -66:sc= 1.02 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.32! C(o=-1.3!,f=-2.3!) USER MOD Single : A 82 GLN : amide:sc= -4.07 K(o=-4.1,f=-3.2!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 86 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc=-0.00852 X(o=-0.0085,f=-0.43) USER MOD Single : A 89 SER OG : rot -75:sc= 0.703 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 9:sc= 0.77 USER MOD Single : A 104 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-5.9!) USER MOD Single : A 105 HIS : no HE2:sc= -0.43 K(o=-0.43,f=-1.4) USER MOD Single : A 106 HIS : no HD1:sc=-0.00901 X(o=-0.009,f=-0.33) USER MOD Single : A 109 HIS : no HD1:sc= 0.0555 K(o=0.056,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.115 13.775 -18.057 1.00 0.00 N ATOM 2 CA MET A 1 -11.546 13.468 -16.663 1.00 0.00 C ATOM 3 C MET A 1 -10.367 12.874 -15.895 1.00 0.00 C ATOM 4 O MET A 1 -10.000 11.730 -16.079 1.00 0.00 O ATOM 5 CB MET A 1 -12.711 12.475 -16.700 1.00 0.00 C ATOM 6 CG MET A 1 -13.910 13.116 -17.413 1.00 0.00 C ATOM 7 SD MET A 1 -14.478 14.570 -16.492 1.00 0.00 S ATOM 8 CE MET A 1 -15.056 13.705 -15.010 1.00 0.00 C ATOM 0 H1 MET A 1 -11.757 14.480 -18.472 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.146 14.153 -18.046 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.141 12.906 -18.628 1.00 0.00 H new ATOM 0 HA MET A 1 -11.875 14.379 -16.163 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.410 11.565 -17.219 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.989 12.187 -15.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.629 13.404 -18.426 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.720 12.392 -17.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.005 14.133 -14.686 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.193 12.648 -15.236 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.319 13.813 -14.215 1.00 0.00 H new ATOM 20 N GLU A 2 -9.762 13.658 -15.043 1.00 0.00 N ATOM 21 CA GLU A 2 -8.592 13.162 -14.268 1.00 0.00 C ATOM 22 C GLU A 2 -9.071 12.289 -13.097 1.00 0.00 C ATOM 23 O GLU A 2 -10.161 12.468 -12.591 1.00 0.00 O ATOM 24 CB GLU A 2 -7.807 14.367 -13.726 1.00 0.00 C ATOM 25 CG GLU A 2 -6.881 14.910 -14.816 1.00 0.00 C ATOM 26 CD GLU A 2 -6.310 16.261 -14.384 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.880 16.867 -13.490 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.311 16.667 -14.954 1.00 0.00 O ATOM 0 H GLU A 2 -10.030 14.623 -14.851 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.952 12.563 -14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.496 15.146 -13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.224 14.071 -12.854 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.071 14.205 -15.002 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.430 15.019 -15.751 1.00 0.00 H new ATOM 35 N PRO A 3 -8.251 11.357 -12.664 1.00 0.00 N ATOM 36 CA PRO A 3 -8.592 10.451 -11.527 1.00 0.00 C ATOM 37 C PRO A 3 -8.650 11.199 -10.189 1.00 0.00 C ATOM 38 O PRO A 3 -8.162 12.303 -10.056 1.00 0.00 O ATOM 39 CB PRO A 3 -7.459 9.411 -11.535 1.00 0.00 C ATOM 40 CG PRO A 3 -6.305 10.100 -12.189 1.00 0.00 C ATOM 41 CD PRO A 3 -6.912 11.061 -13.210 1.00 0.00 C ATOM 0 HA PRO A 3 -9.580 10.005 -11.640 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.207 9.094 -10.523 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.748 8.516 -12.086 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.705 10.638 -11.455 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.645 9.381 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.313 11.966 -13.313 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.975 10.607 -14.199 1.00 0.00 H new ATOM 49 N GLN A 4 -9.259 10.601 -9.203 1.00 0.00 N ATOM 50 CA GLN A 4 -9.366 11.264 -7.875 1.00 0.00 C ATOM 51 C GLN A 4 -8.055 11.089 -7.105 1.00 0.00 C ATOM 52 O GLN A 4 -7.625 9.984 -6.832 1.00 0.00 O ATOM 53 CB GLN A 4 -10.516 10.631 -7.090 1.00 0.00 C ATOM 54 CG GLN A 4 -10.663 11.329 -5.736 1.00 0.00 C ATOM 55 CD GLN A 4 -11.860 10.741 -4.989 1.00 0.00 C ATOM 56 OE1 GLN A 4 -11.888 9.563 -4.694 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.857 11.519 -4.668 1.00 0.00 N ATOM 0 H GLN A 4 -9.689 9.678 -9.261 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.559 12.328 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.444 10.714 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.327 9.568 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.754 11.201 -5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.801 12.401 -5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.833 12.508 -4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.661 11.138 -4.169 1.00 0.00 H new ATOM 66 N LEU A 5 -7.416 12.175 -6.757 1.00 0.00 N ATOM 67 CA LEU A 5 -6.125 12.094 -6.012 1.00 0.00 C ATOM 68 C LEU A 5 -6.397 12.112 -4.511 1.00 0.00 C ATOM 69 O LEU A 5 -7.141 12.936 -4.011 1.00 0.00 O ATOM 70 CB LEU A 5 -5.254 13.296 -6.388 1.00 0.00 C ATOM 71 CG LEU A 5 -4.557 13.036 -7.733 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.471 11.942 -7.591 1.00 0.00 C ATOM 73 CD2 LEU A 5 -5.606 12.596 -8.765 1.00 0.00 C ATOM 0 H LEU A 5 -7.736 13.122 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.610 11.169 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.868 14.194 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.510 13.474 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.072 13.955 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.993 11.777 -8.556 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.723 12.263 -6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.931 11.014 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.119 12.410 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.093 11.683 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.351 13.382 -8.884 1.00 0.00 H new ATOM 85 N THR A 6 -5.795 11.201 -3.797 1.00 0.00 N ATOM 86 CA THR A 6 -5.988 11.126 -2.316 1.00 0.00 C ATOM 87 C THR A 6 -4.629 11.232 -1.626 1.00 0.00 C ATOM 88 O THR A 6 -3.636 10.717 -2.101 1.00 0.00 O ATOM 89 CB THR A 6 -6.655 9.798 -1.956 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.931 9.740 -2.574 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.819 9.712 -0.440 1.00 0.00 C ATOM 0 H THR A 6 -5.168 10.494 -4.180 1.00 0.00 H new ATOM 0 HA THR A 6 -6.625 11.946 -1.984 1.00 0.00 H new ATOM 0 HB THR A 6 -6.041 8.967 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.486 9.075 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.294 8.767 -0.179 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.840 9.770 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.440 10.538 -0.094 1.00 0.00 H new ATOM 99 N LYS A 7 -4.577 11.917 -0.511 1.00 0.00 N ATOM 100 CA LYS A 7 -3.289 12.087 0.217 1.00 0.00 C ATOM 101 C LYS A 7 -3.177 11.051 1.336 1.00 0.00 C ATOM 102 O LYS A 7 -4.162 10.604 1.890 1.00 0.00 O ATOM 103 CB LYS A 7 -3.258 13.485 0.833 1.00 0.00 C ATOM 104 CG LYS A 7 -3.266 14.535 -0.280 1.00 0.00 C ATOM 105 CD LYS A 7 -3.311 15.938 0.333 1.00 0.00 C ATOM 106 CE LYS A 7 -3.445 16.977 -0.781 1.00 0.00 C ATOM 107 NZ LYS A 7 -2.208 16.982 -1.612 1.00 0.00 N ATOM 0 H LYS A 7 -5.380 12.368 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.460 11.955 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.120 13.625 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.368 13.602 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.377 14.427 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.128 14.384 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.151 16.018 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.405 16.123 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.311 16.749 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.611 17.965 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.195 17.833 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.373 16.982 -0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.191 16.135 -2.215 1.00 0.00 H new ATOM 121 N ILE A 8 -1.976 10.666 1.660 1.00 0.00 N ATOM 122 CA ILE A 8 -1.766 9.645 2.730 1.00 0.00 C ATOM 123 C ILE A 8 -2.457 10.108 4.017 1.00 0.00 C ATOM 124 O ILE A 8 -3.140 9.354 4.680 1.00 0.00 O ATOM 125 CB ILE A 8 -0.266 9.502 2.994 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.474 9.252 1.673 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.016 8.335 3.951 1.00 0.00 C ATOM 128 CD1 ILE A 8 -0.135 8.057 0.934 1.00 0.00 C ATOM 0 H ILE A 8 -1.121 11.016 1.227 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.183 8.689 2.413 1.00 0.00 H new ATOM 0 HB ILE A 8 0.104 10.423 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.420 10.141 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.530 9.065 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.054 8.238 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.531 8.521 4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.393 7.413 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.402 7.895 -0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.057 7.166 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.184 8.259 0.719 1.00 0.00 H new ATOM 140 N VAL A 9 -2.279 11.348 4.365 1.00 0.00 N ATOM 141 CA VAL A 9 -2.921 11.888 5.600 1.00 0.00 C ATOM 142 C VAL A 9 -4.443 11.971 5.404 1.00 0.00 C ATOM 143 O VAL A 9 -5.190 12.180 6.341 1.00 0.00 O ATOM 144 CB VAL A 9 -2.364 13.283 5.888 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.832 14.258 4.805 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.861 13.761 7.254 1.00 0.00 C ATOM 0 H VAL A 9 -1.713 12.019 3.846 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.706 11.226 6.439 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.275 13.242 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.434 15.251 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.475 13.920 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.921 14.298 4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.464 14.755 7.458 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.950 13.799 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.524 13.070 8.026 1.00 0.00 H new ATOM 156 N ASP A 10 -4.908 11.808 4.191 1.00 0.00 N ATOM 157 CA ASP A 10 -6.379 11.870 3.917 1.00 0.00 C ATOM 158 C ASP A 10 -6.954 10.453 3.871 1.00 0.00 C ATOM 159 O ASP A 10 -8.122 10.253 3.588 1.00 0.00 O ATOM 160 CB ASP A 10 -6.609 12.566 2.574 1.00 0.00 C ATOM 161 CG ASP A 10 -6.338 14.066 2.724 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.279 14.529 3.851 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.193 14.727 1.709 1.00 0.00 O ATOM 0 H ASP A 10 -4.327 11.633 3.371 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.877 12.430 4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.952 12.141 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.633 12.402 2.238 1.00 0.00 H new ATOM 168 N ILE A 11 -6.143 9.466 4.143 1.00 0.00 N ATOM 169 CA ILE A 11 -6.636 8.063 4.111 1.00 0.00 C ATOM 170 C ILE A 11 -7.769 7.873 5.112 1.00 0.00 C ATOM 171 O ILE A 11 -8.915 7.742 4.730 1.00 0.00 O ATOM 172 CB ILE A 11 -5.490 7.109 4.472 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.477 7.090 3.332 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.028 5.689 4.697 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.181 6.429 3.812 1.00 0.00 C ATOM 0 H ILE A 11 -5.158 9.573 4.386 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.004 7.847 3.108 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.015 7.455 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.882 6.544 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.276 8.106 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.203 5.024 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.752 5.699 5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.512 5.335 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.456 6.415 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.774 6.994 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.390 5.407 4.130 1.00 0.00 H new ATOM 187 N VAL A 12 -7.446 7.852 6.388 1.00 0.00 N ATOM 188 CA VAL A 12 -8.463 7.649 7.464 1.00 0.00 C ATOM 189 C VAL A 12 -9.605 6.760 6.969 1.00 0.00 C ATOM 190 O VAL A 12 -10.738 6.896 7.384 1.00 0.00 O ATOM 191 CB VAL A 12 -8.991 9.002 7.949 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.899 9.702 8.765 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.363 9.880 6.753 1.00 0.00 C ATOM 0 H VAL A 12 -6.493 7.971 6.732 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.988 7.142 8.304 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.876 8.842 8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.268 10.667 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.633 9.084 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.019 9.854 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.737 10.840 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.482 10.042 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.135 9.385 6.164 1.00 0.00 H new ATOM 203 N GLU A 13 -9.309 5.838 6.084 1.00 0.00 N ATOM 204 CA GLU A 13 -10.367 4.932 5.562 1.00 0.00 C ATOM 205 C GLU A 13 -9.707 3.756 4.831 1.00 0.00 C ATOM 206 O GLU A 13 -9.088 3.923 3.797 1.00 0.00 O ATOM 207 CB GLU A 13 -11.254 5.703 4.588 1.00 0.00 C ATOM 208 CG GLU A 13 -12.394 4.799 4.123 1.00 0.00 C ATOM 209 CD GLU A 13 -13.305 5.567 3.165 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.196 6.781 3.121 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.096 4.927 2.492 1.00 0.00 O ATOM 0 H GLU A 13 -8.376 5.678 5.703 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.972 4.557 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.655 6.595 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.668 6.039 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.991 3.916 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.966 4.449 4.982 1.00 0.00 H new ATOM 218 N ASN A 14 -9.828 2.568 5.364 1.00 0.00 N ATOM 219 CA ASN A 14 -9.204 1.379 4.711 1.00 0.00 C ATOM 220 C ASN A 14 -10.160 0.793 3.672 1.00 0.00 C ATOM 221 O ASN A 14 -11.362 0.951 3.763 1.00 0.00 O ATOM 222 CB ASN A 14 -8.890 0.321 5.773 1.00 0.00 C ATOM 223 CG ASN A 14 -10.178 -0.131 6.464 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.262 0.085 5.958 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.105 -0.753 7.610 1.00 0.00 N ATOM 0 H ASN A 14 -10.334 2.370 6.227 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.283 1.684 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.397 -0.534 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.197 0.728 6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.957 -1.057 8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.196 -0.934 8.035 1.00 0.00 H new ATOM 232 N GLY A 15 -9.635 0.117 2.682 1.00 0.00 N ATOM 233 CA GLY A 15 -10.508 -0.479 1.636 1.00 0.00 C ATOM 234 C GLY A 15 -11.039 0.632 0.737 1.00 0.00 C ATOM 235 O GLY A 15 -12.072 0.497 0.112 1.00 0.00 O ATOM 0 H GLY A 15 -8.636 -0.046 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.947 -1.204 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.336 -1.016 2.099 1.00 0.00 H new ATOM 239 N GLN A 16 -10.341 1.739 0.673 1.00 0.00 N ATOM 240 CA GLN A 16 -10.803 2.878 -0.179 1.00 0.00 C ATOM 241 C GLN A 16 -10.084 2.856 -1.531 1.00 0.00 C ATOM 242 O GLN A 16 -8.901 2.581 -1.616 1.00 0.00 O ATOM 243 CB GLN A 16 -10.499 4.194 0.538 1.00 0.00 C ATOM 244 CG GLN A 16 -11.122 5.351 -0.243 1.00 0.00 C ATOM 245 CD GLN A 16 -10.829 6.678 0.467 1.00 0.00 C ATOM 246 OE1 GLN A 16 -11.323 7.712 0.062 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.040 6.695 1.513 1.00 0.00 N ATOM 0 H GLN A 16 -9.469 1.903 1.176 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.875 2.785 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.897 4.169 1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.421 4.335 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.721 5.375 -1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.199 5.205 -0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.625 5.827 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.841 7.576 1.987 1.00 0.00 H new ATOM 256 N TRP A 17 -10.801 3.151 -2.590 1.00 0.00 N ATOM 257 CA TRP A 17 -10.191 3.161 -3.952 1.00 0.00 C ATOM 258 C TRP A 17 -9.807 4.594 -4.315 1.00 0.00 C ATOM 259 O TRP A 17 -10.607 5.505 -4.233 1.00 0.00 O ATOM 260 CB TRP A 17 -11.210 2.625 -4.962 1.00 0.00 C ATOM 261 CG TRP A 17 -11.394 1.157 -4.741 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.376 0.597 -3.996 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.592 0.055 -5.254 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.228 -0.777 -4.021 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.143 -1.161 -4.785 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.452 -0.006 -6.075 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.581 -2.394 -5.119 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.884 -1.245 -6.412 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.448 -2.436 -5.937 1.00 0.00 C ATOM 0 H TRP A 17 -11.793 3.387 -2.565 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.301 2.532 -3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.161 3.144 -4.848 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.865 2.812 -5.979 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.149 1.136 -3.468 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.845 -1.428 -3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.011 0.906 -6.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.018 -3.309 -4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.007 -1.280 -7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.008 -3.386 -6.202 1.00 0.00 H new ATOM 280 N ALA A 18 -8.588 4.797 -4.730 1.00 0.00 N ATOM 281 CA ALA A 18 -8.153 6.168 -5.123 1.00 0.00 C ATOM 282 C ALA A 18 -6.862 6.090 -5.944 1.00 0.00 C ATOM 283 O ALA A 18 -6.416 5.022 -6.319 1.00 0.00 O ATOM 284 CB ALA A 18 -7.923 7.015 -3.875 1.00 0.00 C ATOM 0 H ALA A 18 -7.874 4.074 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.933 6.629 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.605 8.016 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.849 7.081 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.150 6.554 -3.260 1.00 0.00 H new ATOM 290 N ASN A 19 -6.250 7.220 -6.206 1.00 0.00 N ATOM 291 CA ASN A 19 -4.968 7.243 -6.981 1.00 0.00 C ATOM 292 C ASN A 19 -3.955 8.102 -6.222 1.00 0.00 C ATOM 293 O ASN A 19 -4.280 9.171 -5.740 1.00 0.00 O ATOM 294 CB ASN A 19 -5.214 7.843 -8.362 1.00 0.00 C ATOM 295 CG ASN A 19 -6.473 7.215 -8.953 1.00 0.00 C ATOM 296 OD1 ASN A 19 -7.566 7.469 -8.491 1.00 0.00 O ATOM 297 ND2 ASN A 19 -6.368 6.402 -9.964 1.00 0.00 N ATOM 0 H ASN A 19 -6.587 8.137 -5.913 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.585 6.229 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.330 8.924 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.359 7.658 -9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.204 5.979 -10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.450 6.188 -10.353 1.00 0.00 H new ATOM 304 N LEU A 20 -2.730 7.643 -6.097 1.00 0.00 N ATOM 305 CA LEU A 20 -1.699 8.430 -5.352 1.00 0.00 C ATOM 306 C LEU A 20 -0.360 8.377 -6.084 1.00 0.00 C ATOM 307 O LEU A 20 -0.021 7.394 -6.717 1.00 0.00 O ATOM 308 CB LEU A 20 -1.520 7.833 -3.958 1.00 0.00 C ATOM 309 CG LEU A 20 -2.870 7.846 -3.199 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.613 6.513 -3.397 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.625 8.061 -1.703 1.00 0.00 C ATOM 0 H LEU A 20 -2.402 6.756 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.031 9.466 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.147 6.812 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.775 8.403 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.478 8.659 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.559 6.540 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.806 6.358 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.001 5.695 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.579 8.069 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.003 7.253 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.118 9.014 -1.551 1.00 0.00 H new ATOM 323 N LYS A 21 0.407 9.432 -5.981 1.00 0.00 N ATOM 324 CA LYS A 21 1.744 9.486 -6.640 1.00 0.00 C ATOM 325 C LYS A 21 2.814 9.601 -5.556 1.00 0.00 C ATOM 326 O LYS A 21 2.705 10.397 -4.643 1.00 0.00 O ATOM 327 CB LYS A 21 1.809 10.706 -7.557 1.00 0.00 C ATOM 328 CG LYS A 21 3.058 10.611 -8.436 1.00 0.00 C ATOM 329 CD LYS A 21 3.223 11.898 -9.253 1.00 0.00 C ATOM 330 CE LYS A 21 2.132 11.990 -10.326 1.00 0.00 C ATOM 331 NZ LYS A 21 2.516 13.020 -11.331 1.00 0.00 N ATOM 0 H LYS A 21 0.157 10.272 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 21 1.909 8.586 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.915 10.756 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.836 11.620 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.939 10.450 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.978 9.754 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.169 12.765 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.207 11.915 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.001 11.023 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.177 12.250 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.064 12.802 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.204 13.957 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.549 13.021 -11.449 1.00 0.00 H new ATOM 345 N ALA A 22 3.842 8.804 -5.645 1.00 0.00 N ATOM 346 CA ALA A 22 4.914 8.861 -4.610 1.00 0.00 C ATOM 347 C ALA A 22 6.204 8.225 -5.125 1.00 0.00 C ATOM 348 O ALA A 22 6.227 7.530 -6.121 1.00 0.00 O ATOM 349 CB ALA A 22 4.454 8.120 -3.356 1.00 0.00 C ATOM 0 H ALA A 22 3.987 8.118 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 22 5.110 9.907 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.238 8.162 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.550 8.589 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.245 7.079 -3.604 1.00 0.00 H new ATOM 355 N LYS A 23 7.275 8.476 -4.425 1.00 0.00 N ATOM 356 CA LYS A 23 8.606 7.908 -4.829 1.00 0.00 C ATOM 357 C LYS A 23 8.989 6.765 -3.893 1.00 0.00 C ATOM 358 O LYS A 23 8.526 6.684 -2.777 1.00 0.00 O ATOM 359 CB LYS A 23 9.674 9.000 -4.783 1.00 0.00 C ATOM 360 CG LYS A 23 9.917 9.421 -3.339 1.00 0.00 C ATOM 361 CD LYS A 23 10.739 10.708 -3.317 1.00 0.00 C ATOM 362 CE LYS A 23 12.088 10.483 -4.003 1.00 0.00 C ATOM 363 NZ LYS A 23 12.654 9.175 -3.570 1.00 0.00 N ATOM 0 H LYS A 23 7.292 9.053 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 23 8.535 7.525 -5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.600 8.635 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.355 9.859 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.966 9.575 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.443 8.631 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.194 11.505 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.895 11.031 -2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.964 10.497 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.776 11.290 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.691 9.207 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.375 8.984 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.292 8.419 -4.186 1.00 0.00 H new ATOM 377 N VAL A 24 9.820 5.865 -4.349 1.00 0.00 N ATOM 378 CA VAL A 24 10.212 4.707 -3.487 1.00 0.00 C ATOM 379 C VAL A 24 11.431 5.064 -2.633 1.00 0.00 C ATOM 380 O VAL A 24 12.557 5.023 -3.088 1.00 0.00 O ATOM 381 CB VAL A 24 10.535 3.508 -4.381 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.167 2.385 -3.553 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.243 2.996 -5.019 1.00 0.00 C ATOM 0 H VAL A 24 10.244 5.880 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 24 9.386 4.459 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 24 11.238 3.819 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.392 1.538 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.088 2.745 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.472 2.072 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.466 2.141 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.547 2.693 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.794 3.789 -5.618 1.00 0.00 H new ATOM 393 N ILE A 25 11.210 5.404 -1.395 1.00 0.00 N ATOM 394 CA ILE A 25 12.346 5.757 -0.501 1.00 0.00 C ATOM 395 C ILE A 25 13.157 4.494 -0.200 1.00 0.00 C ATOM 396 O ILE A 25 14.345 4.555 0.043 1.00 0.00 O ATOM 397 CB ILE A 25 11.808 6.326 0.816 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.836 7.476 0.527 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.971 6.865 1.658 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.106 7.891 1.816 1.00 0.00 C ATOM 0 H ILE A 25 10.288 5.453 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 25 12.975 6.500 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 25 11.292 5.533 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.380 8.328 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.111 7.169 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.586 7.269 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.670 6.057 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.485 7.653 1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.419 8.708 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.547 7.041 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.835 8.218 2.558 1.00 0.00 H new ATOM 412 N GLN A 26 12.526 3.347 -0.212 1.00 0.00 N ATOM 413 CA GLN A 26 13.268 2.084 0.074 1.00 0.00 C ATOM 414 C GLN A 26 12.548 0.913 -0.598 1.00 0.00 C ATOM 415 O GLN A 26 11.334 0.847 -0.620 1.00 0.00 O ATOM 416 CB GLN A 26 13.326 1.832 1.586 1.00 0.00 C ATOM 417 CG GLN A 26 14.235 2.868 2.252 1.00 0.00 C ATOM 418 CD GLN A 26 14.472 2.477 3.712 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.761 1.333 4.008 1.00 0.00 O ATOM 420 NE2 GLN A 26 14.368 3.385 4.642 1.00 0.00 N ATOM 0 H GLN A 26 11.531 3.232 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 26 14.283 2.175 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.324 1.887 2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.700 0.827 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.185 2.928 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.778 3.856 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.126 4.344 4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.529 3.136 5.618 1.00 0.00 H new ATOM 429 N LEU A 27 13.301 -0.006 -1.149 1.00 0.00 N ATOM 430 CA LEU A 27 12.700 -1.195 -1.841 1.00 0.00 C ATOM 431 C LEU A 27 13.182 -2.483 -1.176 1.00 0.00 C ATOM 432 O LEU A 27 14.277 -2.553 -0.653 1.00 0.00 O ATOM 433 CB LEU A 27 13.124 -1.199 -3.323 1.00 0.00 C ATOM 434 CG LEU A 27 14.618 -1.572 -3.471 1.00 0.00 C ATOM 435 CD1 LEU A 27 14.995 -1.572 -4.951 1.00 0.00 C ATOM 436 CD2 LEU A 27 15.486 -0.559 -2.705 1.00 0.00 C ATOM 0 H LEU A 27 14.321 0.015 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 27 11.614 -1.136 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.511 -1.909 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.946 -0.216 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 27 14.789 -2.565 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.047 -1.835 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.383 -2.301 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.824 -0.580 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.537 -0.826 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.322 0.440 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.214 -0.572 -1.649 1.00 0.00 H new ATOM 448 N TRP A 28 12.377 -3.511 -1.205 1.00 0.00 N ATOM 449 CA TRP A 28 12.790 -4.808 -0.596 1.00 0.00 C ATOM 450 C TRP A 28 12.305 -5.962 -1.480 1.00 0.00 C ATOM 451 O TRP A 28 11.119 -6.208 -1.610 1.00 0.00 O ATOM 452 CB TRP A 28 12.180 -4.926 0.792 1.00 0.00 C ATOM 453 CG TRP A 28 12.685 -6.166 1.445 1.00 0.00 C ATOM 454 CD1 TRP A 28 11.976 -7.308 1.589 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.989 -6.415 2.046 1.00 0.00 C ATOM 456 NE1 TRP A 28 12.760 -8.242 2.238 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.010 -7.739 2.541 1.00 0.00 C ATOM 458 CE3 TRP A 28 15.145 -5.628 2.206 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.136 -8.265 3.174 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.281 -6.155 2.844 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.276 -7.471 3.327 1.00 0.00 C ATOM 0 H TRP A 28 11.448 -3.508 -1.626 1.00 0.00 H new ATOM 0 HA TRP A 28 13.876 -4.851 -0.517 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.439 -4.053 1.392 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.093 -4.954 0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 28 10.962 -7.465 1.252 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.453 -9.188 2.466 1.00 0.00 H new ATOM 0 HE3 TRP A 28 15.159 -4.613 1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.127 -9.280 3.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 17.163 -5.543 2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.152 -7.871 3.817 1.00 0.00 H new ATOM 472 N GLU A 29 13.221 -6.659 -2.091 1.00 0.00 N ATOM 473 CA GLU A 29 12.838 -7.800 -2.976 1.00 0.00 C ATOM 474 C GLU A 29 12.325 -8.959 -2.119 1.00 0.00 C ATOM 475 O GLU A 29 13.028 -9.472 -1.272 1.00 0.00 O ATOM 476 CB GLU A 29 14.059 -8.254 -3.784 1.00 0.00 C ATOM 477 CG GLU A 29 13.667 -9.403 -4.719 1.00 0.00 C ATOM 478 CD GLU A 29 14.880 -9.816 -5.553 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.946 -9.964 -4.978 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.724 -9.978 -6.752 1.00 0.00 O ATOM 0 H GLU A 29 14.224 -6.489 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 29 12.052 -7.482 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.453 -7.420 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.853 -8.576 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.305 -10.252 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.851 -9.093 -5.372 1.00 0.00 H new ATOM 487 N ASN A 30 11.103 -9.380 -2.333 1.00 0.00 N ATOM 488 CA ASN A 30 10.546 -10.511 -1.530 1.00 0.00 C ATOM 489 C ASN A 30 10.832 -11.828 -2.254 1.00 0.00 C ATOM 490 O ASN A 30 10.720 -11.917 -3.460 1.00 0.00 O ATOM 491 CB ASN A 30 9.033 -10.325 -1.384 1.00 0.00 C ATOM 492 CG ASN A 30 8.444 -11.486 -0.586 1.00 0.00 C ATOM 493 OD1 ASN A 30 8.181 -12.538 -1.131 1.00 0.00 O ATOM 494 ND2 ASN A 30 8.219 -11.338 0.691 1.00 0.00 N ATOM 0 H ASN A 30 10.468 -8.989 -3.029 1.00 0.00 H new ATOM 0 HA ASN A 30 11.008 -10.530 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.820 -9.381 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.567 -10.274 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.822 -12.107 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.440 -10.454 1.149 1.00 0.00 H new ATOM 501 N THR A 31 11.202 -12.855 -1.528 1.00 0.00 N ATOM 502 CA THR A 31 11.499 -14.170 -2.173 1.00 0.00 C ATOM 503 C THR A 31 10.303 -15.103 -1.979 1.00 0.00 C ATOM 504 O THR A 31 10.242 -16.176 -2.544 1.00 0.00 O ATOM 505 CB THR A 31 12.744 -14.784 -1.525 1.00 0.00 C ATOM 506 OG1 THR A 31 13.769 -13.802 -1.447 1.00 0.00 O ATOM 507 CG2 THR A 31 13.234 -15.966 -2.365 1.00 0.00 C ATOM 0 H THR A 31 11.311 -12.838 -0.514 1.00 0.00 H new ATOM 0 HA THR A 31 11.681 -14.028 -3.238 1.00 0.00 H new ATOM 0 HB THR A 31 12.494 -15.133 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.566 -14.193 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.120 -16.400 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.449 -16.720 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.483 -15.621 -3.369 1.00 0.00 H new ATOM 515 N HIS A 32 9.350 -14.698 -1.179 1.00 0.00 N ATOM 516 CA HIS A 32 8.155 -15.557 -0.943 1.00 0.00 C ATOM 517 C HIS A 32 7.182 -15.422 -2.124 1.00 0.00 C ATOM 518 O HIS A 32 7.053 -14.371 -2.720 1.00 0.00 O ATOM 519 CB HIS A 32 7.469 -15.116 0.354 1.00 0.00 C ATOM 520 CG HIS A 32 8.462 -15.174 1.487 1.00 0.00 C ATOM 521 ND1 HIS A 32 9.755 -14.686 1.366 1.00 0.00 N ATOM 522 CD2 HIS A 32 8.365 -15.659 2.769 1.00 0.00 C ATOM 523 CE1 HIS A 32 10.377 -14.885 2.544 1.00 0.00 C ATOM 524 NE2 HIS A 32 9.574 -15.475 3.433 1.00 0.00 N ATOM 0 H HIS A 32 9.350 -13.809 -0.680 1.00 0.00 H new ATOM 0 HA HIS A 32 8.461 -16.599 -0.855 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.080 -14.103 0.247 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.618 -15.763 0.567 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.484 -16.114 3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.400 -14.602 2.745 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.799 -15.735 4.393 1.00 0.00 H new ATOM 532 N GLU A 33 6.504 -16.488 -2.460 1.00 0.00 N ATOM 533 CA GLU A 33 5.537 -16.451 -3.599 1.00 0.00 C ATOM 534 C GLU A 33 4.317 -15.603 -3.229 1.00 0.00 C ATOM 535 O GLU A 33 3.739 -14.934 -4.063 1.00 0.00 O ATOM 536 CB GLU A 33 5.093 -17.877 -3.933 1.00 0.00 C ATOM 537 CG GLU A 33 4.427 -18.509 -2.708 1.00 0.00 C ATOM 538 CD GLU A 33 4.046 -19.957 -3.022 1.00 0.00 C ATOM 539 OE1 GLU A 33 4.164 -20.345 -4.173 1.00 0.00 O ATOM 540 OE2 GLU A 33 3.640 -20.654 -2.105 1.00 0.00 O ATOM 0 H GLU A 33 6.579 -17.391 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 33 6.023 -16.006 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.397 -17.865 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.952 -18.473 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.106 -18.477 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.539 -17.941 -2.430 1.00 0.00 H new ATOM 547 N SER A 34 3.913 -15.631 -1.988 1.00 0.00 N ATOM 548 CA SER A 34 2.727 -14.831 -1.578 1.00 0.00 C ATOM 549 C SER A 34 2.999 -13.350 -1.824 1.00 0.00 C ATOM 550 O SER A 34 2.177 -12.644 -2.370 1.00 0.00 O ATOM 551 CB SER A 34 2.467 -15.041 -0.088 1.00 0.00 C ATOM 552 OG SER A 34 2.123 -16.398 0.142 1.00 0.00 O ATOM 0 H SER A 34 4.352 -16.172 -1.243 1.00 0.00 H new ATOM 0 HA SER A 34 1.861 -15.149 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.353 -14.776 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.662 -14.388 0.248 1.00 0.00 H new ATOM 0 HG SER A 34 1.957 -16.536 1.098 1.00 0.00 H new ATOM 558 N ILE A 35 4.154 -12.877 -1.427 1.00 0.00 N ATOM 559 CA ILE A 35 4.501 -11.437 -1.623 1.00 0.00 C ATOM 560 C ILE A 35 5.564 -11.311 -2.710 1.00 0.00 C ATOM 561 O ILE A 35 6.526 -12.054 -2.749 1.00 0.00 O ATOM 562 CB ILE A 35 5.043 -10.862 -0.317 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.950 -10.924 0.753 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.453 -9.407 -0.544 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.553 -10.602 2.121 1.00 0.00 C ATOM 0 H ILE A 35 4.878 -13.433 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 35 3.608 -10.888 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 35 5.907 -11.439 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.156 -10.215 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.497 -11.915 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.841 -8.989 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.225 -9.362 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.586 -8.831 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.774 -10.647 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.331 -11.328 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.985 -9.601 2.102 1.00 0.00 H new ATOM 577 N SER A 36 5.389 -10.374 -3.600 1.00 0.00 N ATOM 578 CA SER A 36 6.372 -10.178 -4.702 1.00 0.00 C ATOM 579 C SER A 36 7.351 -9.066 -4.324 1.00 0.00 C ATOM 580 O SER A 36 8.554 -9.215 -4.436 1.00 0.00 O ATOM 581 CB SER A 36 5.619 -9.778 -5.967 1.00 0.00 C ATOM 582 OG SER A 36 6.539 -9.629 -7.038 1.00 0.00 O ATOM 0 H SER A 36 4.599 -9.729 -3.611 1.00 0.00 H new ATOM 0 HA SER A 36 6.925 -11.102 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.875 -10.535 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.081 -8.844 -5.803 1.00 0.00 H new ATOM 0 HG SER A 36 6.056 -9.374 -7.851 1.00 0.00 H new ATOM 588 N GLN A 37 6.846 -7.941 -3.886 1.00 0.00 N ATOM 589 CA GLN A 37 7.754 -6.820 -3.514 1.00 0.00 C ATOM 590 C GLN A 37 7.100 -5.938 -2.451 1.00 0.00 C ATOM 591 O GLN A 37 5.895 -5.785 -2.400 1.00 0.00 O ATOM 592 CB GLN A 37 8.040 -5.980 -4.760 1.00 0.00 C ATOM 593 CG GLN A 37 9.087 -4.917 -4.431 1.00 0.00 C ATOM 594 CD GLN A 37 9.371 -4.078 -5.676 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.462 -3.690 -6.384 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.605 -3.779 -5.976 1.00 0.00 N ATOM 0 H GLN A 37 5.850 -7.753 -3.771 1.00 0.00 H new ATOM 0 HA GLN A 37 8.681 -7.228 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.397 -6.619 -5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.123 -5.506 -5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.731 -4.278 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.004 -5.391 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.368 -4.105 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.807 -3.220 -6.805 1.00 0.00 H new ATOM 605 N VAL A 38 7.901 -5.345 -1.609 1.00 0.00 N ATOM 606 CA VAL A 38 7.360 -4.449 -0.543 1.00 0.00 C ATOM 607 C VAL A 38 8.355 -3.316 -0.301 1.00 0.00 C ATOM 608 O VAL A 38 9.554 -3.514 -0.338 1.00 0.00 O ATOM 609 CB VAL A 38 7.160 -5.247 0.747 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.511 -5.767 1.247 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.533 -4.344 1.813 1.00 0.00 C ATOM 0 H VAL A 38 8.916 -5.443 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 38 6.401 -4.037 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 38 6.500 -6.092 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.365 -6.335 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.956 -6.412 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.175 -4.925 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.390 -4.912 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.193 -3.498 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.569 -3.978 1.459 1.00 0.00 H new ATOM 621 N GLY A 39 7.876 -2.128 -0.055 1.00 0.00 N ATOM 622 CA GLY A 39 8.815 -0.998 0.181 1.00 0.00 C ATOM 623 C GLY A 39 8.076 0.163 0.846 1.00 0.00 C ATOM 624 O GLY A 39 7.012 -0.005 1.414 1.00 0.00 O ATOM 0 H GLY A 39 6.885 -1.893 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.640 -1.325 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.249 -0.671 -0.764 1.00 0.00 H new ATOM 628 N LEU A 40 8.649 1.341 0.780 1.00 0.00 N ATOM 629 CA LEU A 40 8.018 2.547 1.409 1.00 0.00 C ATOM 630 C LEU A 40 7.752 3.598 0.336 1.00 0.00 C ATOM 631 O LEU A 40 8.502 3.731 -0.612 1.00 0.00 O ATOM 632 CB LEU A 40 8.971 3.133 2.460 1.00 0.00 C ATOM 633 CG LEU A 40 8.929 2.278 3.738 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.540 0.874 3.490 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.701 3.008 4.845 1.00 0.00 C ATOM 0 H LEU A 40 9.537 1.521 0.312 1.00 0.00 H new ATOM 0 HA LEU A 40 7.080 2.259 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.987 3.164 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.687 4.160 2.689 1.00 0.00 H new ATOM 0 HG LEU A 40 7.891 2.136 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.497 0.291 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.974 0.364 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.578 0.979 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.679 2.412 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.735 3.154 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.238 3.977 5.033 1.00 0.00 H new ATOM 647 N LEU A 41 6.688 4.348 0.480 1.00 0.00 N ATOM 648 CA LEU A 41 6.354 5.399 -0.525 1.00 0.00 C ATOM 649 C LEU A 41 6.604 6.767 0.098 1.00 0.00 C ATOM 650 O LEU A 41 6.082 7.092 1.148 1.00 0.00 O ATOM 651 CB LEU A 41 4.878 5.272 -0.912 1.00 0.00 C ATOM 652 CG LEU A 41 4.611 3.860 -1.444 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.126 3.716 -1.788 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.465 3.597 -2.700 1.00 0.00 C ATOM 0 H LEU A 41 6.032 4.275 1.258 1.00 0.00 H new ATOM 0 HA LEU A 41 6.972 5.281 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.245 5.472 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.625 6.012 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 41 4.879 3.133 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.936 2.712 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.527 3.886 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.856 4.448 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.268 2.591 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.211 4.324 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.521 3.690 -2.448 1.00 0.00 H new ATOM 666 N GLY A 42 7.415 7.563 -0.545 1.00 0.00 N ATOM 667 CA GLY A 42 7.742 8.918 -0.015 1.00 0.00 C ATOM 668 C GLY A 42 6.832 9.968 -0.646 1.00 0.00 C ATOM 669 O GLY A 42 7.092 10.450 -1.731 1.00 0.00 O ATOM 0 H GLY A 42 7.871 7.329 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.625 8.930 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.784 9.156 -0.226 1.00 0.00 H new ATOM 673 N ASP A 43 5.768 10.337 0.024 1.00 0.00 N ATOM 674 CA ASP A 43 4.844 11.371 -0.530 1.00 0.00 C ATOM 675 C ASP A 43 5.133 12.717 0.133 1.00 0.00 C ATOM 676 O ASP A 43 5.735 12.789 1.187 1.00 0.00 O ATOM 677 CB ASP A 43 3.398 10.969 -0.247 1.00 0.00 C ATOM 678 CG ASP A 43 2.458 11.955 -0.941 1.00 0.00 C ATOM 679 OD1 ASP A 43 2.933 12.702 -1.779 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.281 11.949 -0.619 1.00 0.00 O ATOM 0 H ASP A 43 5.500 9.964 0.935 1.00 0.00 H new ATOM 0 HA ASP A 43 4.995 11.452 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.212 9.957 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.212 10.965 0.827 1.00 0.00 H new ATOM 685 N GLU A 44 4.704 13.782 -0.485 1.00 0.00 N ATOM 686 CA GLU A 44 4.937 15.139 0.082 1.00 0.00 C ATOM 687 C GLU A 44 4.076 15.335 1.332 1.00 0.00 C ATOM 688 O GLU A 44 4.349 16.183 2.159 1.00 0.00 O ATOM 689 CB GLU A 44 4.555 16.181 -0.968 1.00 0.00 C ATOM 690 CG GLU A 44 4.847 17.586 -0.439 1.00 0.00 C ATOM 691 CD GLU A 44 4.519 18.614 -1.523 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.897 18.235 -2.502 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.895 19.762 -1.356 1.00 0.00 O ATOM 0 H GLU A 44 4.196 13.769 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 44 5.987 15.249 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.114 16.006 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.498 16.089 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.254 17.781 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.895 17.667 -0.150 1.00 0.00 H new ATOM 700 N THR A 45 3.035 14.559 1.477 1.00 0.00 N ATOM 701 CA THR A 45 2.149 14.700 2.668 1.00 0.00 C ATOM 702 C THR A 45 2.627 13.755 3.769 1.00 0.00 C ATOM 703 O THR A 45 2.214 13.855 4.907 1.00 0.00 O ATOM 704 CB THR A 45 0.710 14.351 2.267 1.00 0.00 C ATOM 705 OG1 THR A 45 0.638 12.974 1.917 1.00 0.00 O ATOM 706 CG2 THR A 45 0.273 15.213 1.071 1.00 0.00 C ATOM 0 H THR A 45 2.760 13.830 0.818 1.00 0.00 H new ATOM 0 HA THR A 45 2.183 15.725 3.038 1.00 0.00 H new ATOM 0 HB THR A 45 0.045 14.549 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.892 12.862 0.977 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.750 14.958 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.323 16.267 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.936 15.026 0.226 1.00 0.00 H new ATOM 714 N GLY A 46 3.509 12.846 3.447 1.00 0.00 N ATOM 715 CA GLY A 46 4.019 11.913 4.490 1.00 0.00 C ATOM 716 C GLY A 46 4.579 10.652 3.834 1.00 0.00 C ATOM 717 O GLY A 46 5.019 10.671 2.700 1.00 0.00 O ATOM 0 H GLY A 46 3.895 12.711 2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.795 12.402 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.216 11.649 5.178 1.00 0.00 H new ATOM 721 N ILE A 47 4.566 9.552 4.546 1.00 0.00 N ATOM 722 CA ILE A 47 5.095 8.272 3.984 1.00 0.00 C ATOM 723 C ILE A 47 4.149 7.122 4.328 1.00 0.00 C ATOM 724 O ILE A 47 3.357 7.207 5.247 1.00 0.00 O ATOM 725 CB ILE A 47 6.483 7.992 4.573 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.381 7.785 6.090 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.403 9.184 4.289 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.784 7.595 6.670 1.00 0.00 C ATOM 0 H ILE A 47 4.209 9.486 5.499 1.00 0.00 H new ATOM 0 HA ILE A 47 5.170 8.359 2.900 1.00 0.00 H new ATOM 0 HB ILE A 47 6.889 7.090 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.896 8.644 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.763 6.914 6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.391 8.989 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.486 9.331 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.987 10.082 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.715 7.448 7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.251 6.722 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.386 8.479 6.462 1.00 0.00 H new ATOM 740 N ILE A 48 4.231 6.042 3.600 1.00 0.00 N ATOM 741 CA ILE A 48 3.342 4.881 3.887 1.00 0.00 C ATOM 742 C ILE A 48 3.944 3.607 3.291 1.00 0.00 C ATOM 743 O ILE A 48 4.583 3.632 2.259 1.00 0.00 O ATOM 744 CB ILE A 48 1.958 5.133 3.293 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.047 3.948 3.617 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.063 5.301 1.778 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.407 4.334 3.345 1.00 0.00 C ATOM 0 H ILE A 48 4.875 5.914 2.819 1.00 0.00 H new ATOM 0 HA ILE A 48 3.249 4.757 4.966 1.00 0.00 H new ATOM 0 HB ILE A 48 1.541 6.044 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.325 3.086 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.168 3.657 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.071 5.480 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.711 6.147 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.482 4.395 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.057 3.490 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.681 5.184 3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.522 4.604 2.295 1.00 0.00 H new ATOM 759 N LYS A 49 3.747 2.491 3.941 1.00 0.00 N ATOM 760 CA LYS A 49 4.301 1.210 3.427 1.00 0.00 C ATOM 761 C LYS A 49 3.286 0.535 2.506 1.00 0.00 C ATOM 762 O LYS A 49 2.114 0.454 2.826 1.00 0.00 O ATOM 763 CB LYS A 49 4.589 0.292 4.616 1.00 0.00 C ATOM 764 CG LYS A 49 5.646 -0.742 4.226 1.00 0.00 C ATOM 765 CD LYS A 49 6.043 -1.574 5.452 1.00 0.00 C ATOM 766 CE LYS A 49 5.067 -2.742 5.629 1.00 0.00 C ATOM 767 NZ LYS A 49 5.108 -3.604 4.413 1.00 0.00 N ATOM 0 H LYS A 49 3.222 2.414 4.812 1.00 0.00 H new ATOM 0 HA LYS A 49 5.215 1.405 2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.938 0.880 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.674 -0.210 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.257 -1.394 3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.523 -0.241 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.058 -1.952 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.039 -0.948 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.334 -3.324 6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.056 -2.366 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.844 -4.577 4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.439 -3.238 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.069 -3.599 4.016 1.00 0.00 H new ATOM 781 N PHE A 50 3.716 0.040 1.368 1.00 0.00 N ATOM 782 CA PHE A 50 2.776 -0.636 0.425 1.00 0.00 C ATOM 783 C PHE A 50 3.367 -1.995 0.034 1.00 0.00 C ATOM 784 O PHE A 50 4.561 -2.217 0.128 1.00 0.00 O ATOM 785 CB PHE A 50 2.597 0.240 -0.828 1.00 0.00 C ATOM 786 CG PHE A 50 3.785 0.085 -1.763 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.067 0.467 -1.349 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.599 -0.449 -3.045 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.158 0.315 -2.211 1.00 0.00 C ATOM 790 CE2 PHE A 50 4.690 -0.598 -3.907 1.00 0.00 C ATOM 791 CZ PHE A 50 5.969 -0.217 -3.490 1.00 0.00 C ATOM 0 H PHE A 50 4.685 0.077 1.053 1.00 0.00 H new ATOM 0 HA PHE A 50 1.805 -0.782 0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.680 -0.041 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.491 1.285 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.214 0.880 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.612 -0.746 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.146 0.609 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.545 -1.008 -4.896 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.811 -0.334 -4.156 1.00 0.00 H new ATOM 801 N THR A 51 2.530 -2.905 -0.393 1.00 0.00 N ATOM 802 CA THR A 51 3.009 -4.263 -0.789 1.00 0.00 C ATOM 803 C THR A 51 2.394 -4.657 -2.133 1.00 0.00 C ATOM 804 O THR A 51 1.206 -4.523 -2.352 1.00 0.00 O ATOM 805 CB THR A 51 2.589 -5.269 0.280 1.00 0.00 C ATOM 806 OG1 THR A 51 3.149 -4.881 1.527 1.00 0.00 O ATOM 807 CG2 THR A 51 3.099 -6.658 -0.100 1.00 0.00 C ATOM 0 H THR A 51 1.524 -2.763 -0.485 1.00 0.00 H new ATOM 0 HA THR A 51 4.095 -4.255 -0.883 1.00 0.00 H new ATOM 0 HB THR A 51 1.502 -5.294 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.882 -5.522 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.800 -7.377 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.676 -6.951 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.186 -6.639 -0.174 1.00 0.00 H new ATOM 815 N ILE A 52 3.204 -5.143 -3.036 1.00 0.00 N ATOM 816 CA ILE A 52 2.691 -5.551 -4.379 1.00 0.00 C ATOM 817 C ILE A 52 2.469 -7.064 -4.408 1.00 0.00 C ATOM 818 O ILE A 52 3.342 -7.839 -4.065 1.00 0.00 O ATOM 819 CB ILE A 52 3.712 -5.168 -5.449 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.824 -3.641 -5.517 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.261 -5.709 -6.807 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.022 -3.238 -6.388 1.00 0.00 C ATOM 0 H ILE A 52 4.206 -5.276 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 52 1.746 -5.043 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 52 4.682 -5.595 -5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.907 -3.219 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.940 -3.232 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.991 -5.435 -7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.179 -6.795 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.291 -5.284 -7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.092 -2.151 -6.430 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.937 -3.645 -5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.888 -3.632 -7.396 1.00 0.00 H new ATOM 834 N TRP A 53 1.298 -7.488 -4.804 1.00 0.00 N ATOM 835 CA TRP A 53 0.997 -8.945 -4.846 1.00 0.00 C ATOM 836 C TRP A 53 1.473 -9.554 -6.167 1.00 0.00 C ATOM 837 O TRP A 53 1.423 -8.931 -7.210 1.00 0.00 O ATOM 838 CB TRP A 53 -0.514 -9.140 -4.715 1.00 0.00 C ATOM 839 CG TRP A 53 -0.942 -8.755 -3.336 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.594 -7.616 -3.012 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.754 -9.487 -2.094 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.817 -7.603 -1.647 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.317 -8.735 -1.037 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.154 -10.718 -1.786 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.286 -9.191 0.281 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.120 -11.182 -0.462 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.684 -10.419 0.570 1.00 0.00 C ATOM 0 H TRP A 53 0.534 -6.882 -5.102 1.00 0.00 H new ATOM 0 HA TRP A 53 1.517 -9.441 -4.026 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -1.036 -8.532 -5.454 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.777 -10.179 -4.913 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.892 -6.843 -3.705 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.293 -6.849 -1.152 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.285 -11.312 -2.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.724 -8.600 1.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.343 -12.131 -0.237 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.653 -10.780 1.588 1.00 0.00 H new ATOM 858 N LYS A 54 1.924 -10.779 -6.123 1.00 0.00 N ATOM 859 CA LYS A 54 2.402 -11.463 -7.358 1.00 0.00 C ATOM 860 C LYS A 54 1.257 -11.551 -8.368 1.00 0.00 C ATOM 861 O LYS A 54 1.458 -11.435 -9.562 1.00 0.00 O ATOM 862 CB LYS A 54 2.865 -12.879 -6.993 1.00 0.00 C ATOM 863 CG LYS A 54 3.719 -13.454 -8.123 1.00 0.00 C ATOM 864 CD LYS A 54 4.257 -14.824 -7.704 1.00 0.00 C ATOM 865 CE LYS A 54 5.081 -15.424 -8.846 1.00 0.00 C ATOM 866 NZ LYS A 54 6.414 -14.760 -8.897 1.00 0.00 N ATOM 0 H LYS A 54 1.982 -11.341 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 54 3.228 -10.902 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.439 -12.856 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.001 -13.519 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.125 -13.546 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.545 -12.780 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.873 -14.726 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.431 -15.488 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.202 -16.497 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.560 -15.291 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.011 -15.234 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.294 -13.761 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.868 -14.821 -7.963 1.00 0.00 H new ATOM 880 N ASN A 55 0.061 -11.762 -7.897 1.00 0.00 N ATOM 881 CA ASN A 55 -1.100 -11.871 -8.821 1.00 0.00 C ATOM 882 C ASN A 55 -1.247 -10.578 -9.628 1.00 0.00 C ATOM 883 O ASN A 55 -2.022 -10.508 -10.559 1.00 0.00 O ATOM 884 CB ASN A 55 -2.369 -12.112 -8.002 1.00 0.00 C ATOM 885 CG ASN A 55 -2.318 -13.511 -7.383 1.00 0.00 C ATOM 886 OD1 ASN A 55 -2.721 -13.702 -6.253 1.00 0.00 O ATOM 887 ND2 ASN A 55 -1.839 -14.505 -8.082 1.00 0.00 N ATOM 0 H ASN A 55 -0.163 -11.864 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.941 -12.702 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.458 -11.359 -7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.249 -12.016 -8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.803 -15.441 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.501 -14.345 -9.031 1.00 0.00 H new ATOM 894 N ALA A 56 -0.503 -9.558 -9.285 1.00 0.00 N ATOM 895 CA ALA A 56 -0.590 -8.276 -10.042 1.00 0.00 C ATOM 896 C ALA A 56 0.356 -8.341 -11.246 1.00 0.00 C ATOM 897 O ALA A 56 0.148 -7.687 -12.250 1.00 0.00 O ATOM 898 CB ALA A 56 -0.179 -7.121 -9.123 1.00 0.00 C ATOM 0 H ALA A 56 0.162 -9.559 -8.512 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.610 -8.116 -10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.240 -6.181 -9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.848 -7.084 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.844 -7.275 -8.780 1.00 0.00 H new ATOM 904 N GLU A 57 1.393 -9.134 -11.144 1.00 0.00 N ATOM 905 CA GLU A 57 2.366 -9.265 -12.267 1.00 0.00 C ATOM 906 C GLU A 57 2.871 -7.888 -12.678 1.00 0.00 C ATOM 907 O GLU A 57 2.849 -7.533 -13.841 1.00 0.00 O ATOM 908 CB GLU A 57 1.688 -9.945 -13.457 1.00 0.00 C ATOM 909 CG GLU A 57 1.383 -11.398 -13.094 1.00 0.00 C ATOM 910 CD GLU A 57 0.610 -12.066 -14.231 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.360 -11.399 -15.224 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.280 -13.232 -14.092 1.00 0.00 O ATOM 0 H GLU A 57 1.607 -9.700 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 57 3.212 -9.870 -11.940 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.768 -9.421 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.336 -9.904 -14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.311 -11.938 -12.907 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.800 -11.438 -12.174 1.00 0.00 H new ATOM 919 N LEU A 58 3.334 -7.109 -11.730 1.00 0.00 N ATOM 920 CA LEU A 58 3.853 -5.741 -12.049 1.00 0.00 C ATOM 921 C LEU A 58 5.389 -5.735 -11.981 1.00 0.00 C ATOM 922 O LEU A 58 5.978 -6.465 -11.206 1.00 0.00 O ATOM 923 CB LEU A 58 3.303 -4.745 -11.027 1.00 0.00 C ATOM 924 CG LEU A 58 1.777 -4.645 -11.176 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.184 -4.026 -9.911 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.402 -3.776 -12.394 1.00 0.00 C ATOM 0 H LEU A 58 3.375 -7.364 -10.743 1.00 0.00 H new ATOM 0 HA LEU A 58 3.535 -5.461 -13.053 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.560 -5.065 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.758 -3.766 -11.177 1.00 0.00 H new ATOM 0 HG LEU A 58 1.375 -5.647 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.101 -3.954 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.426 -4.652 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.601 -3.030 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.317 -3.719 -12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.809 -2.773 -12.264 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.815 -4.221 -13.299 1.00 0.00 H new ATOM 938 N PRO A 59 6.035 -4.914 -12.780 1.00 0.00 N ATOM 939 CA PRO A 59 7.528 -4.811 -12.795 1.00 0.00 C ATOM 940 C PRO A 59 8.091 -4.194 -11.506 1.00 0.00 C ATOM 941 O PRO A 59 7.386 -3.566 -10.742 1.00 0.00 O ATOM 942 CB PRO A 59 7.828 -3.921 -14.016 1.00 0.00 C ATOM 943 CG PRO A 59 6.579 -3.128 -14.246 1.00 0.00 C ATOM 944 CD PRO A 59 5.418 -3.997 -13.760 1.00 0.00 C ATOM 0 HA PRO A 59 7.998 -5.792 -12.856 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.679 -3.267 -13.826 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.077 -4.523 -14.890 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.612 -2.185 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.464 -2.882 -15.302 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.634 -3.394 -13.302 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.959 -4.545 -14.583 1.00 0.00 H new ATOM 952 N LEU A 60 9.360 -4.389 -11.264 1.00 0.00 N ATOM 953 CA LEU A 60 9.991 -3.838 -10.032 1.00 0.00 C ATOM 954 C LEU A 60 10.155 -2.322 -10.149 1.00 0.00 C ATOM 955 O LEU A 60 10.479 -1.794 -11.195 1.00 0.00 O ATOM 956 CB LEU A 60 11.363 -4.484 -9.846 1.00 0.00 C ATOM 957 CG LEU A 60 11.212 -6.010 -9.811 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.596 -6.652 -9.685 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.334 -6.427 -8.615 1.00 0.00 C ATOM 0 H LEU A 60 9.990 -4.911 -11.873 1.00 0.00 H new ATOM 0 HA LEU A 60 9.353 -4.056 -9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.027 -4.193 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.820 -4.132 -8.921 1.00 0.00 H new ATOM 0 HG LEU A 60 10.735 -6.346 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.493 -7.737 -9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.209 -6.366 -10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.073 -6.311 -8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.233 -7.512 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.799 -6.092 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.348 -5.972 -8.711 1.00 0.00 H new ATOM 971 N LEU A 61 9.926 -1.628 -9.068 1.00 0.00 N ATOM 972 CA LEU A 61 10.051 -0.143 -9.072 1.00 0.00 C ATOM 973 C LEU A 61 11.511 0.255 -8.845 1.00 0.00 C ATOM 974 O LEU A 61 12.292 -0.497 -8.294 1.00 0.00 O ATOM 975 CB LEU A 61 9.186 0.439 -7.953 1.00 0.00 C ATOM 976 CG LEU A 61 7.717 0.418 -8.379 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.278 -1.025 -8.666 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.860 1.004 -7.255 1.00 0.00 C ATOM 0 H LEU A 61 9.654 -2.032 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 61 9.719 0.245 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.319 -0.139 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.497 1.460 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 61 7.592 1.013 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.231 -1.033 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.891 -1.439 -9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.400 -1.628 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.812 0.992 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.988 0.408 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.170 2.031 -7.059 1.00 0.00 H new ATOM 990 N GLU A 62 11.886 1.436 -9.271 1.00 0.00 N ATOM 991 CA GLU A 62 13.296 1.898 -9.092 1.00 0.00 C ATOM 992 C GLU A 62 13.384 2.834 -7.884 1.00 0.00 C ATOM 993 O GLU A 62 12.618 3.768 -7.744 1.00 0.00 O ATOM 994 CB GLU A 62 13.746 2.641 -10.350 1.00 0.00 C ATOM 995 CG GLU A 62 15.216 3.029 -10.207 1.00 0.00 C ATOM 996 CD GLU A 62 15.697 3.699 -11.493 1.00 0.00 C ATOM 997 OE1 GLU A 62 15.015 4.595 -11.961 1.00 0.00 O ATOM 998 OE2 GLU A 62 16.737 3.302 -11.989 1.00 0.00 O ATOM 0 H GLU A 62 11.272 2.103 -9.738 1.00 0.00 H new ATOM 0 HA GLU A 62 13.942 1.037 -8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.608 2.010 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.135 3.532 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.343 3.706 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.818 2.144 -9.999 1.00 0.00 H new ATOM 1005 N GLN A 63 14.310 2.569 -7.004 1.00 0.00 N ATOM 1006 CA GLN A 63 14.463 3.410 -5.780 1.00 0.00 C ATOM 1007 C GLN A 63 14.899 4.826 -6.155 1.00 0.00 C ATOM 1008 O GLN A 63 15.754 5.025 -6.998 1.00 0.00 O ATOM 1009 CB GLN A 63 15.511 2.787 -4.858 1.00 0.00 C ATOM 1010 CG GLN A 63 15.569 3.578 -3.549 1.00 0.00 C ATOM 1011 CD GLN A 63 16.564 2.924 -2.591 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.923 1.774 -2.755 1.00 0.00 O ATOM 1013 NE2 GLN A 63 17.035 3.616 -1.591 1.00 0.00 N ATOM 0 H GLN A 63 14.974 1.799 -7.080 1.00 0.00 H new ATOM 0 HA GLN A 63 13.502 3.459 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.261 1.746 -4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.487 2.792 -5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.866 4.608 -3.749 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.580 3.614 -3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.735 4.581 -1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.704 3.192 -0.948 1.00 0.00 H new ATOM 1022 N GLY A 64 14.320 5.818 -5.525 1.00 0.00 N ATOM 1023 CA GLY A 64 14.693 7.227 -5.824 1.00 0.00 C ATOM 1024 C GLY A 64 13.875 7.727 -7.009 1.00 0.00 C ATOM 1025 O GLY A 64 13.874 8.903 -7.318 1.00 0.00 O ATOM 0 H GLY A 64 13.600 5.707 -4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.512 7.856 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.757 7.293 -6.049 1.00 0.00 H new ATOM 1029 N GLU A 65 13.183 6.846 -7.686 1.00 0.00 N ATOM 1030 CA GLU A 65 12.374 7.272 -8.865 1.00 0.00 C ATOM 1031 C GLU A 65 10.924 7.538 -8.447 1.00 0.00 C ATOM 1032 O GLU A 65 10.407 6.958 -7.504 1.00 0.00 O ATOM 1033 CB GLU A 65 12.409 6.164 -9.922 1.00 0.00 C ATOM 1034 CG GLU A 65 11.881 6.703 -11.254 1.00 0.00 C ATOM 1035 CD GLU A 65 12.893 7.689 -11.841 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.976 7.791 -11.291 1.00 0.00 O ATOM 1037 OE2 GLU A 65 12.566 8.327 -12.828 1.00 0.00 O ATOM 0 H GLU A 65 13.144 5.849 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 65 12.793 8.191 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.428 5.798 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.804 5.318 -9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.712 5.881 -11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.921 7.197 -11.104 1.00 0.00 H new ATOM 1044 N SER A 66 10.274 8.419 -9.163 1.00 0.00 N ATOM 1045 CA SER A 66 8.853 8.755 -8.867 1.00 0.00 C ATOM 1046 C SER A 66 7.940 7.745 -9.561 1.00 0.00 C ATOM 1047 O SER A 66 8.185 7.346 -10.686 1.00 0.00 O ATOM 1048 CB SER A 66 8.541 10.161 -9.383 1.00 0.00 C ATOM 1049 OG SER A 66 9.056 11.111 -8.465 1.00 0.00 O ATOM 0 H SER A 66 10.676 8.926 -9.952 1.00 0.00 H new ATOM 0 HA SER A 66 8.687 8.720 -7.790 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.985 10.309 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.465 10.291 -9.496 1.00 0.00 H new ATOM 0 HG SER A 66 8.543 11.943 -8.533 1.00 0.00 H new ATOM 1055 N TYR A 67 6.883 7.335 -8.902 1.00 0.00 N ATOM 1056 CA TYR A 67 5.935 6.347 -9.509 1.00 0.00 C ATOM 1057 C TYR A 67 4.497 6.816 -9.301 1.00 0.00 C ATOM 1058 O TYR A 67 4.143 7.358 -8.271 1.00 0.00 O ATOM 1059 CB TYR A 67 6.120 4.977 -8.839 1.00 0.00 C ATOM 1060 CG TYR A 67 7.296 4.263 -9.458 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.148 3.642 -10.701 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.525 4.217 -8.793 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.228 2.973 -11.283 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.607 3.547 -9.375 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.458 2.924 -10.621 1.00 0.00 C ATOM 1066 OH TYR A 67 10.525 2.268 -11.196 1.00 0.00 O ATOM 0 H TYR A 67 6.634 7.645 -7.963 1.00 0.00 H new ATOM 0 HA TYR A 67 6.141 6.265 -10.576 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.282 5.104 -7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.216 4.379 -8.956 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.198 3.679 -11.213 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.639 4.697 -7.832 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.112 2.494 -12.244 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.557 3.510 -8.863 1.00 0.00 H new ATOM 0 HH TYR A 67 11.198 2.922 -11.477 1.00 0.00 H new ATOM 1076 N LEU A 68 3.670 6.587 -10.282 1.00 0.00 N ATOM 1077 CA LEU A 68 2.236 6.982 -10.190 1.00 0.00 C ATOM 1078 C LEU A 68 1.414 5.710 -10.031 1.00 0.00 C ATOM 1079 O LEU A 68 1.554 4.782 -10.798 1.00 0.00 O ATOM 1080 CB LEU A 68 1.828 7.734 -11.465 1.00 0.00 C ATOM 1081 CG LEU A 68 0.305 7.887 -11.533 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.198 8.599 -10.272 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.060 8.720 -12.763 1.00 0.00 C ATOM 0 H LEU A 68 3.931 6.135 -11.158 1.00 0.00 H new ATOM 0 HA LEU A 68 2.067 7.642 -9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.299 8.717 -11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.185 7.195 -12.342 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.158 6.902 -11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.281 8.707 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.068 8.012 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.262 9.585 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.143 8.833 -12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.404 9.703 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.298 8.218 -13.662 1.00 0.00 H new ATOM 1095 N LEU A 69 0.566 5.653 -9.034 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.264 4.433 -8.805 1.00 0.00 C ATOM 1097 C LEU A 69 -1.732 4.759 -9.067 1.00 0.00 C ATOM 1098 O LEU A 69 -2.315 5.605 -8.413 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.101 3.997 -7.353 1.00 0.00 C ATOM 1100 CG LEU A 69 1.390 3.898 -7.013 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.552 3.513 -5.543 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.055 2.836 -7.901 1.00 0.00 C ATOM 0 H LEU A 69 0.413 6.407 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 69 0.056 3.636 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.589 4.712 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.586 3.034 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 69 1.866 4.862 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.612 3.442 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.086 4.272 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.074 2.550 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.115 2.769 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.581 1.870 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.942 3.115 -8.949 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.326 4.098 -10.029 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.763 4.355 -10.368 1.00 0.00 C ATOM 1116 C ARG A 70 -4.611 3.126 -10.056 1.00 0.00 C ATOM 1117 O ARG A 70 -4.176 2.000 -10.209 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.888 4.676 -11.859 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.258 6.038 -12.140 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.286 6.315 -13.644 1.00 0.00 C ATOM 1121 NE ARG A 70 -4.702 6.421 -14.096 1.00 0.00 N ATOM 1122 CZ ARG A 70 -4.980 6.569 -15.364 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -4.018 6.629 -16.245 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.224 6.659 -15.749 1.00 0.00 N ATOM 0 H ARG A 70 -1.874 3.384 -10.600 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.115 5.197 -9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.394 3.906 -12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.937 4.681 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.801 6.818 -11.606 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.231 6.057 -11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.751 7.238 -13.866 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.779 5.515 -14.183 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.458 6.378 -13.412 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.046 6.560 -15.944 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.239 6.745 -17.234 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.975 6.614 -15.061 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.445 6.775 -16.738 1.00 0.00 H new ATOM 1138 N SER A 71 -5.827 3.356 -9.630 1.00 0.00 N ATOM 1139 CA SER A 71 -6.763 2.239 -9.308 1.00 0.00 C ATOM 1140 C SER A 71 -6.169 1.328 -8.232 1.00 0.00 C ATOM 1141 O SER A 71 -6.011 0.140 -8.434 1.00 0.00 O ATOM 1142 CB SER A 71 -7.062 1.427 -10.573 1.00 0.00 C ATOM 1143 OG SER A 71 -7.531 0.136 -10.206 1.00 0.00 O ATOM 0 H SER A 71 -6.216 4.288 -9.490 1.00 0.00 H new ATOM 0 HA SER A 71 -7.691 2.665 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.810 1.939 -11.179 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.163 1.339 -11.183 1.00 0.00 H new ATOM 0 HG SER A 71 -6.814 -0.357 -9.755 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.852 1.872 -7.083 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.283 1.043 -5.974 1.00 0.00 C ATOM 1151 C VAL A 72 -6.262 1.026 -4.805 1.00 0.00 C ATOM 1152 O VAL A 72 -7.198 1.803 -4.752 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.942 1.626 -5.518 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.895 1.435 -6.622 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.098 3.122 -5.214 1.00 0.00 C ATOM 0 H VAL A 72 -5.964 2.862 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.121 0.026 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.618 1.109 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.942 1.851 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.775 0.372 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.223 1.947 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.140 3.529 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.429 3.643 -6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.836 3.258 -4.423 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.052 0.128 -3.877 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.963 0.007 -2.698 1.00 0.00 C ATOM 1167 C VAL A 73 -6.155 0.081 -1.403 1.00 0.00 C ATOM 1168 O VAL A 73 -5.001 -0.297 -1.347 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.715 -1.326 -2.779 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.761 -2.488 -2.492 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.847 -1.330 -1.749 1.00 0.00 C ATOM 0 H VAL A 73 -5.278 -0.536 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.681 0.827 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.126 -1.445 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.306 -3.430 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.956 -2.487 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.341 -2.375 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.385 -2.277 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.430 -1.206 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.534 -0.510 -1.960 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.763 0.588 -0.365 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.055 0.724 0.942 1.00 0.00 C ATOM 1183 C VAL A 74 -6.301 -0.522 1.791 1.00 0.00 C ATOM 1184 O VAL A 74 -7.412 -0.995 1.898 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.580 1.959 1.672 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.833 2.127 2.998 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.348 3.188 0.793 1.00 0.00 C ATOM 0 H VAL A 74 -7.729 0.917 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.984 0.832 0.769 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.645 1.845 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.208 3.008 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.991 1.245 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.767 2.247 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.719 4.076 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.281 3.300 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.878 3.065 -0.152 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.266 -1.066 2.388 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.422 -2.293 3.233 1.00 0.00 C ATOM 1199 C GLY A 75 -5.254 -1.929 4.706 1.00 0.00 C ATOM 1200 O GLY A 75 -4.521 -1.024 5.054 1.00 0.00 O ATOM 0 H GLY A 75 -4.313 -0.709 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.404 -2.737 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.682 -3.040 2.946 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.928 -2.629 5.579 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.813 -2.332 7.037 1.00 0.00 C ATOM 1206 C GLU A 76 -4.753 -3.246 7.653 1.00 0.00 C ATOM 1207 O GLU A 76 -4.981 -4.420 7.871 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.166 -2.594 7.708 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.092 -2.246 9.200 1.00 0.00 C ATOM 1210 CD GLU A 76 -6.844 -0.746 9.359 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -7.139 -0.017 8.429 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.360 -0.352 10.408 1.00 0.00 O ATOM 0 H GLU A 76 -6.556 -3.397 5.344 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.526 -1.291 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.941 -1.998 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.445 -3.640 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.021 -2.527 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.291 -2.811 9.677 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.594 -2.712 7.938 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.505 -3.536 8.542 1.00 0.00 C ATOM 1221 C TYR A 77 -2.460 -3.287 10.054 1.00 0.00 C ATOM 1222 O TYR A 77 -2.022 -2.253 10.519 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.171 -3.142 7.899 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.061 -4.000 8.451 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.139 -5.295 7.953 1.00 0.00 C ATOM 1226 CD2 TYR A 77 0.773 -3.501 9.456 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.174 -6.088 8.463 1.00 0.00 C ATOM 1228 CE2 TYR A 77 1.808 -4.293 9.965 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.008 -5.587 9.469 1.00 0.00 C ATOM 1230 OH TYR A 77 3.030 -6.367 9.971 1.00 0.00 O ATOM 0 H TYR A 77 -3.354 -1.734 7.777 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.691 -4.595 8.365 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.230 -3.260 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.960 -2.090 8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.505 -5.681 7.176 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.618 -2.503 9.840 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.329 -7.086 8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.453 -3.906 10.740 1.00 0.00 H new ATOM 0 HH TYR A 77 3.513 -5.868 10.662 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.915 -4.242 10.820 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.921 -4.103 12.309 1.00 0.00 C ATOM 1242 C ASN A 78 -3.373 -2.700 12.721 1.00 0.00 C ATOM 1243 O ASN A 78 -4.495 -2.301 12.476 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.515 -4.367 12.856 1.00 0.00 C ATOM 1245 CG ASN A 78 -1.561 -4.370 14.386 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -2.516 -4.834 14.976 1.00 0.00 O ATOM 1247 ND2 ASN A 78 -0.560 -3.870 15.059 1.00 0.00 N ATOM 0 H ASN A 78 -3.288 -5.126 10.474 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.621 -4.830 12.721 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.143 -5.324 12.490 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.825 -3.601 12.503 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.581 -3.869 16.079 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.243 -3.480 14.565 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.510 -1.949 13.359 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.885 -0.574 13.804 1.00 0.00 C ATOM 1256 C ASP A 79 -2.477 0.450 12.745 1.00 0.00 C ATOM 1257 O ASP A 79 -2.935 1.576 12.755 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.162 -0.255 15.116 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.656 1.088 15.658 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.830 1.181 15.975 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -1.850 1.999 15.750 1.00 0.00 O ATOM 0 H ASP A 79 -1.558 -2.232 13.591 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.964 -0.527 13.950 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.346 -1.043 15.846 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.085 -0.219 14.951 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.606 0.077 11.842 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.145 1.035 10.788 1.00 0.00 C ATOM 1268 C ARG A 80 -1.868 0.765 9.472 1.00 0.00 C ATOM 1269 O ARG A 80 -2.352 -0.319 9.217 1.00 0.00 O ATOM 1270 CB ARG A 80 0.362 0.862 10.582 1.00 0.00 C ATOM 1271 CG ARG A 80 1.117 1.240 11.871 1.00 0.00 C ATOM 1272 CD ARG A 80 1.357 2.754 11.924 1.00 0.00 C ATOM 1273 NE ARG A 80 2.148 3.163 10.731 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.448 3.029 10.725 1.00 0.00 C ATOM 1275 NH1 ARG A 80 4.060 2.547 11.773 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.133 3.374 9.671 1.00 0.00 N ATOM 0 H ARG A 80 -1.192 -0.854 11.788 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.367 2.053 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.584 -0.170 10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.699 1.489 9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.543 0.925 12.742 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.070 0.712 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.405 3.285 11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.890 3.019 12.837 1.00 0.00 H new ATOM 0 HE ARG A 80 1.673 3.549 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.523 2.275 12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.075 2.443 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.654 3.748 8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.148 3.270 9.666 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.941 1.761 8.633 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.628 1.602 7.321 1.00 0.00 C ATOM 1292 C PHE A 81 -1.580 1.324 6.247 1.00 0.00 C ATOM 1293 O PHE A 81 -0.446 1.745 6.354 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.381 2.890 6.988 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.396 3.164 8.071 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.656 2.557 8.015 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.079 4.023 9.130 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.599 2.808 9.019 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.022 4.273 10.134 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.282 3.666 10.079 1.00 0.00 C ATOM 0 H PHE A 81 -1.550 2.688 8.803 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.335 0.774 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.683 3.723 6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.878 2.796 6.022 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.901 1.895 7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.107 4.493 9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.571 2.340 8.976 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.777 4.935 10.952 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.009 3.859 10.854 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.939 0.608 5.213 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.953 0.297 4.135 1.00 0.00 C ATOM 1312 C GLN A 82 -1.676 0.260 2.789 1.00 0.00 C ATOM 1313 O GLN A 82 -2.864 0.022 2.722 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.309 -1.069 4.405 1.00 0.00 C ATOM 1315 CG GLN A 82 0.593 -0.977 5.640 1.00 0.00 C ATOM 1316 CD GLN A 82 1.240 -2.336 5.910 1.00 0.00 C ATOM 1317 OE1 GLN A 82 1.063 -3.269 5.152 1.00 0.00 O ATOM 1318 NE2 GLN A 82 1.990 -2.487 6.969 1.00 0.00 N ATOM 0 H GLN A 82 -2.873 0.225 5.068 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.179 1.064 4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.081 -1.822 4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.273 -1.385 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.363 -0.222 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.009 -0.663 6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.138 -1.703 7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.427 -3.388 7.160 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.965 0.492 1.713 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.606 0.468 0.361 1.00 0.00 C ATOM 1329 C VAL A 83 -1.273 -0.858 -0.323 1.00 0.00 C ATOM 1330 O VAL A 83 -0.124 -1.222 -0.460 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.056 1.618 -0.487 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.888 1.754 -1.761 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -1.128 2.919 0.312 1.00 0.00 C ATOM 0 H VAL A 83 0.034 0.697 1.713 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.686 0.576 0.466 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.019 1.412 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.497 2.573 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.836 0.826 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.925 1.961 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.737 3.738 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.165 3.126 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.534 2.821 1.221 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.275 -1.581 -0.752 1.00 0.00 N ATOM 1344 CA GLN A 84 -2.035 -2.893 -1.429 1.00 0.00 C ATOM 1345 C GLN A 84 -2.294 -2.743 -2.923 1.00 0.00 C ATOM 1346 O GLN A 84 -3.323 -2.246 -3.337 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.990 -3.940 -0.856 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.609 -4.230 0.595 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.617 -5.204 1.200 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.521 -5.657 0.528 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.500 -5.550 2.453 1.00 0.00 N ATOM 0 H GLN A 84 -3.256 -1.318 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.004 -3.207 -1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.017 -3.580 -0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.942 -4.855 -1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.605 -4.653 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.592 -3.304 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.741 -5.170 3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.168 -6.201 2.867 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.363 -3.170 -3.737 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.534 -3.062 -5.215 1.00 0.00 C ATOM 1362 C VAL A 85 -1.881 -4.442 -5.770 1.00 0.00 C ATOM 1363 O VAL A 85 -1.236 -5.425 -5.457 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.228 -2.567 -5.843 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.312 -2.691 -7.368 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.011 -1.103 -5.462 1.00 0.00 C ATOM 0 H VAL A 85 -0.484 -3.592 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.332 -2.358 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 85 0.604 -3.169 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.618 -2.338 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.472 -3.734 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.142 -2.089 -7.737 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.918 -0.745 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.844 -0.504 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.048 -1.014 -4.377 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.903 -4.521 -6.585 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.320 -5.832 -7.164 1.00 0.00 C ATOM 1378 C ASN A 86 -3.637 -5.665 -8.650 1.00 0.00 C ATOM 1379 O ASN A 86 -3.266 -4.693 -9.279 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.578 -6.330 -6.447 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.380 -6.245 -4.934 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.130 -7.242 -4.285 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.483 -5.087 -4.339 1.00 0.00 N ATOM 0 H ASN A 86 -3.471 -3.725 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.509 -6.549 -7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.438 -5.731 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.790 -7.359 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.354 -5.019 -3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.693 -4.251 -4.884 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.328 -6.618 -9.205 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.694 -6.559 -10.645 1.00 0.00 C ATOM 1392 C LYS A 87 -5.481 -5.276 -10.919 1.00 0.00 C ATOM 1393 O LYS A 87 -5.926 -4.607 -10.009 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.564 -7.787 -10.982 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.681 -8.969 -11.412 1.00 0.00 C ATOM 1396 CD LYS A 87 -4.361 -8.863 -12.907 1.00 0.00 C ATOM 1397 CE LYS A 87 -3.491 -10.046 -13.328 1.00 0.00 C ATOM 1398 NZ LYS A 87 -3.214 -9.960 -14.788 1.00 0.00 N ATOM 0 H LYS A 87 -4.660 -7.448 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.795 -6.562 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.160 -8.067 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.262 -7.537 -11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.758 -8.974 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.192 -9.910 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.284 -8.852 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.844 -7.926 -13.113 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.556 -10.041 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.996 -10.984 -13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.622 -10.765 -15.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.111 -9.984 -15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.715 -9.071 -14.995 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.652 -4.935 -12.171 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.415 -3.704 -12.525 1.00 0.00 C ATOM 1414 C ASN A 88 -5.576 -2.468 -12.192 1.00 0.00 C ATOM 1415 O ASN A 88 -5.792 -1.399 -12.728 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.733 -3.673 -11.721 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.805 -2.898 -12.489 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.498 -2.089 -13.342 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.063 -3.116 -12.217 1.00 0.00 N ATOM 0 H ASN A 88 -5.293 -5.461 -12.967 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.641 -3.706 -13.591 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.075 -4.690 -11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.564 -3.208 -10.750 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.789 -2.607 -12.721 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.320 -3.795 -11.501 1.00 0.00 H new ATOM 1426 N SER A 89 -4.623 -2.602 -11.309 1.00 0.00 N ATOM 1427 CA SER A 89 -3.787 -1.428 -10.936 1.00 0.00 C ATOM 1428 C SER A 89 -2.802 -1.117 -12.060 1.00 0.00 C ATOM 1429 O SER A 89 -2.507 -1.957 -12.889 1.00 0.00 O ATOM 1430 CB SER A 89 -3.021 -1.737 -9.653 1.00 0.00 C ATOM 1431 OG SER A 89 -2.059 -2.752 -9.912 1.00 0.00 O ATOM 0 H SER A 89 -4.389 -3.472 -10.832 1.00 0.00 H new ATOM 0 HA SER A 89 -4.430 -0.563 -10.776 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.527 -0.838 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.710 -2.063 -8.874 1.00 0.00 H new ATOM 0 HG SER A 89 -2.510 -3.619 -9.983 1.00 0.00 H new ATOM 1437 N SER A 90 -2.292 0.089 -12.099 1.00 0.00 N ATOM 1438 CA SER A 90 -1.323 0.474 -13.170 1.00 0.00 C ATOM 1439 C SER A 90 -0.181 1.270 -12.548 1.00 0.00 C ATOM 1440 O SER A 90 -0.337 1.873 -11.502 1.00 0.00 O ATOM 1441 CB SER A 90 -2.032 1.333 -14.210 1.00 0.00 C ATOM 1442 OG SER A 90 -2.980 0.533 -14.901 1.00 0.00 O ATOM 0 H SER A 90 -2.507 0.828 -11.430 1.00 0.00 H new ATOM 0 HA SER A 90 -0.928 -0.422 -13.648 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.530 2.174 -13.728 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.309 1.750 -14.911 1.00 0.00 H new ATOM 0 HG SER A 90 -3.442 1.079 -15.571 1.00 0.00 H new ATOM 1448 N ILE A 91 0.967 1.289 -13.183 1.00 0.00 N ATOM 1449 CA ILE A 91 2.128 2.053 -12.639 1.00 0.00 C ATOM 1450 C ILE A 91 2.826 2.792 -13.783 1.00 0.00 C ATOM 1451 O ILE A 91 3.133 2.212 -14.808 1.00 0.00 O ATOM 1452 CB ILE A 91 3.119 1.085 -11.988 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.466 0.438 -10.765 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.368 1.855 -11.556 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.356 -0.690 -10.246 1.00 0.00 C ATOM 0 H ILE A 91 1.148 0.803 -14.061 1.00 0.00 H new ATOM 0 HA ILE A 91 1.776 2.769 -11.896 1.00 0.00 H new ATOM 0 HB ILE A 91 3.399 0.310 -12.702 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.314 1.183 -9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.483 0.047 -11.029 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.076 1.169 -11.092 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.830 2.318 -12.428 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.089 2.628 -10.840 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.890 -1.150 -9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.485 -1.440 -11.027 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.329 -0.286 -9.966 1.00 0.00 H new ATOM 1467 N GLU A 92 3.084 4.066 -13.613 1.00 0.00 N ATOM 1468 CA GLU A 92 3.772 4.858 -14.682 1.00 0.00 C ATOM 1469 C GLU A 92 4.910 5.667 -14.060 1.00 0.00 C ATOM 1470 O GLU A 92 4.774 6.239 -12.995 1.00 0.00 O ATOM 1471 CB GLU A 92 2.771 5.807 -15.344 1.00 0.00 C ATOM 1472 CG GLU A 92 3.467 6.585 -16.465 1.00 0.00 C ATOM 1473 CD GLU A 92 2.450 7.480 -17.173 1.00 0.00 C ATOM 1474 OE1 GLU A 92 1.353 7.620 -16.660 1.00 0.00 O ATOM 1475 OE2 GLU A 92 2.788 8.015 -18.218 1.00 0.00 O ATOM 0 H GLU A 92 2.846 4.595 -12.774 1.00 0.00 H new ATOM 0 HA GLU A 92 4.175 4.180 -15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.930 5.242 -15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.366 6.498 -14.605 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.276 7.190 -16.054 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.916 5.893 -17.177 1.00 0.00 H new ATOM 1482 N LYS A 93 6.033 5.712 -14.721 1.00 0.00 N ATOM 1483 CA LYS A 93 7.194 6.477 -14.185 1.00 0.00 C ATOM 1484 C LYS A 93 7.036 7.955 -14.520 1.00 0.00 C ATOM 1485 O LYS A 93 6.628 8.314 -15.607 1.00 0.00 O ATOM 1486 CB LYS A 93 8.479 5.957 -14.814 1.00 0.00 C ATOM 1487 CG LYS A 93 8.799 4.579 -14.237 1.00 0.00 C ATOM 1488 CD LYS A 93 10.120 4.060 -14.817 1.00 0.00 C ATOM 1489 CE LYS A 93 9.950 3.699 -16.298 1.00 0.00 C ATOM 1490 NZ LYS A 93 11.088 2.843 -16.734 1.00 0.00 N ATOM 0 H LYS A 93 6.198 5.249 -15.615 1.00 0.00 H new ATOM 0 HA LYS A 93 7.236 6.352 -13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.369 5.894 -15.897 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.300 6.647 -14.617 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.868 4.638 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.993 3.883 -14.468 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.895 4.819 -14.708 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.450 3.184 -14.258 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.007 3.174 -16.449 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.910 4.605 -16.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.973 2.598 -17.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.981 3.360 -16.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.106 1.973 -16.165 1.00 0.00 H new ATOM 1504 N LEU A 94 7.360 8.814 -13.587 1.00 0.00 N ATOM 1505 CA LEU A 94 7.235 10.293 -13.818 1.00 0.00 C ATOM 1506 C LEU A 94 8.620 10.932 -13.897 1.00 0.00 C ATOM 1507 O LEU A 94 9.517 10.620 -13.136 1.00 0.00 O ATOM 1508 CB LEU A 94 6.422 10.918 -12.671 1.00 0.00 C ATOM 1509 CG LEU A 94 4.915 10.849 -12.994 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.551 11.837 -14.133 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.535 9.414 -13.409 1.00 0.00 C ATOM 0 H LEU A 94 7.710 8.555 -12.665 1.00 0.00 H new ATOM 0 HA LEU A 94 6.721 10.471 -14.762 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.627 10.391 -11.739 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.724 11.955 -12.523 1.00 0.00 H new ATOM 0 HG LEU A 94 4.357 11.129 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.484 11.771 -14.344 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.798 12.853 -13.826 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.115 11.582 -15.030 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.470 9.371 -13.636 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.106 9.127 -14.292 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.760 8.728 -12.593 1.00 0.00 H new ATOM 1523 N SER A 95 8.787 11.827 -14.830 1.00 0.00 N ATOM 1524 CA SER A 95 10.093 12.510 -14.999 1.00 0.00 C ATOM 1525 C SER A 95 10.154 13.727 -14.081 1.00 0.00 C ATOM 1526 O SER A 95 11.064 14.526 -14.173 1.00 0.00 O ATOM 1527 CB SER A 95 10.245 12.966 -16.448 1.00 0.00 C ATOM 1528 OG SER A 95 11.272 13.948 -16.527 1.00 0.00 O ATOM 0 H SER A 95 8.064 12.115 -15.489 1.00 0.00 H new ATOM 0 HA SER A 95 10.897 11.819 -14.745 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.489 12.116 -17.085 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.304 13.378 -16.812 1.00 0.00 H new ATOM 0 HG SER A 95 11.736 14.006 -15.666 1.00 0.00 H new ATOM 1534 N GLU A 96 9.186 13.889 -13.201 1.00 0.00 N ATOM 1535 CA GLU A 96 9.181 15.061 -12.272 1.00 0.00 C ATOM 1536 C GLU A 96 9.289 14.557 -10.825 1.00 0.00 C ATOM 1537 O GLU A 96 8.290 14.275 -10.189 1.00 0.00 O ATOM 1538 CB GLU A 96 7.862 15.820 -12.439 1.00 0.00 C ATOM 1539 CG GLU A 96 7.880 16.565 -13.776 1.00 0.00 C ATOM 1540 CD GLU A 96 8.864 17.736 -13.697 1.00 0.00 C ATOM 1541 OE1 GLU A 96 8.663 18.599 -12.857 1.00 0.00 O ATOM 1542 OE2 GLU A 96 9.805 17.749 -14.474 1.00 0.00 O ATOM 0 H GLU A 96 8.397 13.252 -13.090 1.00 0.00 H new ATOM 0 HA GLU A 96 10.021 15.718 -12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.022 15.126 -12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.726 16.524 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.170 15.886 -14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.881 16.931 -14.014 1.00 0.00 H new ATOM 1549 N PRO A 97 10.489 14.449 -10.307 1.00 0.00 N ATOM 1550 CA PRO A 97 10.730 13.981 -8.908 1.00 0.00 C ATOM 1551 C PRO A 97 9.963 14.818 -7.879 1.00 0.00 C ATOM 1552 O PRO A 97 9.667 15.976 -8.100 1.00 0.00 O ATOM 1553 CB PRO A 97 12.251 14.134 -8.719 1.00 0.00 C ATOM 1554 CG PRO A 97 12.819 14.124 -10.103 1.00 0.00 C ATOM 1555 CD PRO A 97 11.750 14.742 -11.003 1.00 0.00 C ATOM 0 HA PRO A 97 10.383 12.959 -8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.492 15.062 -8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.658 13.319 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.745 14.696 -10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.056 13.108 -10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.900 15.815 -11.123 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.766 14.304 -12.001 1.00 0.00 H new ATOM 1563 N ILE A 98 9.634 14.229 -6.761 1.00 0.00 N ATOM 1564 CA ILE A 98 8.878 14.963 -5.703 1.00 0.00 C ATOM 1565 C ILE A 98 9.846 15.403 -4.605 1.00 0.00 C ATOM 1566 O ILE A 98 10.830 14.744 -4.332 1.00 0.00 O ATOM 1567 CB ILE A 98 7.810 14.044 -5.112 1.00 0.00 C ATOM 1568 CG1 ILE A 98 6.866 13.606 -6.233 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.012 14.808 -4.050 1.00 0.00 C ATOM 1570 CD1 ILE A 98 5.952 12.492 -5.728 1.00 0.00 C ATOM 0 H ILE A 98 9.859 13.261 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 98 8.398 15.841 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 98 8.280 13.173 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.270 14.453 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.441 13.257 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.250 14.154 -3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.684 15.140 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.534 15.674 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.280 12.182 -6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.556 11.642 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.367 12.856 -4.884 1.00 0.00 H new ATOM 1582 N GLU A 99 9.582 16.521 -3.981 1.00 0.00 N ATOM 1583 CA GLU A 99 10.485 17.021 -2.908 1.00 0.00 C ATOM 1584 C GLU A 99 10.832 15.891 -1.942 1.00 0.00 C ATOM 1585 O GLU A 99 11.847 15.238 -2.075 1.00 0.00 O ATOM 1586 CB GLU A 99 9.778 18.134 -2.129 1.00 0.00 C ATOM 1587 CG GLU A 99 9.484 19.327 -3.050 1.00 0.00 C ATOM 1588 CD GLU A 99 8.184 19.089 -3.830 1.00 0.00 C ATOM 1589 OE1 GLU A 99 7.626 18.011 -3.710 1.00 0.00 O ATOM 1590 OE2 GLU A 99 7.769 19.994 -4.536 1.00 0.00 O ATOM 0 H GLU A 99 8.773 17.112 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 99 11.399 17.401 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.848 17.756 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.401 18.455 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.400 20.239 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.312 19.472 -3.744 1.00 0.00 H new ATOM 1597 N VAL A 100 9.999 15.657 -0.961 1.00 0.00 N ATOM 1598 CA VAL A 100 10.291 14.578 0.021 1.00 0.00 C ATOM 1599 C VAL A 100 11.691 14.804 0.600 1.00 0.00 C ATOM 1600 O VAL A 100 12.232 13.969 1.297 1.00 0.00 O ATOM 1601 CB VAL A 100 10.220 13.210 -0.680 1.00 0.00 C ATOM 1602 CG1 VAL A 100 9.898 12.115 0.345 1.00 0.00 C ATOM 1603 CG2 VAL A 100 9.120 13.245 -1.749 1.00 0.00 C ATOM 0 H VAL A 100 9.131 16.168 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 100 9.557 14.596 0.827 1.00 0.00 H new ATOM 0 HB VAL A 100 11.181 12.994 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.849 11.149 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.678 12.089 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.938 12.328 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.067 12.277 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.162 13.464 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.349 14.019 -2.482 1.00 0.00 H new ATOM 1613 N GLY A 101 12.275 15.936 0.314 1.00 0.00 N ATOM 1614 CA GLY A 101 13.634 16.238 0.839 1.00 0.00 C ATOM 1615 C GLY A 101 13.821 17.750 0.909 1.00 0.00 C ATOM 1616 O GLY A 101 14.335 18.364 -0.004 1.00 0.00 O ATOM 0 H GLY A 101 11.865 16.669 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.761 15.798 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.393 15.795 0.194 1.00 0.00 H new ATOM 1620 N LEU A 102 13.409 18.359 1.990 1.00 0.00 N ATOM 1621 CA LEU A 102 13.568 19.835 2.124 1.00 0.00 C ATOM 1622 C LEU A 102 13.653 20.197 3.609 1.00 0.00 C ATOM 1623 O LEU A 102 12.697 20.075 4.347 1.00 0.00 O ATOM 1624 CB LEU A 102 12.369 20.544 1.480 1.00 0.00 C ATOM 1625 CG LEU A 102 12.487 22.065 1.674 1.00 0.00 C ATOM 1626 CD1 LEU A 102 13.800 22.579 1.059 1.00 0.00 C ATOM 1627 CD2 LEU A 102 11.294 22.749 0.999 1.00 0.00 C ATOM 0 H LEU A 102 12.969 17.897 2.786 1.00 0.00 H new ATOM 0 HA LEU A 102 14.480 20.155 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.325 20.308 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.442 20.184 1.925 1.00 0.00 H new ATOM 0 HG LEU A 102 12.489 22.295 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.872 23.657 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.645 22.091 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.815 22.354 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.370 23.828 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.294 22.514 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.368 22.392 1.449 1.00 0.00 H new ATOM 1639 N GLU A 103 14.798 20.639 4.045 1.00 0.00 N ATOM 1640 CA GLU A 103 14.969 21.015 5.477 1.00 0.00 C ATOM 1641 C GLU A 103 16.251 21.840 5.631 1.00 0.00 C ATOM 1642 O GLU A 103 16.412 22.586 6.576 1.00 0.00 O ATOM 1643 CB GLU A 103 15.065 19.744 6.323 1.00 0.00 C ATOM 1644 CG GLU A 103 16.313 18.953 5.921 1.00 0.00 C ATOM 1645 CD GLU A 103 16.313 17.606 6.641 1.00 0.00 C ATOM 1646 OE1 GLU A 103 15.816 17.552 7.752 1.00 0.00 O ATOM 1647 OE2 GLU A 103 16.810 16.650 6.066 1.00 0.00 O ATOM 0 H GLU A 103 15.630 20.757 3.467 1.00 0.00 H new ATOM 0 HA GLU A 103 14.117 21.607 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.111 20.002 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.174 19.133 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.329 18.801 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 103 17.211 19.515 6.177 1.00 0.00 H new ATOM 1654 N HIS A 104 17.169 21.709 4.703 1.00 0.00 N ATOM 1655 CA HIS A 104 18.443 22.477 4.780 1.00 0.00 C ATOM 1656 C HIS A 104 18.885 22.829 3.358 1.00 0.00 C ATOM 1657 O HIS A 104 18.589 22.121 2.415 1.00 0.00 O ATOM 1658 CB HIS A 104 19.515 21.617 5.459 1.00 0.00 C ATOM 1659 CG HIS A 104 19.848 20.437 4.585 1.00 0.00 C ATOM 1660 ND1 HIS A 104 18.923 19.451 4.284 1.00 0.00 N ATOM 1661 CD2 HIS A 104 21.004 20.077 3.937 1.00 0.00 C ATOM 1662 CE1 HIS A 104 19.531 18.555 3.486 1.00 0.00 C ATOM 1663 NE2 HIS A 104 20.801 18.888 3.244 1.00 0.00 N ATOM 0 H HIS A 104 17.085 21.097 3.891 1.00 0.00 H new ATOM 0 HA HIS A 104 18.300 23.389 5.360 1.00 0.00 H new ATOM 0 HB2 HIS A 104 20.410 22.211 5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 104 19.158 21.273 6.430 1.00 0.00 H new ATOM 0 HD2 HIS A 104 21.930 20.632 3.962 1.00 0.00 H new ATOM 0 HE1 HIS A 104 19.050 17.673 3.089 1.00 0.00 H new ATOM 0 HE2 HIS A 104 21.477 18.380 2.674 1.00 0.00 H new ATOM 1671 N HIS A 105 19.585 23.914 3.196 1.00 0.00 N ATOM 1672 CA HIS A 105 20.039 24.312 1.835 1.00 0.00 C ATOM 1673 C HIS A 105 21.173 25.324 1.970 1.00 0.00 C ATOM 1674 O HIS A 105 20.955 26.518 1.933 1.00 0.00 O ATOM 1675 CB HIS A 105 18.873 24.955 1.078 1.00 0.00 C ATOM 1676 CG HIS A 105 19.278 25.222 -0.347 1.00 0.00 C ATOM 1677 ND1 HIS A 105 19.964 26.368 -0.720 1.00 0.00 N ATOM 1678 CD2 HIS A 105 19.090 24.505 -1.503 1.00 0.00 C ATOM 1679 CE1 HIS A 105 20.162 26.307 -2.049 1.00 0.00 C ATOM 1680 NE2 HIS A 105 19.651 25.193 -2.577 1.00 0.00 N ATOM 0 H HIS A 105 19.864 24.544 3.948 1.00 0.00 H new ATOM 0 HA HIS A 105 20.386 23.435 1.289 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.004 24.297 1.102 1.00 0.00 H new ATOM 0 HB3 HIS A 105 18.581 25.886 1.564 1.00 0.00 H new ATOM 0 HD1 HIS A 105 20.264 27.120 -0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.584 23.553 -1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.673 27.068 -2.620 1.00 0.00 H new ATOM 1688 N HIS A 106 22.384 24.862 2.135 1.00 0.00 N ATOM 1689 CA HIS A 106 23.529 25.808 2.281 1.00 0.00 C ATOM 1690 C HIS A 106 24.123 26.108 0.905 1.00 0.00 C ATOM 1691 O HIS A 106 24.509 25.219 0.173 1.00 0.00 O ATOM 1692 CB HIS A 106 24.597 25.179 3.178 1.00 0.00 C ATOM 1693 CG HIS A 106 24.086 25.128 4.594 1.00 0.00 C ATOM 1694 ND1 HIS A 106 23.179 24.170 5.018 1.00 0.00 N ATOM 1695 CD2 HIS A 106 24.339 25.916 5.690 1.00 0.00 C ATOM 1696 CE1 HIS A 106 22.922 24.403 6.318 1.00 0.00 C ATOM 1697 NE2 HIS A 106 23.603 25.456 6.777 1.00 0.00 N ATOM 0 H HIS A 106 22.630 23.873 2.175 1.00 0.00 H new ATOM 0 HA HIS A 106 23.179 26.737 2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 106 24.837 24.175 2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 106 25.517 25.761 3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 106 25.008 26.764 5.706 1.00 0.00 H new ATOM 0 HE1 HIS A 106 22.247 23.810 6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 106 23.587 25.840 7.722 1.00 0.00 H new ATOM 1705 N HIS A 107 24.195 27.364 0.549 1.00 0.00 N ATOM 1706 CA HIS A 107 24.758 27.743 -0.777 1.00 0.00 C ATOM 1707 C HIS A 107 24.181 26.837 -1.866 1.00 0.00 C ATOM 1708 O HIS A 107 23.019 26.929 -2.214 1.00 0.00 O ATOM 1709 CB HIS A 107 26.279 27.594 -0.745 1.00 0.00 C ATOM 1710 CG HIS A 107 26.848 27.983 -2.081 1.00 0.00 C ATOM 1711 ND1 HIS A 107 27.272 27.042 -3.007 1.00 0.00 N ATOM 1712 CD2 HIS A 107 27.070 29.207 -2.662 1.00 0.00 C ATOM 1713 CE1 HIS A 107 27.722 27.709 -4.085 1.00 0.00 C ATOM 1714 NE2 HIS A 107 27.622 29.032 -3.928 1.00 0.00 N ATOM 0 H HIS A 107 23.886 28.147 1.125 1.00 0.00 H new ATOM 0 HA HIS A 107 24.495 28.778 -0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 107 26.700 28.223 0.039 1.00 0.00 H new ATOM 0 HB3 HIS A 107 26.550 26.565 -0.508 1.00 0.00 H new ATOM 0 HD2 HIS A 107 26.850 30.161 -2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 107 28.116 27.233 -4.970 1.00 0.00 H new ATOM 0 HE2 HIS A 107 27.892 29.757 -4.592 1.00 0.00 H new ATOM 1722 N HIS A 108 24.988 25.963 -2.411 1.00 0.00 N ATOM 1723 CA HIS A 108 24.500 25.047 -3.484 1.00 0.00 C ATOM 1724 C HIS A 108 25.147 23.671 -3.317 1.00 0.00 C ATOM 1725 O HIS A 108 26.296 23.553 -2.939 1.00 0.00 O ATOM 1726 CB HIS A 108 24.875 25.626 -4.851 1.00 0.00 C ATOM 1727 CG HIS A 108 24.104 26.898 -5.083 1.00 0.00 C ATOM 1728 ND1 HIS A 108 24.508 28.115 -4.554 1.00 0.00 N ATOM 1729 CD2 HIS A 108 22.953 27.158 -5.785 1.00 0.00 C ATOM 1730 CE1 HIS A 108 23.613 29.043 -4.943 1.00 0.00 C ATOM 1731 NE2 HIS A 108 22.645 28.512 -5.695 1.00 0.00 N ATOM 0 H HIS A 108 25.969 25.844 -2.157 1.00 0.00 H new ATOM 0 HA HIS A 108 23.417 24.947 -3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 108 25.946 25.824 -4.893 1.00 0.00 H new ATOM 0 HB3 HIS A 108 24.653 24.904 -5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 108 22.374 26.423 -6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 108 23.671 30.089 -4.679 1.00 0.00 H new ATOM 0 HE2 HIS A 108 21.850 28.995 -6.114 1.00 0.00 H new ATOM 1739 N HIS A 109 24.410 22.631 -3.597 1.00 0.00 N ATOM 1740 CA HIS A 109 24.962 21.256 -3.459 1.00 0.00 C ATOM 1741 C HIS A 109 26.293 21.158 -4.207 1.00 0.00 C ATOM 1742 O HIS A 109 27.118 20.355 -3.804 1.00 0.00 O ATOM 1743 CB HIS A 109 23.968 20.257 -4.053 1.00 0.00 C ATOM 1744 CG HIS A 109 22.760 20.155 -3.163 1.00 0.00 C ATOM 1745 ND1 HIS A 109 21.756 21.110 -3.165 1.00 0.00 N ATOM 1746 CD2 HIS A 109 22.378 19.213 -2.238 1.00 0.00 C ATOM 1747 CE1 HIS A 109 20.827 20.726 -2.269 1.00 0.00 C ATOM 1748 NE2 HIS A 109 21.157 19.576 -1.676 1.00 0.00 N ATOM 1749 OXT HIS A 109 26.463 21.885 -5.172 1.00 0.00 O ATOM 0 H HIS A 109 23.443 22.677 -3.918 1.00 0.00 H new ATOM 0 HA HIS A 109 25.126 21.031 -2.405 1.00 0.00 H new ATOM 0 HB2 HIS A 109 23.670 20.576 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 109 24.438 19.279 -4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 109 22.940 18.326 -1.985 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.925 21.281 -2.056 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.628 19.072 -0.964 1.00 0.00 H new TER 1757 HIS A 109