USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 716 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 86 HIS : no HE2:sc= 0.466 K(o=0.43,f=-2.5!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.0345 X(o=0.43,f=0.42) USER MOD Set 2.1: A 38 GLN : amide:sc= -3.28 K(o=-7.7,f=-2.2) USER MOD Set 2.2: A 43 ASN : amide:sc= -4.45! K(o=-7.7!,f=-2.2) USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 26 MET CE :methyl -173:sc= -0.293 (180deg=-0.338) USER MOD Set 4.1: A 14 THR OG1 : rot 25:sc= 1.16 USER MOD Set 4.2: A 62 SER OG : rot -24:sc= 0.83 USER MOD Set 5.1: A 13 ASN : amide:sc= -0.741 K(o=1.1,f=-0.31!) USER MOD Set 5.2: A 52 LYS NZ :NH3+ -135:sc= 1.84 (180deg=-1.4!) USER MOD Set 6.1: A 7 SER OG : rot -120:sc= -0.522 USER MOD Set 6.2: A 18 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0832 (180deg=-0.503) USER MOD Single : A 1 MET N :NH3+ -107:sc= 1.23 (180deg=-0.161) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 0.232 (180deg=-0.215) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 115:sc= 0.844 USER MOD Single : A 11 ASN : amide:sc= -0.345 K(o=-0.35,f=-6.5!) USER MOD Single : A 12 HIS : no HE2:sc= 0.363 K(o=0.36,f=-2.5) USER MOD Single : A 15 MET CE :methyl -155:sc= -0.363 (180deg=-2.45) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 39:sc= 0.262 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 76:sc= 0.375 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= -0.0367 (180deg=-0.174) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0349) USER MOD Single : A 53 SER OG : rot 51:sc= 0.513 USER MOD Single : A 56 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-3!) USER MOD Single : A 58 MET CE :methyl -135:sc= -0.0957 (180deg=-1.76) USER MOD Single : A 65 LYS NZ :NH3+ 137:sc= -0.069! (180deg=-0.288) USER MOD Single : A 67 ASN : amide:sc= -0.327 K(o=-0.33,f=-3.4!) USER MOD Single : A 70 ASN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0.174 K(o=0.17,f=-1.9) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.640 2.919 -6.446 1.00 0.00 N ATOM 2 CA MET A 1 10.867 2.635 -5.010 1.00 0.00 C ATOM 3 C MET A 1 10.828 1.117 -4.748 1.00 0.00 C ATOM 4 O MET A 1 10.212 0.355 -5.502 1.00 0.00 O ATOM 5 CB MET A 1 9.807 3.354 -4.126 1.00 0.00 C ATOM 6 CG MET A 1 9.687 4.871 -4.355 1.00 0.00 C ATOM 7 SD MET A 1 8.851 5.276 -5.908 1.00 0.00 S ATOM 8 CE MET A 1 7.176 4.698 -5.591 1.00 0.00 C ATOM 0 H1 MET A 1 11.534 3.216 -6.887 1.00 0.00 H new ATOM 0 H2 MET A 1 10.289 2.061 -6.918 1.00 0.00 H new ATOM 0 H3 MET A 1 9.937 3.680 -6.543 1.00 0.00 H new ATOM 0 HA MET A 1 11.853 3.015 -4.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.834 2.897 -4.308 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.051 3.179 -3.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.140 5.318 -3.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.683 5.314 -4.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.487 5.184 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.131 3.618 -5.733 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.895 4.942 -4.566 1.00 0.00 H new ATOM 20 N LYS A 2 11.505 0.702 -3.672 1.00 0.00 N ATOM 21 CA LYS A 2 11.505 -0.684 -3.157 1.00 0.00 C ATOM 22 C LYS A 2 10.892 -0.715 -1.750 1.00 0.00 C ATOM 23 O LYS A 2 10.387 0.301 -1.246 1.00 0.00 O ATOM 24 CB LYS A 2 12.966 -1.256 -3.125 1.00 0.00 C ATOM 25 CG LYS A 2 13.477 -1.818 -4.469 1.00 0.00 C ATOM 26 CD LYS A 2 12.677 -3.067 -4.910 1.00 0.00 C ATOM 27 CE LYS A 2 13.247 -3.733 -6.170 1.00 0.00 C ATOM 28 NZ LYS A 2 12.445 -4.918 -6.562 1.00 0.00 N ATOM 0 H LYS A 2 12.085 1.331 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 2 10.906 -1.307 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.642 -0.466 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.014 -2.047 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.402 -1.048 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.532 -2.076 -4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.668 -3.792 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.641 -2.781 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.262 -3.014 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.279 -4.033 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.001 -5.516 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.194 -5.464 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.577 -4.606 -7.042 1.00 0.00 H new ATOM 42 N ILE A 3 10.920 -1.906 -1.136 1.00 0.00 N ATOM 43 CA ILE A 3 10.569 -2.094 0.273 1.00 0.00 C ATOM 44 C ILE A 3 11.870 -2.243 1.076 1.00 0.00 C ATOM 45 O ILE A 3 12.571 -3.249 0.933 1.00 0.00 O ATOM 46 CB ILE A 3 9.686 -3.378 0.491 1.00 0.00 C ATOM 47 CG1 ILE A 3 8.395 -3.335 -0.387 1.00 0.00 C ATOM 48 CG2 ILE A 3 9.338 -3.546 1.992 1.00 0.00 C ATOM 49 CD1 ILE A 3 7.539 -4.595 -0.330 1.00 0.00 C ATOM 0 H ILE A 3 11.189 -2.769 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 3 9.991 -1.231 0.604 1.00 0.00 H new ATOM 0 HB ILE A 3 10.264 -4.246 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.788 -2.486 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.683 -3.155 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.727 -4.439 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 3 10.257 -3.645 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.785 -2.672 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.666 -4.471 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.124 -5.448 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.214 -4.768 0.696 1.00 0.00 H new ATOM 61 N ILE A 4 12.205 -1.235 1.887 1.00 0.00 N ATOM 62 CA ILE A 4 13.350 -1.308 2.817 1.00 0.00 C ATOM 63 C ILE A 4 12.905 -2.006 4.114 1.00 0.00 C ATOM 64 O ILE A 4 13.590 -2.904 4.612 1.00 0.00 O ATOM 65 CB ILE A 4 13.942 0.122 3.129 1.00 0.00 C ATOM 66 CG1 ILE A 4 14.417 0.814 1.809 1.00 0.00 C ATOM 67 CG2 ILE A 4 15.095 0.064 4.173 1.00 0.00 C ATOM 68 CD1 ILE A 4 15.537 0.105 1.065 1.00 0.00 C ATOM 0 H ILE A 4 11.699 -0.350 1.922 1.00 0.00 H new ATOM 0 HA ILE A 4 14.144 -1.886 2.344 1.00 0.00 H new ATOM 0 HB ILE A 4 13.144 0.719 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.562 0.907 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.746 1.825 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.471 1.071 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.721 -0.359 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.902 -0.561 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.790 0.667 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.414 0.036 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.211 -0.897 0.786 1.00 0.00 H new ATOM 80 N SER A 5 11.736 -1.594 4.637 1.00 0.00 N ATOM 81 CA SER A 5 11.160 -2.160 5.871 1.00 0.00 C ATOM 82 C SER A 5 9.626 -2.169 5.787 1.00 0.00 C ATOM 83 O SER A 5 9.020 -1.136 5.485 1.00 0.00 O ATOM 84 CB SER A 5 11.610 -1.336 7.108 1.00 0.00 C ATOM 85 OG SER A 5 13.026 -1.230 7.179 1.00 0.00 O ATOM 0 H SER A 5 11.165 -0.861 4.217 1.00 0.00 H new ATOM 0 HA SER A 5 11.518 -3.184 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.172 -0.339 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.234 -1.807 8.016 1.00 0.00 H new ATOM 0 HG SER A 5 13.276 -0.704 7.968 1.00 0.00 H new ATOM 91 N ILE A 6 9.003 -3.339 6.028 1.00 0.00 N ATOM 92 CA ILE A 6 7.555 -3.430 6.284 1.00 0.00 C ATOM 93 C ILE A 6 7.353 -3.209 7.793 1.00 0.00 C ATOM 94 O ILE A 6 7.197 -4.163 8.577 1.00 0.00 O ATOM 95 CB ILE A 6 6.939 -4.814 5.817 1.00 0.00 C ATOM 96 CG1 ILE A 6 7.300 -5.090 4.326 1.00 0.00 C ATOM 97 CG2 ILE A 6 5.401 -4.847 6.031 1.00 0.00 C ATOM 98 CD1 ILE A 6 6.845 -6.430 3.769 1.00 0.00 C ATOM 0 H ILE A 6 9.484 -4.238 6.050 1.00 0.00 H new ATOM 0 HA ILE A 6 7.030 -2.672 5.702 1.00 0.00 H new ATOM 0 HB ILE A 6 7.372 -5.604 6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.866 -4.298 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.382 -5.021 4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.008 -5.809 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.178 -4.707 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.936 -4.048 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.150 -6.513 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.299 -7.236 4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.759 -6.502 3.836 1.00 0.00 H new ATOM 110 N SER A 7 7.478 -1.935 8.197 1.00 0.00 N ATOM 111 CA SER A 7 7.348 -1.519 9.590 1.00 0.00 C ATOM 112 C SER A 7 5.856 -1.473 9.972 1.00 0.00 C ATOM 113 O SER A 7 5.165 -0.471 9.751 1.00 0.00 O ATOM 114 CB SER A 7 8.081 -0.164 9.803 1.00 0.00 C ATOM 115 OG SER A 7 7.751 0.772 8.793 1.00 0.00 O ATOM 0 H SER A 7 7.673 -1.165 7.557 1.00 0.00 H new ATOM 0 HA SER A 7 7.825 -2.239 10.255 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.816 0.244 10.778 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.158 -0.329 9.808 1.00 0.00 H new ATOM 0 HG SER A 7 8.564 1.037 8.314 1.00 0.00 H new ATOM 121 N GLU A 8 5.366 -2.620 10.480 1.00 0.00 N ATOM 122 CA GLU A 8 3.973 -2.812 10.902 1.00 0.00 C ATOM 123 C GLU A 8 3.682 -2.054 12.213 1.00 0.00 C ATOM 124 O GLU A 8 4.562 -1.400 12.793 1.00 0.00 O ATOM 125 CB GLU A 8 3.698 -4.332 11.088 1.00 0.00 C ATOM 126 CG GLU A 8 4.525 -4.989 12.217 1.00 0.00 C ATOM 127 CD GLU A 8 4.324 -6.508 12.333 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.860 -7.245 11.478 1.00 0.00 O ATOM 129 OE2 GLU A 8 3.646 -6.973 13.277 1.00 0.00 O ATOM 0 H GLU A 8 5.941 -3.452 10.609 1.00 0.00 H new ATOM 0 HA GLU A 8 3.314 -2.411 10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.638 -4.476 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.910 -4.846 10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.582 -4.784 12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.260 -4.524 13.166 1.00 0.00 H new ATOM 136 N THR A 9 2.443 -2.186 12.681 1.00 0.00 N ATOM 137 CA THR A 9 1.935 -1.528 13.888 1.00 0.00 C ATOM 138 C THR A 9 1.085 -2.550 14.683 1.00 0.00 C ATOM 139 O THR A 9 0.529 -3.476 14.073 1.00 0.00 O ATOM 140 CB THR A 9 1.078 -0.267 13.502 1.00 0.00 C ATOM 141 OG1 THR A 9 0.071 -0.633 12.548 1.00 0.00 O ATOM 142 CG2 THR A 9 1.933 0.873 12.909 1.00 0.00 C ATOM 0 H THR A 9 1.744 -2.769 12.221 1.00 0.00 H new ATOM 0 HA THR A 9 2.766 -1.187 14.506 1.00 0.00 H new ATOM 0 HB THR A 9 0.623 0.098 14.423 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.816 -0.523 12.950 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.291 1.718 12.660 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.679 1.186 13.640 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.434 0.521 12.007 1.00 0.00 H new ATOM 150 N PRO A 10 0.985 -2.429 16.057 1.00 0.00 N ATOM 151 CA PRO A 10 0.090 -3.293 16.880 1.00 0.00 C ATOM 152 C PRO A 10 -1.387 -3.137 16.444 1.00 0.00 C ATOM 153 O PRO A 10 -2.153 -4.110 16.403 1.00 0.00 O ATOM 154 CB PRO A 10 0.332 -2.795 18.337 1.00 0.00 C ATOM 155 CG PRO A 10 0.940 -1.431 18.188 1.00 0.00 C ATOM 156 CD PRO A 10 1.744 -1.481 16.907 1.00 0.00 C ATOM 0 HA PRO A 10 0.302 -4.357 16.772 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.601 -2.751 18.899 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.999 -3.467 18.878 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.169 -0.662 18.137 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.575 -1.190 19.040 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.820 -0.498 16.442 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.762 -1.829 17.085 1.00 0.00 H new ATOM 164 N ASN A 11 -1.754 -1.892 16.104 1.00 0.00 N ATOM 165 CA ASN A 11 -2.994 -1.571 15.395 1.00 0.00 C ATOM 166 C ASN A 11 -2.785 -1.865 13.893 1.00 0.00 C ATOM 167 O ASN A 11 -2.657 -0.958 13.056 1.00 0.00 O ATOM 168 CB ASN A 11 -3.416 -0.091 15.655 1.00 0.00 C ATOM 169 CG ASN A 11 -2.323 0.960 15.364 1.00 0.00 C ATOM 170 OD1 ASN A 11 -1.143 0.772 15.668 1.00 0.00 O ATOM 171 ND2 ASN A 11 -2.709 2.065 14.745 1.00 0.00 N ATOM 0 H ASN A 11 -1.187 -1.071 16.318 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.812 -2.190 15.764 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.289 0.135 15.042 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.724 0.006 16.696 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.024 2.783 14.509 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.691 2.198 14.504 1.00 0.00 H new ATOM 178 N HIS A 12 -2.765 -3.171 13.569 1.00 0.00 N ATOM 179 CA HIS A 12 -2.327 -3.700 12.252 1.00 0.00 C ATOM 180 C HIS A 12 -3.390 -3.532 11.146 1.00 0.00 C ATOM 181 O HIS A 12 -3.398 -4.293 10.183 1.00 0.00 O ATOM 182 CB HIS A 12 -1.890 -5.188 12.404 1.00 0.00 C ATOM 183 CG HIS A 12 -2.940 -6.097 12.997 1.00 0.00 C ATOM 184 ND1 HIS A 12 -3.143 -6.203 14.354 1.00 0.00 N ATOM 185 CD2 HIS A 12 -3.848 -6.929 12.420 1.00 0.00 C ATOM 186 CE1 HIS A 12 -4.119 -7.052 14.589 1.00 0.00 C ATOM 187 NE2 HIS A 12 -4.563 -7.511 13.435 1.00 0.00 N ATOM 0 H HIS A 12 -3.055 -3.902 14.218 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.473 -3.105 11.927 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.609 -5.572 11.423 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.999 -5.228 13.030 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -2.617 -5.700 15.068 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.981 -7.099 11.362 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.494 -7.327 15.564 1.00 0.00 H new ATOM 196 N ASN A 13 -4.278 -2.538 11.296 1.00 0.00 N ATOM 197 CA ASN A 13 -5.124 -2.019 10.205 1.00 0.00 C ATOM 198 C ASN A 13 -4.230 -1.493 9.065 1.00 0.00 C ATOM 199 O ASN A 13 -4.541 -1.671 7.889 1.00 0.00 O ATOM 200 CB ASN A 13 -6.031 -0.877 10.744 1.00 0.00 C ATOM 201 CG ASN A 13 -6.900 -0.200 9.672 1.00 0.00 C ATOM 202 OD1 ASN A 13 -6.483 0.763 9.029 1.00 0.00 O ATOM 203 ND2 ASN A 13 -8.114 -0.685 9.494 1.00 0.00 N ATOM 0 H ASN A 13 -4.432 -2.065 12.187 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.755 -2.820 9.821 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.681 -1.281 11.520 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.402 -0.122 11.216 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.737 -0.260 8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.429 -1.485 10.043 1.00 0.00 H new ATOM 210 N THR A 14 -3.093 -0.880 9.448 1.00 0.00 N ATOM 211 CA THR A 14 -2.144 -0.262 8.514 1.00 0.00 C ATOM 212 C THR A 14 -0.729 -0.856 8.690 1.00 0.00 C ATOM 213 O THR A 14 -0.419 -1.471 9.719 1.00 0.00 O ATOM 214 CB THR A 14 -2.116 1.296 8.706 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.340 1.914 7.666 1.00 0.00 O ATOM 216 CG2 THR A 14 -1.556 1.718 10.084 1.00 0.00 C ATOM 0 H THR A 14 -2.809 -0.802 10.425 1.00 0.00 H new ATOM 0 HA THR A 14 -2.478 -0.479 7.499 1.00 0.00 H new ATOM 0 HB THR A 14 -3.151 1.635 8.653 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.335 1.336 6.874 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.560 2.805 10.161 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.177 1.296 10.874 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.535 1.351 10.190 1.00 0.00 H new ATOM 224 N MET A 15 0.099 -0.702 7.640 1.00 0.00 N ATOM 225 CA MET A 15 1.553 -0.981 7.669 1.00 0.00 C ATOM 226 C MET A 15 2.281 0.153 6.946 1.00 0.00 C ATOM 227 O MET A 15 1.795 0.664 5.928 1.00 0.00 O ATOM 228 CB MET A 15 1.932 -2.316 6.967 1.00 0.00 C ATOM 229 CG MET A 15 1.391 -3.594 7.612 1.00 0.00 C ATOM 230 SD MET A 15 2.004 -5.095 6.801 1.00 0.00 S ATOM 231 CE MET A 15 1.756 -4.720 5.058 1.00 0.00 C ATOM 0 H MET A 15 -0.226 -0.375 6.730 1.00 0.00 H new ATOM 0 HA MET A 15 1.844 -1.060 8.716 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.577 -2.275 5.937 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.019 -2.386 6.927 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.673 -3.613 8.665 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.302 -3.583 7.574 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.658 -5.649 4.496 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.849 -4.127 4.939 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.610 -4.157 4.682 1.00 0.00 H new ATOM 241 N LYS A 16 3.453 0.515 7.464 1.00 0.00 N ATOM 242 CA LYS A 16 4.330 1.522 6.854 1.00 0.00 C ATOM 243 C LYS A 16 5.381 0.826 5.976 1.00 0.00 C ATOM 244 O LYS A 16 6.195 0.041 6.477 1.00 0.00 O ATOM 245 CB LYS A 16 5.038 2.343 7.951 1.00 0.00 C ATOM 246 CG LYS A 16 4.110 3.149 8.878 1.00 0.00 C ATOM 247 CD LYS A 16 4.881 3.800 10.051 1.00 0.00 C ATOM 248 CE LYS A 16 6.118 4.601 9.584 1.00 0.00 C ATOM 249 NZ LYS A 16 6.776 5.329 10.692 1.00 0.00 N ATOM 0 H LYS A 16 3.827 0.117 8.325 1.00 0.00 H new ATOM 0 HA LYS A 16 3.727 2.192 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.633 1.664 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.733 3.033 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.607 3.925 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.335 2.493 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.210 4.463 10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.198 3.023 10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.835 3.920 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.817 5.312 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.599 5.849 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.103 5.999 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.090 4.651 11.415 1.00 0.00 H new ATOM 263 N ILE A 17 5.340 1.098 4.671 1.00 0.00 N ATOM 264 CA ILE A 17 6.367 0.647 3.726 1.00 0.00 C ATOM 265 C ILE A 17 7.441 1.732 3.642 1.00 0.00 C ATOM 266 O ILE A 17 7.274 2.738 2.937 1.00 0.00 O ATOM 267 CB ILE A 17 5.751 0.359 2.310 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.583 -0.671 2.437 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.833 -0.126 1.299 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.754 -0.834 1.182 1.00 0.00 C ATOM 0 H ILE A 17 4.592 1.639 4.237 1.00 0.00 H new ATOM 0 HA ILE A 17 6.804 -0.288 4.076 1.00 0.00 H new ATOM 0 HB ILE A 17 5.349 1.292 1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.998 -1.641 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.929 -0.362 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.368 -0.315 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.599 0.642 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.290 -1.045 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.967 -1.567 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.306 0.123 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.392 -1.176 0.367 1.00 0.00 H new ATOM 282 N THR A 18 8.504 1.544 4.424 1.00 0.00 N ATOM 283 CA THR A 18 9.657 2.444 4.438 1.00 0.00 C ATOM 284 C THR A 18 10.381 2.371 3.083 1.00 0.00 C ATOM 285 O THR A 18 10.800 1.284 2.657 1.00 0.00 O ATOM 286 CB THR A 18 10.636 2.076 5.600 1.00 0.00 C ATOM 287 OG1 THR A 18 9.932 2.106 6.856 1.00 0.00 O ATOM 288 CG2 THR A 18 11.849 3.029 5.667 1.00 0.00 C ATOM 0 H THR A 18 8.590 0.759 5.069 1.00 0.00 H new ATOM 0 HA THR A 18 9.307 3.463 4.605 1.00 0.00 H new ATOM 0 HB THR A 18 11.014 1.073 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.548 1.873 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.500 2.733 6.490 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.403 2.979 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.502 4.049 5.829 1.00 0.00 H new ATOM 296 N LEU A 19 10.473 3.522 2.399 1.00 0.00 N ATOM 297 CA LEU A 19 11.149 3.634 1.097 1.00 0.00 C ATOM 298 C LEU A 19 12.654 3.921 1.299 1.00 0.00 C ATOM 299 O LEU A 19 13.182 3.709 2.398 1.00 0.00 O ATOM 300 CB LEU A 19 10.439 4.726 0.249 1.00 0.00 C ATOM 301 CG LEU A 19 8.910 4.496 0.007 1.00 0.00 C ATOM 302 CD1 LEU A 19 8.313 5.610 -0.873 1.00 0.00 C ATOM 303 CD2 LEU A 19 8.631 3.089 -0.581 1.00 0.00 C ATOM 0 H LEU A 19 10.080 4.402 2.733 1.00 0.00 H new ATOM 0 HA LEU A 19 11.082 2.692 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.571 5.689 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.937 4.793 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 19 8.412 4.541 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.250 5.424 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.446 6.573 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.820 5.622 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.559 2.965 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.150 2.983 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.988 2.328 0.113 1.00 0.00 H new ATOM 315 N SER A 20 13.334 4.443 0.255 1.00 0.00 N ATOM 316 CA SER A 20 14.815 4.547 0.190 1.00 0.00 C ATOM 317 C SER A 20 15.426 5.578 1.185 1.00 0.00 C ATOM 318 O SER A 20 16.629 5.849 1.105 1.00 0.00 O ATOM 319 CB SER A 20 15.222 4.901 -1.261 1.00 0.00 C ATOM 320 OG SER A 20 14.674 3.978 -2.190 1.00 0.00 O ATOM 0 H SER A 20 12.869 4.809 -0.576 1.00 0.00 H new ATOM 0 HA SER A 20 15.218 3.580 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.881 5.908 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.309 4.904 -1.346 1.00 0.00 H new ATOM 0 HG SER A 20 14.946 4.227 -3.098 1.00 0.00 H new ATOM 326 N GLU A 21 14.590 6.132 2.106 1.00 0.00 N ATOM 327 CA GLU A 21 14.989 7.098 3.152 1.00 0.00 C ATOM 328 C GLU A 21 15.433 8.432 2.522 1.00 0.00 C ATOM 329 O GLU A 21 16.519 8.522 1.943 1.00 0.00 O ATOM 330 CB GLU A 21 16.099 6.530 4.082 1.00 0.00 C ATOM 331 CG GLU A 21 15.720 5.261 4.869 1.00 0.00 C ATOM 332 CD GLU A 21 16.861 4.790 5.782 1.00 0.00 C ATOM 333 OE1 GLU A 21 17.053 5.397 6.858 1.00 0.00 O ATOM 334 OE2 GLU A 21 17.587 3.835 5.422 1.00 0.00 O ATOM 0 H GLU A 21 13.595 5.909 2.137 1.00 0.00 H new ATOM 0 HA GLU A 21 14.112 7.281 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.979 6.312 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.385 7.305 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.832 5.458 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.462 4.465 4.171 1.00 0.00 H new ATOM 341 N SER A 22 14.590 9.462 2.644 1.00 0.00 N ATOM 342 CA SER A 22 14.820 10.776 2.018 1.00 0.00 C ATOM 343 C SER A 22 14.401 11.915 2.966 1.00 0.00 C ATOM 344 O SER A 22 13.871 11.660 4.058 1.00 0.00 O ATOM 345 CB SER A 22 14.041 10.849 0.680 1.00 0.00 C ATOM 346 OG SER A 22 14.443 9.808 -0.201 1.00 0.00 O ATOM 0 H SER A 22 13.724 9.412 3.181 1.00 0.00 H new ATOM 0 HA SER A 22 15.884 10.896 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.971 10.774 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.212 11.816 0.208 1.00 0.00 H new ATOM 0 HG SER A 22 13.937 9.874 -1.038 1.00 0.00 H new ATOM 352 N ARG A 23 14.681 13.171 2.542 1.00 0.00 N ATOM 353 CA ARG A 23 14.225 14.386 3.251 1.00 0.00 C ATOM 354 C ARG A 23 12.688 14.360 3.393 1.00 0.00 C ATOM 355 O ARG A 23 11.989 14.067 2.413 1.00 0.00 O ATOM 356 CB ARG A 23 14.695 15.689 2.520 1.00 0.00 C ATOM 357 CG ARG A 23 16.119 16.197 2.886 1.00 0.00 C ATOM 358 CD ARG A 23 17.251 15.210 2.546 1.00 0.00 C ATOM 359 NE ARG A 23 18.583 15.788 2.827 1.00 0.00 N ATOM 360 CZ ARG A 23 19.716 15.092 3.042 1.00 0.00 C ATOM 361 NH1 ARG A 23 19.727 13.776 3.033 1.00 0.00 N ATOM 362 NH2 ARG A 23 20.844 15.738 3.242 1.00 0.00 N ATOM 0 H ARG A 23 15.227 13.367 1.703 1.00 0.00 H new ATOM 0 HA ARG A 23 14.675 14.394 4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.658 15.513 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.980 16.483 2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.302 17.136 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 23 16.151 16.415 3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 23 17.122 14.295 3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.189 14.933 1.493 1.00 0.00 H new ATOM 0 HE ARG A 23 18.650 16.805 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 23 18.864 13.260 2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.598 13.272 3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.856 16.758 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 23 21.707 15.219 3.406 1.00 0.00 H new ATOM 376 N GLU A 24 12.209 14.656 4.621 1.00 0.00 N ATOM 377 CA GLU A 24 10.797 14.502 5.032 1.00 0.00 C ATOM 378 C GLU A 24 9.825 15.242 4.093 1.00 0.00 C ATOM 379 O GLU A 24 9.573 16.441 4.249 1.00 0.00 O ATOM 380 CB GLU A 24 10.623 14.972 6.498 1.00 0.00 C ATOM 381 CG GLU A 24 11.437 14.158 7.525 1.00 0.00 C ATOM 382 CD GLU A 24 11.385 14.764 8.938 1.00 0.00 C ATOM 383 OE1 GLU A 24 10.422 14.483 9.687 1.00 0.00 O ATOM 384 OE2 GLU A 24 12.300 15.544 9.296 1.00 0.00 O ATOM 0 H GLU A 24 12.804 15.015 5.368 1.00 0.00 H new ATOM 0 HA GLU A 24 10.545 13.444 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.915 16.020 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.567 14.917 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.056 13.137 7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.475 14.101 7.197 1.00 0.00 H new ATOM 391 N GLY A 25 9.353 14.502 3.080 1.00 0.00 N ATOM 392 CA GLY A 25 8.376 14.974 2.114 1.00 0.00 C ATOM 393 C GLY A 25 7.792 13.795 1.357 1.00 0.00 C ATOM 394 O GLY A 25 6.640 13.412 1.601 1.00 0.00 O ATOM 0 H GLY A 25 9.651 13.541 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.582 15.521 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.846 15.669 1.418 1.00 0.00 H new ATOM 398 N MET A 26 8.617 13.214 0.441 1.00 0.00 N ATOM 399 CA MET A 26 8.291 11.998 -0.368 1.00 0.00 C ATOM 400 C MET A 26 6.916 12.121 -1.099 1.00 0.00 C ATOM 401 O MET A 26 6.338 11.126 -1.538 1.00 0.00 O ATOM 402 CB MET A 26 8.375 10.733 0.552 1.00 0.00 C ATOM 403 CG MET A 26 8.277 9.363 -0.145 1.00 0.00 C ATOM 404 SD MET A 26 9.608 9.047 -1.325 1.00 0.00 S ATOM 405 CE MET A 26 11.018 8.793 -0.247 1.00 0.00 C ATOM 0 H MET A 26 9.546 13.583 0.238 1.00 0.00 H new ATOM 0 HA MET A 26 9.027 11.897 -1.166 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.318 10.771 1.097 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.577 10.796 1.291 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.282 8.579 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.321 9.298 -0.664 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.925 8.713 -0.847 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.109 9.636 0.438 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.879 7.875 0.324 1.00 0.00 H new ATOM 415 N THR A 27 6.457 13.379 -1.287 1.00 0.00 N ATOM 416 CA THR A 27 5.090 13.739 -1.735 1.00 0.00 C ATOM 417 C THR A 27 4.043 13.375 -0.640 1.00 0.00 C ATOM 418 O THR A 27 4.072 12.277 -0.059 1.00 0.00 O ATOM 419 CB THR A 27 4.679 13.088 -3.109 1.00 0.00 C ATOM 420 OG1 THR A 27 5.818 13.022 -3.982 1.00 0.00 O ATOM 421 CG2 THR A 27 3.549 13.863 -3.822 1.00 0.00 C ATOM 0 H THR A 27 7.044 14.197 -1.127 1.00 0.00 H new ATOM 0 HA THR A 27 5.103 14.817 -1.896 1.00 0.00 H new ATOM 0 HB THR A 27 4.308 12.088 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.554 12.614 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.307 13.369 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.665 13.884 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.877 14.883 -4.021 1.00 0.00 H new ATOM 429 N SER A 28 3.121 14.307 -0.392 1.00 0.00 N ATOM 430 CA SER A 28 2.071 14.176 0.636 1.00 0.00 C ATOM 431 C SER A 28 0.745 13.813 -0.055 1.00 0.00 C ATOM 432 O SER A 28 0.196 14.608 -0.828 1.00 0.00 O ATOM 433 CB SER A 28 1.948 15.490 1.448 1.00 0.00 C ATOM 434 OG SER A 28 1.742 16.609 0.598 1.00 0.00 O ATOM 0 H SER A 28 3.077 15.188 -0.903 1.00 0.00 H new ATOM 0 HA SER A 28 2.330 13.384 1.339 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.119 15.408 2.151 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.852 15.641 2.037 1.00 0.00 H new ATOM 0 HG SER A 28 1.147 16.355 -0.138 1.00 0.00 H new ATOM 440 N ASP A 29 0.241 12.603 0.226 1.00 0.00 N ATOM 441 CA ASP A 29 -0.900 11.997 -0.481 1.00 0.00 C ATOM 442 C ASP A 29 -1.835 11.306 0.518 1.00 0.00 C ATOM 443 O ASP A 29 -1.432 10.945 1.634 1.00 0.00 O ATOM 444 CB ASP A 29 -0.420 10.941 -1.522 1.00 0.00 C ATOM 445 CG ASP A 29 0.613 11.483 -2.523 1.00 0.00 C ATOM 446 OD1 ASP A 29 0.220 12.155 -3.503 1.00 0.00 O ATOM 447 OD2 ASP A 29 1.823 11.232 -2.338 1.00 0.00 O ATOM 0 H ASP A 29 0.620 12.007 0.962 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.428 12.798 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.012 10.092 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.284 10.567 -2.072 1.00 0.00 H new ATOM 452 N THR A 30 -3.082 11.124 0.079 1.00 0.00 N ATOM 453 CA THR A 30 -4.112 10.359 0.778 1.00 0.00 C ATOM 454 C THR A 30 -5.067 9.788 -0.294 1.00 0.00 C ATOM 455 O THR A 30 -5.964 10.471 -0.790 1.00 0.00 O ATOM 456 CB THR A 30 -4.856 11.228 1.864 1.00 0.00 C ATOM 457 OG1 THR A 30 -5.982 10.514 2.404 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.307 12.608 1.329 1.00 0.00 C ATOM 0 H THR A 30 -3.412 11.519 -0.802 1.00 0.00 H new ATOM 0 HA THR A 30 -3.665 9.539 1.340 1.00 0.00 H new ATOM 0 HB THR A 30 -4.131 11.415 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.429 11.069 3.077 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.812 13.158 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.436 13.171 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.991 12.468 0.492 1.00 0.00 H new ATOM 466 N TYR A 31 -4.791 8.548 -0.717 1.00 0.00 N ATOM 467 CA TYR A 31 -5.502 7.881 -1.811 1.00 0.00 C ATOM 468 C TYR A 31 -6.629 6.992 -1.260 1.00 0.00 C ATOM 469 O TYR A 31 -6.387 5.837 -0.916 1.00 0.00 O ATOM 470 CB TYR A 31 -4.508 7.033 -2.653 1.00 0.00 C ATOM 471 CG TYR A 31 -3.404 7.830 -3.374 1.00 0.00 C ATOM 472 CD1 TYR A 31 -3.693 9.028 -4.041 1.00 0.00 C ATOM 473 CD2 TYR A 31 -2.085 7.357 -3.429 1.00 0.00 C ATOM 474 CE1 TYR A 31 -2.713 9.720 -4.726 1.00 0.00 C ATOM 475 CE2 TYR A 31 -1.105 8.052 -4.109 1.00 0.00 C ATOM 476 CZ TYR A 31 -1.424 9.230 -4.757 1.00 0.00 C ATOM 477 OH TYR A 31 -0.447 9.923 -5.437 1.00 0.00 O ATOM 0 H TYR A 31 -4.057 7.973 -0.302 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.948 8.642 -2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.035 6.302 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.074 6.474 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.700 9.417 -4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.831 6.433 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.955 10.641 -5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.093 7.676 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.172 10.702 -4.910 1.00 0.00 H new ATOM 487 N THR A 32 -7.848 7.548 -1.155 1.00 0.00 N ATOM 488 CA THR A 32 -9.052 6.783 -0.753 1.00 0.00 C ATOM 489 C THR A 32 -9.768 6.249 -2.009 1.00 0.00 C ATOM 490 O THR A 32 -10.495 5.254 -1.956 1.00 0.00 O ATOM 491 CB THR A 32 -10.036 7.665 0.094 1.00 0.00 C ATOM 492 OG1 THR A 32 -10.482 8.789 -0.687 1.00 0.00 O ATOM 493 CG2 THR A 32 -9.377 8.171 1.397 1.00 0.00 C ATOM 0 H THR A 32 -8.031 8.533 -1.344 1.00 0.00 H new ATOM 0 HA THR A 32 -8.733 5.948 -0.129 1.00 0.00 H new ATOM 0 HB THR A 32 -10.886 7.040 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.097 9.335 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.091 8.777 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.072 7.319 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.502 8.774 1.152 1.00 0.00 H new ATOM 501 N LYS A 33 -9.521 6.927 -3.134 1.00 0.00 N ATOM 502 CA LYS A 33 -10.060 6.582 -4.455 1.00 0.00 C ATOM 503 C LYS A 33 -8.907 5.976 -5.310 1.00 0.00 C ATOM 504 O LYS A 33 -7.870 5.590 -4.761 1.00 0.00 O ATOM 505 CB LYS A 33 -10.678 7.887 -5.072 1.00 0.00 C ATOM 506 CG LYS A 33 -11.670 7.679 -6.243 1.00 0.00 C ATOM 507 CD LYS A 33 -12.271 8.997 -6.782 1.00 0.00 C ATOM 508 CE LYS A 33 -13.149 9.719 -5.744 1.00 0.00 C ATOM 509 NZ LYS A 33 -14.262 8.856 -5.251 1.00 0.00 N ATOM 0 H LYS A 33 -8.924 7.754 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.850 5.832 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.191 8.432 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.863 8.522 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.158 7.163 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.479 7.028 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.463 9.660 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.866 8.784 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.532 10.030 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.563 10.625 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.932 9.433 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.755 8.429 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.876 8.104 -4.645 1.00 0.00 H new ATOM 523 N VAL A 34 -9.069 5.934 -6.646 1.00 0.00 N ATOM 524 CA VAL A 34 -8.119 5.329 -7.596 1.00 0.00 C ATOM 525 C VAL A 34 -8.253 6.148 -8.897 1.00 0.00 C ATOM 526 O VAL A 34 -9.027 5.806 -9.802 1.00 0.00 O ATOM 527 CB VAL A 34 -8.423 3.789 -7.904 1.00 0.00 C ATOM 528 CG1 VAL A 34 -7.381 3.180 -8.868 1.00 0.00 C ATOM 529 CG2 VAL A 34 -8.519 2.925 -6.626 1.00 0.00 C ATOM 0 H VAL A 34 -9.888 6.332 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.116 5.352 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.401 3.777 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.623 2.133 -9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.395 3.726 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.389 3.250 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.727 1.891 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.576 2.974 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.323 3.300 -5.992 1.00 0.00 H new ATOM 539 N ASP A 35 -7.536 7.283 -8.931 1.00 0.00 N ATOM 540 CA ASP A 35 -7.681 8.310 -9.980 1.00 0.00 C ATOM 541 C ASP A 35 -6.452 9.265 -9.917 1.00 0.00 C ATOM 542 O ASP A 35 -5.330 8.772 -9.756 1.00 0.00 O ATOM 543 CB ASP A 35 -9.055 9.053 -9.788 1.00 0.00 C ATOM 544 CG ASP A 35 -9.559 9.734 -11.079 1.00 0.00 C ATOM 545 OD1 ASP A 35 -10.084 9.022 -11.964 1.00 0.00 O ATOM 546 OD2 ASP A 35 -9.439 10.974 -11.215 1.00 0.00 O ATOM 0 H ASP A 35 -6.835 7.517 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.697 7.867 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.803 8.338 -9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.949 9.804 -9.005 1.00 0.00 H new ATOM 551 N ASP A 36 -6.662 10.601 -10.055 1.00 0.00 N ATOM 552 CA ASP A 36 -5.607 11.628 -10.017 1.00 0.00 C ATOM 553 C ASP A 36 -4.628 11.445 -11.203 1.00 0.00 C ATOM 554 O ASP A 36 -4.890 11.954 -12.300 1.00 0.00 O ATOM 555 CB ASP A 36 -4.899 11.652 -8.619 1.00 0.00 C ATOM 556 CG ASP A 36 -3.738 12.657 -8.526 1.00 0.00 C ATOM 557 OD1 ASP A 36 -4.000 13.866 -8.350 1.00 0.00 O ATOM 558 OD2 ASP A 36 -2.563 12.249 -8.662 1.00 0.00 O ATOM 0 H ASP A 36 -7.592 10.994 -10.198 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.059 12.612 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.637 11.892 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.522 10.654 -8.397 1.00 0.00 H new ATOM 563 N SER A 37 -3.547 10.674 -10.977 1.00 0.00 N ATOM 564 CA SER A 37 -2.549 10.292 -11.995 1.00 0.00 C ATOM 565 C SER A 37 -1.567 9.263 -11.390 1.00 0.00 C ATOM 566 O SER A 37 -0.467 9.064 -11.912 1.00 0.00 O ATOM 567 CB SER A 37 -1.792 11.546 -12.517 1.00 0.00 C ATOM 568 OG SER A 37 -1.246 12.306 -11.449 1.00 0.00 O ATOM 0 H SER A 37 -3.338 10.289 -10.056 1.00 0.00 H new ATOM 0 HA SER A 37 -3.057 9.837 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.993 11.236 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.473 12.169 -13.097 1.00 0.00 H new ATOM 0 HG SER A 37 -0.775 13.086 -11.810 1.00 0.00 H new ATOM 574 N GLN A 38 -2.006 8.587 -10.301 1.00 0.00 N ATOM 575 CA GLN A 38 -1.187 7.632 -9.540 1.00 0.00 C ATOM 576 C GLN A 38 -0.836 6.400 -10.419 1.00 0.00 C ATOM 577 O GLN A 38 -1.674 5.975 -11.227 1.00 0.00 O ATOM 578 CB GLN A 38 -1.954 7.192 -8.256 1.00 0.00 C ATOM 579 CG GLN A 38 -3.298 6.496 -8.543 1.00 0.00 C ATOM 580 CD GLN A 38 -4.047 5.993 -7.318 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.964 6.567 -6.241 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.789 4.904 -7.481 1.00 0.00 N ATOM 0 H GLN A 38 -2.949 8.695 -9.928 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.255 8.114 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.322 6.517 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.135 8.068 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.941 7.193 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.116 5.652 -9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.836 4.450 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.313 4.521 -6.694 1.00 0.00 H new ATOM 591 N PRO A 39 0.414 5.830 -10.285 1.00 0.00 N ATOM 592 CA PRO A 39 0.868 4.641 -11.066 1.00 0.00 C ATOM 593 C PRO A 39 -0.137 3.469 -11.036 1.00 0.00 C ATOM 594 O PRO A 39 -0.736 3.202 -9.993 1.00 0.00 O ATOM 595 CB PRO A 39 2.193 4.239 -10.368 1.00 0.00 C ATOM 596 CG PRO A 39 2.710 5.510 -9.769 1.00 0.00 C ATOM 597 CD PRO A 39 1.484 6.317 -9.372 1.00 0.00 C ATOM 0 HA PRO A 39 0.975 4.878 -12.125 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.023 3.481 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.904 3.819 -11.080 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.339 5.305 -8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.322 6.058 -10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.221 6.153 -8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.655 7.387 -9.494 1.00 0.00 H new ATOM 605 N ALA A 40 -0.292 2.782 -12.184 1.00 0.00 N ATOM 606 CA ALA A 40 -1.238 1.655 -12.353 1.00 0.00 C ATOM 607 C ALA A 40 -0.944 0.508 -11.362 1.00 0.00 C ATOM 608 O ALA A 40 -1.854 -0.174 -10.894 1.00 0.00 O ATOM 609 CB ALA A 40 -1.204 1.151 -13.802 1.00 0.00 C ATOM 0 H ALA A 40 0.239 2.993 -13.029 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.241 2.021 -12.131 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.903 0.322 -13.916 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.488 1.960 -14.475 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.197 0.812 -14.046 1.00 0.00 H new ATOM 615 N PHE A 41 0.338 0.344 -11.023 1.00 0.00 N ATOM 616 CA PHE A 41 0.791 -0.645 -10.030 1.00 0.00 C ATOM 617 C PHE A 41 0.252 -0.297 -8.615 1.00 0.00 C ATOM 618 O PHE A 41 -0.122 -1.181 -7.843 1.00 0.00 O ATOM 619 CB PHE A 41 2.337 -0.721 -10.048 1.00 0.00 C ATOM 620 CG PHE A 41 2.927 -0.999 -11.435 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.829 -2.265 -12.016 1.00 0.00 C ATOM 622 CD2 PHE A 41 3.574 0.007 -12.156 1.00 0.00 C ATOM 623 CE1 PHE A 41 3.356 -2.512 -13.272 1.00 0.00 C ATOM 624 CE2 PHE A 41 4.099 -0.241 -13.409 1.00 0.00 C ATOM 625 CZ PHE A 41 3.994 -1.501 -13.966 1.00 0.00 C ATOM 0 H PHE A 41 1.096 0.893 -11.428 1.00 0.00 H new ATOM 0 HA PHE A 41 0.392 -1.625 -10.291 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.742 0.219 -9.673 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.661 -1.504 -9.362 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.336 -3.062 -11.479 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.665 0.994 -11.727 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.269 -3.495 -13.710 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.592 0.551 -13.954 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.410 -1.696 -14.943 1.00 0.00 H new ATOM 635 N ILE A 42 0.183 1.016 -8.308 1.00 0.00 N ATOM 636 CA ILE A 42 -0.405 1.533 -7.048 1.00 0.00 C ATOM 637 C ILE A 42 -1.952 1.414 -7.092 1.00 0.00 C ATOM 638 O ILE A 42 -2.608 1.241 -6.042 1.00 0.00 O ATOM 639 CB ILE A 42 0.039 3.030 -6.790 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.605 3.158 -6.773 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.581 3.610 -5.484 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.315 2.344 -5.701 1.00 0.00 C ATOM 0 H ILE A 42 0.533 1.749 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.034 0.929 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.345 3.624 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.988 2.856 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.865 4.208 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.248 4.639 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.668 3.587 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.261 3.010 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.391 2.503 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.970 2.659 -4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.094 1.286 -5.842 1.00 0.00 H new ATOM 654 N ASN A 43 -2.527 1.442 -8.333 1.00 0.00 N ATOM 655 CA ASN A 43 -3.976 1.259 -8.541 1.00 0.00 C ATOM 656 C ASN A 43 -4.363 -0.137 -8.054 1.00 0.00 C ATOM 657 O ASN A 43 -5.367 -0.289 -7.370 1.00 0.00 O ATOM 658 CB ASN A 43 -4.382 1.419 -10.039 1.00 0.00 C ATOM 659 CG ASN A 43 -4.325 2.845 -10.609 1.00 0.00 C ATOM 660 OD1 ASN A 43 -5.100 3.186 -11.500 1.00 0.00 O ATOM 661 ND2 ASN A 43 -3.428 3.686 -10.130 1.00 0.00 N ATOM 0 H ASN A 43 -2.000 1.590 -9.194 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.502 2.030 -7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.731 0.784 -10.640 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.397 1.042 -10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.370 4.635 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.792 3.387 -9.390 1.00 0.00 H new ATOM 668 N ASP A 44 -3.500 -1.127 -8.379 1.00 0.00 N ATOM 669 CA ASP A 44 -3.689 -2.541 -7.999 1.00 0.00 C ATOM 670 C ASP A 44 -3.804 -2.702 -6.475 1.00 0.00 C ATOM 671 O ASP A 44 -4.701 -3.399 -6.004 1.00 0.00 O ATOM 672 CB ASP A 44 -2.524 -3.414 -8.532 1.00 0.00 C ATOM 673 CG ASP A 44 -2.699 -4.909 -8.192 1.00 0.00 C ATOM 674 OD1 ASP A 44 -3.360 -5.634 -8.969 1.00 0.00 O ATOM 675 OD2 ASP A 44 -2.207 -5.359 -7.129 1.00 0.00 O ATOM 0 H ASP A 44 -2.648 -0.963 -8.916 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.622 -2.877 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.453 -3.297 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.585 -3.057 -8.110 1.00 0.00 H new ATOM 680 N ILE A 45 -2.894 -2.038 -5.725 1.00 0.00 N ATOM 681 CA ILE A 45 -2.871 -2.095 -4.242 1.00 0.00 C ATOM 682 C ILE A 45 -4.237 -1.675 -3.677 1.00 0.00 C ATOM 683 O ILE A 45 -4.831 -2.380 -2.872 1.00 0.00 O ATOM 684 CB ILE A 45 -1.752 -1.175 -3.618 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.355 -1.507 -4.223 1.00 0.00 C ATOM 686 CG2 ILE A 45 -1.725 -1.296 -2.067 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.790 -0.621 -3.740 1.00 0.00 C ATOM 0 H ILE A 45 -2.161 -1.452 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.646 -3.126 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.994 -0.142 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.113 -2.544 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.419 -1.430 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.944 -0.651 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.690 -0.993 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.522 -2.329 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.718 -0.933 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.580 0.417 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.891 -0.714 -2.659 1.00 0.00 H new ATOM 699 N LEU A 46 -4.732 -0.539 -4.170 1.00 0.00 N ATOM 700 CA LEU A 46 -6.054 -0.002 -3.798 1.00 0.00 C ATOM 701 C LEU A 46 -7.218 -0.917 -4.260 1.00 0.00 C ATOM 702 O LEU A 46 -8.256 -0.972 -3.596 1.00 0.00 O ATOM 703 CB LEU A 46 -6.175 1.439 -4.333 1.00 0.00 C ATOM 704 CG LEU A 46 -5.296 2.482 -3.566 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.117 3.784 -4.352 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.885 2.760 -2.160 1.00 0.00 C ATOM 0 H LEU A 46 -4.230 0.041 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.136 0.022 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.895 1.449 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.219 1.749 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.304 2.045 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.500 4.474 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.632 3.570 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.092 4.235 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.261 3.488 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.896 3.155 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.913 1.833 -1.588 1.00 0.00 H new ATOM 718 N LYS A 47 -7.036 -1.604 -5.410 1.00 0.00 N ATOM 719 CA LYS A 47 -8.021 -2.574 -5.958 1.00 0.00 C ATOM 720 C LYS A 47 -8.074 -3.877 -5.140 1.00 0.00 C ATOM 721 O LYS A 47 -9.036 -4.637 -5.278 1.00 0.00 O ATOM 722 CB LYS A 47 -7.700 -2.930 -7.434 1.00 0.00 C ATOM 723 CG LYS A 47 -7.893 -1.781 -8.436 1.00 0.00 C ATOM 724 CD LYS A 47 -7.415 -2.162 -9.856 1.00 0.00 C ATOM 725 CE LYS A 47 -7.509 -0.993 -10.845 1.00 0.00 C ATOM 726 NZ LYS A 47 -8.904 -0.520 -11.016 1.00 0.00 N ATOM 0 H LYS A 47 -6.202 -1.504 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.992 -2.082 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.667 -3.274 -7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.332 -3.765 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.947 -1.504 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.344 -0.904 -8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.383 -2.509 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.014 -2.994 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.888 -0.170 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.110 -1.303 -11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.929 0.236 -11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.503 -1.311 -11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.260 -0.153 -10.110 1.00 0.00 H new ATOM 740 N VAL A 48 -7.025 -4.161 -4.332 1.00 0.00 N ATOM 741 CA VAL A 48 -6.984 -5.376 -3.496 1.00 0.00 C ATOM 742 C VAL A 48 -8.157 -5.357 -2.502 1.00 0.00 C ATOM 743 O VAL A 48 -8.264 -4.424 -1.691 1.00 0.00 O ATOM 744 CB VAL A 48 -5.627 -5.546 -2.705 1.00 0.00 C ATOM 745 CG1 VAL A 48 -5.635 -6.822 -1.826 1.00 0.00 C ATOM 746 CG2 VAL A 48 -4.407 -5.554 -3.658 1.00 0.00 C ATOM 0 H VAL A 48 -6.201 -3.566 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.064 -6.226 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.536 -4.682 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.686 -6.905 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.449 -6.761 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.776 -7.699 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.492 -5.673 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.500 -6.381 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.368 -4.613 -4.207 1.00 0.00 H new ATOM 756 N GLU A 49 -9.050 -6.363 -2.625 1.00 0.00 N ATOM 757 CA GLU A 49 -10.179 -6.565 -1.700 1.00 0.00 C ATOM 758 C GLU A 49 -9.638 -6.709 -0.266 1.00 0.00 C ATOM 759 O GLU A 49 -9.114 -7.760 0.109 1.00 0.00 O ATOM 760 CB GLU A 49 -11.035 -7.807 -2.111 1.00 0.00 C ATOM 761 CG GLU A 49 -12.018 -7.589 -3.294 1.00 0.00 C ATOM 762 CD GLU A 49 -11.361 -7.114 -4.602 1.00 0.00 C ATOM 763 OE1 GLU A 49 -10.416 -7.777 -5.073 1.00 0.00 O ATOM 764 OE2 GLU A 49 -11.807 -6.102 -5.178 1.00 0.00 O ATOM 0 H GLU A 49 -9.005 -7.057 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.838 -5.698 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.358 -8.621 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.608 -8.133 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.544 -8.524 -3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.768 -6.857 -2.994 1.00 0.00 H new ATOM 771 N GLY A 50 -9.723 -5.608 0.480 1.00 0.00 N ATOM 772 CA GLY A 50 -9.120 -5.469 1.793 1.00 0.00 C ATOM 773 C GLY A 50 -8.737 -4.020 2.040 1.00 0.00 C ATOM 774 O GLY A 50 -9.212 -3.405 2.987 1.00 0.00 O ATOM 0 H GLY A 50 -10.225 -4.774 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.818 -5.805 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.237 -6.104 1.866 1.00 0.00 H new ATOM 778 N VAL A 51 -7.916 -3.459 1.126 1.00 0.00 N ATOM 779 CA VAL A 51 -7.349 -2.092 1.252 1.00 0.00 C ATOM 780 C VAL A 51 -8.450 -1.014 1.233 1.00 0.00 C ATOM 781 O VAL A 51 -9.284 -0.982 0.324 1.00 0.00 O ATOM 782 CB VAL A 51 -6.290 -1.799 0.128 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.711 -0.356 0.212 1.00 0.00 C ATOM 784 CG2 VAL A 51 -5.152 -2.839 0.183 1.00 0.00 C ATOM 0 H VAL A 51 -7.625 -3.941 0.275 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.846 -2.051 2.218 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.808 -1.878 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.985 -0.208 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.520 0.367 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.223 -0.216 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.425 -2.625 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.662 -2.791 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.564 -3.837 0.033 1.00 0.00 H new ATOM 794 N LYS A 52 -8.424 -0.139 2.248 1.00 0.00 N ATOM 795 CA LYS A 52 -9.387 0.945 2.418 1.00 0.00 C ATOM 796 C LYS A 52 -8.828 2.203 1.740 1.00 0.00 C ATOM 797 O LYS A 52 -9.535 2.864 0.965 1.00 0.00 O ATOM 798 CB LYS A 52 -9.674 1.179 3.932 1.00 0.00 C ATOM 799 CG LYS A 52 -10.691 2.305 4.228 1.00 0.00 C ATOM 800 CD LYS A 52 -11.125 2.415 5.717 1.00 0.00 C ATOM 801 CE LYS A 52 -10.038 2.963 6.675 1.00 0.00 C ATOM 802 NZ LYS A 52 -8.990 1.961 7.014 1.00 0.00 N ATOM 0 H LYS A 52 -7.719 -0.170 2.984 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.337 0.688 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.044 0.250 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.735 1.414 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.259 3.257 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.579 2.144 3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.001 3.061 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.431 1.428 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.565 3.832 6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.513 3.306 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.802 1.988 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.319 1.011 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.116 2.183 6.495 1.00 0.00 H new ATOM 816 N SER A 53 -7.532 2.494 2.009 1.00 0.00 N ATOM 817 CA SER A 53 -6.824 3.638 1.405 1.00 0.00 C ATOM 818 C SER A 53 -5.297 3.538 1.617 1.00 0.00 C ATOM 819 O SER A 53 -4.808 2.575 2.210 1.00 0.00 O ATOM 820 CB SER A 53 -7.392 4.971 1.959 1.00 0.00 C ATOM 821 OG SER A 53 -7.457 4.983 3.368 1.00 0.00 O ATOM 0 H SER A 53 -6.956 1.944 2.646 1.00 0.00 H new ATOM 0 HA SER A 53 -6.993 3.616 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.768 5.798 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.389 5.136 1.550 1.00 0.00 H new ATOM 0 HG SER A 53 -6.591 4.711 3.738 1.00 0.00 H new ATOM 827 N ILE A 54 -4.551 4.527 1.081 1.00 0.00 N ATOM 828 CA ILE A 54 -3.086 4.644 1.244 1.00 0.00 C ATOM 829 C ILE A 54 -2.731 6.086 1.661 1.00 0.00 C ATOM 830 O ILE A 54 -2.885 7.020 0.864 1.00 0.00 O ATOM 831 CB ILE A 54 -2.306 4.292 -0.091 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.519 2.800 -0.499 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.789 4.612 0.033 1.00 0.00 C ATOM 834 CD1 ILE A 54 -1.852 2.394 -1.808 1.00 0.00 C ATOM 0 H ILE A 54 -4.953 5.275 0.517 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.784 3.931 2.011 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.720 4.922 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.139 2.162 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.589 2.609 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.286 4.358 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.657 5.674 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.359 4.028 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.055 1.342 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.248 3.002 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.776 2.548 -1.731 1.00 0.00 H new ATOM 846 N PHE A 55 -2.268 6.261 2.906 1.00 0.00 N ATOM 847 CA PHE A 55 -1.681 7.530 3.371 1.00 0.00 C ATOM 848 C PHE A 55 -0.164 7.486 3.103 1.00 0.00 C ATOM 849 O PHE A 55 0.510 6.559 3.531 1.00 0.00 O ATOM 850 CB PHE A 55 -1.979 7.744 4.880 1.00 0.00 C ATOM 851 CG PHE A 55 -1.528 9.103 5.417 1.00 0.00 C ATOM 852 CD1 PHE A 55 -2.105 10.279 4.933 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.540 9.206 6.399 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.709 11.511 5.412 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.148 10.440 6.878 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.730 11.592 6.383 1.00 0.00 C ATOM 0 H PHE A 55 -2.288 5.531 3.619 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.121 8.369 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.051 7.637 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.487 6.957 5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.871 10.224 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.078 8.311 6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.164 12.412 5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.614 10.505 7.640 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.419 12.557 6.756 1.00 0.00 H new ATOM 866 N HIS A 56 0.359 8.489 2.397 1.00 0.00 N ATOM 867 CA HIS A 56 1.764 8.515 1.925 1.00 0.00 C ATOM 868 C HIS A 56 2.380 9.881 2.248 1.00 0.00 C ATOM 869 O HIS A 56 1.838 10.894 1.827 1.00 0.00 O ATOM 870 CB HIS A 56 1.773 8.235 0.395 1.00 0.00 C ATOM 871 CG HIS A 56 3.120 8.306 -0.279 1.00 0.00 C ATOM 872 ND1 HIS A 56 3.296 8.839 -1.534 1.00 0.00 N ATOM 873 CD2 HIS A 56 4.336 7.844 0.098 1.00 0.00 C ATOM 874 CE1 HIS A 56 4.550 8.703 -1.902 1.00 0.00 C ATOM 875 NE2 HIS A 56 5.203 8.100 -0.930 1.00 0.00 N ATOM 0 H HIS A 56 -0.175 9.316 2.129 1.00 0.00 H new ATOM 0 HA HIS A 56 2.359 7.751 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.355 7.243 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.108 8.949 -0.090 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.564 9.274 -2.095 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.577 7.363 1.035 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.973 9.030 -2.841 1.00 0.00 H new ATOM 884 N VAL A 57 3.503 9.901 2.995 1.00 0.00 N ATOM 885 CA VAL A 57 4.153 11.164 3.408 1.00 0.00 C ATOM 886 C VAL A 57 5.559 10.884 3.987 1.00 0.00 C ATOM 887 O VAL A 57 5.849 9.745 4.368 1.00 0.00 O ATOM 888 CB VAL A 57 3.253 11.946 4.460 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.207 11.224 5.824 1.00 0.00 C ATOM 890 CG2 VAL A 57 3.677 13.429 4.618 1.00 0.00 C ATOM 0 H VAL A 57 3.978 9.060 3.324 1.00 0.00 H new ATOM 0 HA VAL A 57 4.265 11.796 2.527 1.00 0.00 H new ATOM 0 HB VAL A 57 2.241 11.950 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.582 11.790 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.790 10.225 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.216 11.146 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.030 13.917 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.711 13.477 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.588 13.937 3.658 1.00 0.00 H new ATOM 900 N MET A 58 6.390 11.958 4.021 1.00 0.00 N ATOM 901 CA MET A 58 7.765 12.051 4.602 1.00 0.00 C ATOM 902 C MET A 58 8.784 11.029 4.038 1.00 0.00 C ATOM 903 O MET A 58 9.796 11.437 3.448 1.00 0.00 O ATOM 904 CB MET A 58 7.794 12.138 6.167 1.00 0.00 C ATOM 905 CG MET A 58 7.302 10.915 6.930 1.00 0.00 C ATOM 906 SD MET A 58 7.502 11.046 8.719 1.00 0.00 S ATOM 907 CE MET A 58 9.287 11.077 8.868 1.00 0.00 C ATOM 0 H MET A 58 6.101 12.848 3.615 1.00 0.00 H new ATOM 0 HA MET A 58 8.118 13.018 4.245 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.819 12.343 6.477 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.191 12.994 6.471 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.248 10.755 6.702 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.841 10.036 6.577 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.597 10.410 9.672 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.736 10.748 7.931 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.616 12.092 9.091 1.00 0.00 H new ATOM 917 N ASP A 59 8.531 9.727 4.216 1.00 0.00 N ATOM 918 CA ASP A 59 9.354 8.648 3.634 1.00 0.00 C ATOM 919 C ASP A 59 8.507 7.386 3.374 1.00 0.00 C ATOM 920 O ASP A 59 8.773 6.643 2.428 1.00 0.00 O ATOM 921 CB ASP A 59 10.554 8.306 4.562 1.00 0.00 C ATOM 922 CG ASP A 59 10.127 7.641 5.889 1.00 0.00 C ATOM 923 OD1 ASP A 59 9.672 8.358 6.807 1.00 0.00 O ATOM 924 OD2 ASP A 59 10.221 6.392 6.008 1.00 0.00 O ATOM 0 H ASP A 59 7.746 9.385 4.770 1.00 0.00 H new ATOM 0 HA ASP A 59 9.743 9.005 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.236 7.641 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.107 9.219 4.782 1.00 0.00 H new ATOM 929 N PHE A 60 7.477 7.157 4.216 1.00 0.00 N ATOM 930 CA PHE A 60 6.755 5.869 4.266 1.00 0.00 C ATOM 931 C PHE A 60 5.481 5.882 3.401 1.00 0.00 C ATOM 932 O PHE A 60 4.885 6.944 3.142 1.00 0.00 O ATOM 933 CB PHE A 60 6.402 5.514 5.745 1.00 0.00 C ATOM 934 CG PHE A 60 5.467 6.516 6.451 1.00 0.00 C ATOM 935 CD1 PHE A 60 4.078 6.421 6.324 1.00 0.00 C ATOM 936 CD2 PHE A 60 5.973 7.556 7.230 1.00 0.00 C ATOM 937 CE1 PHE A 60 3.238 7.326 6.943 1.00 0.00 C ATOM 938 CE2 PHE A 60 5.123 8.452 7.854 1.00 0.00 C ATOM 939 CZ PHE A 60 3.760 8.339 7.706 1.00 0.00 C ATOM 0 H PHE A 60 7.126 7.853 4.874 1.00 0.00 H new ATOM 0 HA PHE A 60 7.415 5.106 3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.936 4.529 5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.328 5.440 6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.654 5.625 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.041 7.663 7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.168 7.236 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.532 9.246 8.461 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.103 9.046 8.190 1.00 0.00 H new ATOM 949 N ILE A 61 5.065 4.673 2.976 1.00 0.00 N ATOM 950 CA ILE A 61 3.761 4.420 2.345 1.00 0.00 C ATOM 951 C ILE A 61 2.899 3.631 3.351 1.00 0.00 C ATOM 952 O ILE A 61 3.008 2.403 3.443 1.00 0.00 O ATOM 953 CB ILE A 61 3.901 3.599 0.996 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.870 4.302 -0.003 1.00 0.00 C ATOM 955 CG2 ILE A 61 2.521 3.353 0.335 1.00 0.00 C ATOM 956 CD1 ILE A 61 5.022 3.610 -1.355 1.00 0.00 C ATOM 0 H ILE A 61 5.637 3.833 3.064 1.00 0.00 H new ATOM 0 HA ILE A 61 3.299 5.373 2.089 1.00 0.00 H new ATOM 0 HB ILE A 61 4.328 2.630 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.518 5.320 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.853 4.378 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.655 2.788 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.886 2.788 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.050 4.310 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.716 4.176 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.408 2.601 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.051 3.558 -1.848 1.00 0.00 H new ATOM 968 N SER A 62 2.083 4.345 4.132 1.00 0.00 N ATOM 969 CA SER A 62 1.198 3.731 5.129 1.00 0.00 C ATOM 970 C SER A 62 -0.084 3.251 4.428 1.00 0.00 C ATOM 971 O SER A 62 -1.042 4.006 4.261 1.00 0.00 O ATOM 972 CB SER A 62 0.887 4.736 6.270 1.00 0.00 C ATOM 973 OG SER A 62 0.224 4.131 7.363 1.00 0.00 O ATOM 0 H SER A 62 2.017 5.362 4.092 1.00 0.00 H new ATOM 0 HA SER A 62 1.689 2.872 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.818 5.184 6.618 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.270 5.545 5.878 1.00 0.00 H new ATOM 0 HG SER A 62 -0.247 3.328 7.056 1.00 0.00 H new ATOM 979 N VAL A 63 -0.044 2.003 3.940 1.00 0.00 N ATOM 980 CA VAL A 63 -1.205 1.350 3.321 1.00 0.00 C ATOM 981 C VAL A 63 -2.109 0.831 4.446 1.00 0.00 C ATOM 982 O VAL A 63 -1.641 0.076 5.297 1.00 0.00 O ATOM 983 CB VAL A 63 -0.777 0.153 2.383 1.00 0.00 C ATOM 984 CG1 VAL A 63 -2.008 -0.501 1.698 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.258 0.617 1.328 1.00 0.00 C ATOM 0 H VAL A 63 0.792 1.419 3.963 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.729 2.074 2.697 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.307 -0.603 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.677 -1.321 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.687 -0.885 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.526 0.243 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.536 -0.226 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.178 1.404 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.145 1.000 1.832 1.00 0.00 H new ATOM 995 N ASP A 64 -3.372 1.268 4.477 1.00 0.00 N ATOM 996 CA ASP A 64 -4.361 0.788 5.458 1.00 0.00 C ATOM 997 C ASP A 64 -5.458 -0.006 4.749 1.00 0.00 C ATOM 998 O ASP A 64 -5.728 0.199 3.555 1.00 0.00 O ATOM 999 CB ASP A 64 -4.968 1.961 6.268 1.00 0.00 C ATOM 1000 CG ASP A 64 -5.765 2.952 5.407 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -6.980 2.750 5.221 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -5.184 3.942 4.914 1.00 0.00 O ATOM 0 H ASP A 64 -3.740 1.962 3.827 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.851 0.132 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.621 1.558 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.165 2.496 6.775 1.00 0.00 H new ATOM 1007 N LYS A 65 -6.118 -0.883 5.508 1.00 0.00 N ATOM 1008 CA LYS A 65 -7.165 -1.762 4.988 1.00 0.00 C ATOM 1009 C LYS A 65 -8.396 -1.714 5.902 1.00 0.00 C ATOM 1010 O LYS A 65 -8.563 -0.746 6.656 1.00 0.00 O ATOM 1011 CB LYS A 65 -6.588 -3.192 4.802 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.122 -3.891 6.080 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.479 -5.259 5.786 1.00 0.00 C ATOM 1014 CE LYS A 65 -5.239 -6.074 7.057 1.00 0.00 C ATOM 1015 NZ LYS A 65 -4.773 -5.246 8.186 1.00 0.00 N ATOM 0 H LYS A 65 -5.940 -1.003 6.505 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.501 -1.422 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.349 -3.812 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.746 -3.137 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.404 -3.257 6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.971 -4.026 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.123 -5.823 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.531 -5.109 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.163 -6.579 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.501 -6.850 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.270 -5.531 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.749 -5.378 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.971 -4.245 7.987 1.00 0.00 H new ATOM 1029 N GLU A 66 -9.286 -2.722 5.781 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.476 -2.865 6.639 1.00 0.00 C ATOM 1031 C GLU A 66 -10.086 -2.977 8.130 1.00 0.00 C ATOM 1032 O GLU A 66 -8.922 -3.259 8.444 1.00 0.00 O ATOM 1033 CB GLU A 66 -11.305 -4.090 6.187 1.00 0.00 C ATOM 1034 CG GLU A 66 -11.903 -3.965 4.772 1.00 0.00 C ATOM 1035 CD GLU A 66 -12.691 -5.207 4.324 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -13.729 -5.514 4.946 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -12.300 -5.865 3.335 1.00 0.00 O ATOM 0 H GLU A 66 -9.197 -3.460 5.083 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.087 -1.969 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.671 -4.976 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.116 -4.248 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.561 -3.097 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.097 -3.780 4.061 1.00 0.00 H new ATOM 1044 N ASN A 67 -11.102 -2.807 9.009 1.00 0.00 N ATOM 1045 CA ASN A 67 -10.950 -2.537 10.469 1.00 0.00 C ATOM 1046 C ASN A 67 -9.809 -3.319 11.154 1.00 0.00 C ATOM 1047 O ASN A 67 -9.017 -2.729 11.893 1.00 0.00 O ATOM 1048 CB ASN A 67 -12.303 -2.741 11.223 1.00 0.00 C ATOM 1049 CG ASN A 67 -12.960 -4.115 11.017 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -12.843 -4.727 9.954 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -13.671 -4.606 12.029 1.00 0.00 N ATOM 0 H ASN A 67 -12.079 -2.854 8.720 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.657 -1.489 10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.133 -2.592 12.289 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.002 -1.969 10.900 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.135 -5.509 11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.752 -4.079 12.899 1.00 0.00 H new ATOM 1058 N ASP A 68 -9.690 -4.623 10.864 1.00 0.00 N ATOM 1059 CA ASP A 68 -8.557 -5.431 11.354 1.00 0.00 C ATOM 1060 C ASP A 68 -7.987 -6.269 10.201 1.00 0.00 C ATOM 1061 O ASP A 68 -6.812 -6.120 9.855 1.00 0.00 O ATOM 1062 CB ASP A 68 -9.029 -6.332 12.527 1.00 0.00 C ATOM 1063 CG ASP A 68 -7.870 -7.050 13.232 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -7.496 -8.167 12.813 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -7.319 -6.494 14.204 1.00 0.00 O ATOM 0 H ASP A 68 -10.360 -5.141 10.295 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.766 -4.778 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.567 -5.723 13.253 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.733 -7.073 12.149 1.00 0.00 H new ATOM 1070 N ALA A 69 -8.858 -7.122 9.614 1.00 0.00 N ATOM 1071 CA ALA A 69 -8.603 -7.913 8.381 1.00 0.00 C ATOM 1072 C ALA A 69 -7.255 -8.707 8.408 1.00 0.00 C ATOM 1073 O ALA A 69 -6.673 -8.920 9.483 1.00 0.00 O ATOM 1074 CB ALA A 69 -8.745 -6.986 7.153 1.00 0.00 C ATOM 0 H ALA A 69 -9.789 -7.286 9.996 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.356 -8.699 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.560 -7.557 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.753 -6.573 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.022 -6.173 7.225 1.00 0.00 H new ATOM 1080 N ASN A 70 -6.768 -9.165 7.222 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.512 -9.965 7.109 1.00 0.00 C ATOM 1082 C ASN A 70 -4.584 -9.410 6.008 1.00 0.00 C ATOM 1083 O ASN A 70 -4.970 -9.340 4.832 1.00 0.00 O ATOM 1084 CB ASN A 70 -5.827 -11.463 6.811 1.00 0.00 C ATOM 1085 CG ASN A 70 -6.600 -12.146 7.943 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -7.823 -12.221 7.916 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -5.895 -12.626 8.957 1.00 0.00 N ATOM 0 H ASN A 70 -7.227 -8.994 6.327 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.001 -9.889 8.069 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.406 -11.531 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.893 -11.999 6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.369 -13.072 9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.878 -12.550 8.952 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.350 -9.020 6.405 1.00 0.00 N ATOM 1095 CA TRP A 71 -2.275 -8.639 5.461 1.00 0.00 C ATOM 1096 C TRP A 71 -1.692 -9.883 4.758 1.00 0.00 C ATOM 1097 O TRP A 71 -0.963 -9.751 3.797 1.00 0.00 O ATOM 1098 CB TRP A 71 -1.134 -7.849 6.171 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.496 -6.431 6.564 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -1.634 -5.921 7.828 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -1.758 -5.332 5.669 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -1.970 -4.588 7.764 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -2.047 -4.208 6.457 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -1.765 -5.188 4.278 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -2.340 -2.968 5.908 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -2.072 -3.955 3.735 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -2.354 -2.863 4.551 1.00 0.00 C ATOM 0 H TRP A 71 -3.073 -8.961 7.385 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.725 -7.986 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.835 -8.395 7.066 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.267 -7.819 5.512 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.499 -6.483 8.741 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.135 -3.981 8.567 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.534 -6.027 3.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.550 -2.115 6.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.093 -3.837 2.662 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.589 -1.912 4.097 1.00 0.00 H new ATOM 1118 N GLU A 72 -2.046 -11.086 5.231 1.00 0.00 N ATOM 1119 CA GLU A 72 -1.599 -12.372 4.635 1.00 0.00 C ATOM 1120 C GLU A 72 -2.104 -12.501 3.181 1.00 0.00 C ATOM 1121 O GLU A 72 -1.493 -13.170 2.343 1.00 0.00 O ATOM 1122 CB GLU A 72 -2.114 -13.572 5.491 1.00 0.00 C ATOM 1123 CG GLU A 72 -1.502 -13.689 6.913 1.00 0.00 C ATOM 1124 CD GLU A 72 -1.783 -12.482 7.826 1.00 0.00 C ATOM 1125 OE1 GLU A 72 -2.926 -12.327 8.285 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -0.870 -11.670 8.077 1.00 0.00 O ATOM 0 H GLU A 72 -2.653 -11.205 6.042 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.509 -12.387 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.197 -13.490 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.911 -14.496 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.891 -14.589 7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.423 -13.817 6.822 1.00 0.00 H new ATOM 1133 N THR A 73 -3.226 -11.824 2.918 1.00 0.00 N ATOM 1134 CA THR A 73 -3.902 -11.813 1.624 1.00 0.00 C ATOM 1135 C THR A 73 -3.399 -10.633 0.760 1.00 0.00 C ATOM 1136 O THR A 73 -3.126 -10.788 -0.433 1.00 0.00 O ATOM 1137 CB THR A 73 -5.446 -11.719 1.865 1.00 0.00 C ATOM 1138 OG1 THR A 73 -5.798 -12.572 2.970 1.00 0.00 O ATOM 1139 CG2 THR A 73 -6.258 -12.150 0.633 1.00 0.00 C ATOM 0 H THR A 73 -3.699 -11.255 3.620 1.00 0.00 H new ATOM 0 HA THR A 73 -3.679 -12.732 1.081 1.00 0.00 H new ATOM 0 HB THR A 73 -5.685 -10.676 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.763 -12.519 3.130 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.323 -12.067 0.852 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.009 -11.506 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.019 -13.184 0.383 1.00 0.00 H new ATOM 1147 N VAL A 74 -3.273 -9.454 1.392 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.968 -8.183 0.701 1.00 0.00 C ATOM 1149 C VAL A 74 -1.459 -8.021 0.379 1.00 0.00 C ATOM 1150 O VAL A 74 -1.093 -7.728 -0.765 1.00 0.00 O ATOM 1151 CB VAL A 74 -3.451 -6.955 1.558 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -3.173 -5.623 0.827 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.951 -7.077 1.938 1.00 0.00 C ATOM 0 H VAL A 74 -3.380 -9.352 2.401 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.508 -8.213 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.877 -6.959 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.517 -4.792 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.103 -5.523 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.703 -5.613 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.248 -6.211 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.554 -7.121 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.106 -7.985 2.521 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.609 -8.233 1.407 1.00 0.00 N ATOM 1164 CA LEU A 75 0.860 -7.963 1.374 1.00 0.00 C ATOM 1165 C LEU A 75 1.570 -8.588 0.131 1.00 0.00 C ATOM 1166 O LEU A 75 2.355 -7.875 -0.486 1.00 0.00 O ATOM 1167 CB LEU A 75 1.528 -8.425 2.723 1.00 0.00 C ATOM 1168 CG LEU A 75 2.965 -7.881 3.094 1.00 0.00 C ATOM 1169 CD1 LEU A 75 3.268 -8.106 4.598 1.00 0.00 C ATOM 1170 CD2 LEU A 75 4.101 -8.509 2.233 1.00 0.00 C ATOM 0 H LEU A 75 -0.923 -8.604 2.304 1.00 0.00 H new ATOM 0 HA LEU A 75 0.989 -6.885 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.853 -8.152 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.583 -9.514 2.707 1.00 0.00 H new ATOM 0 HG LEU A 75 2.946 -6.813 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.262 -7.724 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.527 -7.581 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.228 -9.172 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.061 -8.093 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.112 -9.589 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.926 -8.285 1.181 1.00 0.00 H new ATOM 1182 N PRO A 76 1.339 -9.912 -0.262 1.00 0.00 N ATOM 1183 CA PRO A 76 1.967 -10.503 -1.487 1.00 0.00 C ATOM 1184 C PRO A 76 1.718 -9.655 -2.766 1.00 0.00 C ATOM 1185 O PRO A 76 2.620 -9.486 -3.592 1.00 0.00 O ATOM 1186 CB PRO A 76 1.318 -11.923 -1.600 1.00 0.00 C ATOM 1187 CG PRO A 76 0.133 -11.887 -0.680 1.00 0.00 C ATOM 1188 CD PRO A 76 0.526 -10.948 0.440 1.00 0.00 C ATOM 0 HA PRO A 76 3.053 -10.539 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.015 -12.137 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.021 -12.702 -1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.757 -11.530 -1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.098 -12.881 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.347 -10.514 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.102 -11.459 1.212 1.00 0.00 H new ATOM 1196 N LYS A 77 0.501 -9.092 -2.889 1.00 0.00 N ATOM 1197 CA LYS A 77 0.112 -8.252 -4.046 1.00 0.00 C ATOM 1198 C LYS A 77 0.829 -6.888 -4.015 1.00 0.00 C ATOM 1199 O LYS A 77 1.280 -6.390 -5.053 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.426 -8.060 -4.086 1.00 0.00 C ATOM 1201 CG LYS A 77 -2.216 -9.361 -4.346 1.00 0.00 C ATOM 1202 CD LYS A 77 -3.736 -9.109 -4.507 1.00 0.00 C ATOM 1203 CE LYS A 77 -4.499 -10.341 -5.021 1.00 0.00 C ATOM 1204 NZ LYS A 77 -5.951 -10.068 -5.167 1.00 0.00 N ATOM 0 H LYS A 77 -0.239 -9.203 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 77 0.422 -8.770 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.753 -7.632 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.671 -7.337 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.833 -9.841 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.051 -10.054 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.152 -8.806 -3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.890 -8.279 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.088 -10.648 -5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.353 -11.173 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.431 -10.922 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.348 -9.799 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.092 -9.291 -5.844 1.00 0.00 H new ATOM 1218 N VAL A 78 0.938 -6.304 -2.813 1.00 0.00 N ATOM 1219 CA VAL A 78 1.627 -5.010 -2.604 1.00 0.00 C ATOM 1220 C VAL A 78 3.136 -5.159 -2.912 1.00 0.00 C ATOM 1221 O VAL A 78 3.746 -4.297 -3.546 1.00 0.00 O ATOM 1222 CB VAL A 78 1.426 -4.487 -1.135 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.048 -3.086 -0.946 1.00 0.00 C ATOM 1224 CG2 VAL A 78 -0.070 -4.481 -0.746 1.00 0.00 C ATOM 0 H VAL A 78 0.555 -6.708 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 78 1.189 -4.280 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 78 1.946 -5.175 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.891 -2.754 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.117 -3.132 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.575 -2.382 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.179 -4.115 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.620 -3.830 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.467 -5.494 -0.812 1.00 0.00 H new ATOM 1234 N GLU A 79 3.689 -6.298 -2.485 1.00 0.00 N ATOM 1235 CA GLU A 79 5.091 -6.687 -2.709 1.00 0.00 C ATOM 1236 C GLU A 79 5.405 -6.727 -4.219 1.00 0.00 C ATOM 1237 O GLU A 79 6.404 -6.162 -4.661 1.00 0.00 O ATOM 1238 CB GLU A 79 5.328 -8.074 -2.056 1.00 0.00 C ATOM 1239 CG GLU A 79 6.727 -8.691 -2.265 1.00 0.00 C ATOM 1240 CD GLU A 79 6.835 -10.117 -1.691 1.00 0.00 C ATOM 1241 OE1 GLU A 79 6.209 -11.042 -2.261 1.00 0.00 O ATOM 1242 OE2 GLU A 79 7.531 -10.325 -0.673 1.00 0.00 O ATOM 0 H GLU A 79 3.163 -6.996 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 79 5.758 -5.954 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.149 -7.984 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.584 -8.769 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.955 -8.714 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.475 -8.055 -1.792 1.00 0.00 H new ATOM 1249 N ALA A 80 4.481 -7.347 -4.988 1.00 0.00 N ATOM 1250 CA ALA A 80 4.572 -7.495 -6.462 1.00 0.00 C ATOM 1251 C ALA A 80 4.781 -6.146 -7.185 1.00 0.00 C ATOM 1252 O ALA A 80 5.412 -6.088 -8.241 1.00 0.00 O ATOM 1253 CB ALA A 80 3.304 -8.189 -6.992 1.00 0.00 C ATOM 0 H ALA A 80 3.637 -7.766 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 80 5.449 -8.106 -6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.373 -8.296 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.210 -9.174 -6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.429 -7.589 -6.742 1.00 0.00 H new ATOM 1259 N VAL A 81 4.220 -5.083 -6.597 1.00 0.00 N ATOM 1260 CA VAL A 81 4.273 -3.716 -7.141 1.00 0.00 C ATOM 1261 C VAL A 81 5.720 -3.170 -7.147 1.00 0.00 C ATOM 1262 O VAL A 81 6.204 -2.688 -8.176 1.00 0.00 O ATOM 1263 CB VAL A 81 3.300 -2.807 -6.304 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.431 -1.300 -6.626 1.00 0.00 C ATOM 1265 CG2 VAL A 81 1.842 -3.304 -6.491 1.00 0.00 C ATOM 0 H VAL A 81 3.708 -5.146 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 81 3.947 -3.719 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 81 3.587 -2.900 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.730 -0.734 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.448 -0.970 -6.414 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.207 -1.132 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.166 -2.675 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.572 -3.251 -7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.762 -4.335 -6.147 1.00 0.00 H new ATOM 1275 N PHE A 82 6.394 -3.249 -5.990 1.00 0.00 N ATOM 1276 CA PHE A 82 7.815 -2.838 -5.852 1.00 0.00 C ATOM 1277 C PHE A 82 8.784 -3.831 -6.525 1.00 0.00 C ATOM 1278 O PHE A 82 9.887 -3.446 -6.914 1.00 0.00 O ATOM 1279 CB PHE A 82 8.171 -2.665 -4.357 1.00 0.00 C ATOM 1280 CG PHE A 82 7.203 -1.732 -3.647 1.00 0.00 C ATOM 1281 CD1 PHE A 82 7.373 -0.350 -3.686 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.087 -2.245 -2.988 1.00 0.00 C ATOM 1283 CE1 PHE A 82 6.455 0.484 -3.090 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.182 -1.414 -2.389 1.00 0.00 C ATOM 1285 CZ PHE A 82 5.361 -0.054 -2.440 1.00 0.00 C ATOM 0 H PHE A 82 5.981 -3.596 -5.124 1.00 0.00 H new ATOM 0 HA PHE A 82 7.930 -1.885 -6.368 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.162 -3.639 -3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.184 -2.273 -4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.232 0.070 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.935 -3.314 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.589 1.555 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.326 -1.827 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.642 0.600 -1.969 1.00 0.00 H new ATOM 1295 N GLU A 83 8.376 -5.104 -6.660 1.00 0.00 N ATOM 1296 CA GLU A 83 9.227 -6.146 -7.263 1.00 0.00 C ATOM 1297 C GLU A 83 9.208 -6.064 -8.799 1.00 0.00 C ATOM 1298 O GLU A 83 10.217 -5.686 -9.402 1.00 0.00 O ATOM 1299 CB GLU A 83 8.806 -7.550 -6.757 1.00 0.00 C ATOM 1300 CG GLU A 83 9.042 -7.775 -5.247 1.00 0.00 C ATOM 1301 CD GLU A 83 10.527 -7.774 -4.851 1.00 0.00 C ATOM 1302 OE1 GLU A 83 11.111 -6.683 -4.643 1.00 0.00 O ATOM 1303 OE2 GLU A 83 11.125 -8.869 -4.748 1.00 0.00 O ATOM 0 H GLU A 83 7.460 -5.438 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 83 10.256 -5.972 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.749 -7.700 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.357 -8.306 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.524 -6.996 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.597 -8.727 -4.956 1.00 0.00 H new ATOM 1310 N LEU A 84 8.048 -6.416 -9.399 1.00 0.00 N ATOM 1311 CA LEU A 84 7.817 -6.518 -10.873 1.00 0.00 C ATOM 1312 C LEU A 84 8.502 -7.766 -11.477 1.00 0.00 C ATOM 1313 O LEU A 84 7.902 -8.481 -12.277 1.00 0.00 O ATOM 1314 CB LEU A 84 8.215 -5.221 -11.647 1.00 0.00 C ATOM 1315 CG LEU A 84 7.447 -3.924 -11.234 1.00 0.00 C ATOM 1316 CD1 LEU A 84 7.871 -2.713 -12.091 1.00 0.00 C ATOM 1317 CD2 LEU A 84 5.917 -4.138 -11.287 1.00 0.00 C ATOM 0 H LEU A 84 7.214 -6.646 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 84 6.740 -6.634 -10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.282 -5.049 -11.507 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.056 -5.392 -12.712 1.00 0.00 H new ATOM 0 HG LEU A 84 7.717 -3.702 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.315 -1.830 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.939 -2.534 -11.965 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.659 -2.918 -13.140 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.411 -3.218 -10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.622 -4.408 -12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.638 -4.939 -10.603 1.00 0.00 H new ATOM 1329 N GLU A 85 9.768 -7.997 -11.090 1.00 0.00 N ATOM 1330 CA GLU A 85 10.528 -9.224 -11.397 1.00 0.00 C ATOM 1331 C GLU A 85 9.771 -10.448 -10.825 1.00 0.00 C ATOM 1332 O GLU A 85 9.142 -10.342 -9.754 1.00 0.00 O ATOM 1333 CB GLU A 85 11.966 -9.120 -10.768 1.00 0.00 C ATOM 1334 CG GLU A 85 13.121 -9.804 -11.550 1.00 0.00 C ATOM 1335 CD GLU A 85 12.889 -11.290 -11.861 1.00 0.00 C ATOM 1336 OE1 GLU A 85 13.002 -12.129 -10.939 1.00 0.00 O ATOM 1337 OE2 GLU A 85 12.570 -11.624 -13.022 1.00 0.00 O ATOM 0 H GLU A 85 10.304 -7.323 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 85 10.627 -9.342 -12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.211 -8.064 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.931 -9.550 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.274 -9.270 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.041 -9.706 -10.973 1.00 0.00 H new ATOM 1344 N HIS A 86 9.825 -11.591 -11.543 1.00 0.00 N ATOM 1345 CA HIS A 86 9.252 -12.863 -11.065 1.00 0.00 C ATOM 1346 C HIS A 86 10.086 -13.422 -9.890 1.00 0.00 C ATOM 1347 O HIS A 86 10.825 -14.390 -10.027 1.00 0.00 O ATOM 1348 CB HIS A 86 9.079 -13.901 -12.224 1.00 0.00 C ATOM 1349 CG HIS A 86 10.287 -14.143 -13.119 1.00 0.00 C ATOM 1350 ND1 HIS A 86 11.523 -14.570 -12.664 1.00 0.00 N ATOM 1351 CD2 HIS A 86 10.414 -14.063 -14.466 1.00 0.00 C ATOM 1352 CE1 HIS A 86 12.335 -14.746 -13.680 1.00 0.00 C ATOM 1353 NE2 HIS A 86 11.689 -14.447 -14.784 1.00 0.00 N ATOM 0 H HIS A 86 10.263 -11.656 -12.462 1.00 0.00 H new ATOM 0 HA HIS A 86 8.248 -12.664 -10.691 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.786 -14.854 -11.784 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.251 -13.572 -12.853 1.00 0.00 H new ATOM 0 HD1 HIS A 86 11.766 -14.725 -11.686 1.00 0.00 H new ATOM 0 HD2 HIS A 86 9.649 -13.753 -15.162 1.00 0.00 H new ATOM 0 HE1 HIS A 86 13.360 -15.080 -13.619 1.00 0.00 H new ATOM 1362 N HIS A 87 9.950 -12.778 -8.723 1.00 0.00 N ATOM 1363 CA HIS A 87 10.761 -13.069 -7.536 1.00 0.00 C ATOM 1364 C HIS A 87 10.420 -14.467 -6.983 1.00 0.00 C ATOM 1365 O HIS A 87 9.320 -14.709 -6.470 1.00 0.00 O ATOM 1366 CB HIS A 87 10.602 -11.946 -6.465 1.00 0.00 C ATOM 1367 CG HIS A 87 9.190 -11.689 -6.005 1.00 0.00 C ATOM 1368 ND1 HIS A 87 8.309 -10.895 -6.701 1.00 0.00 N ATOM 1369 CD2 HIS A 87 8.514 -12.114 -4.905 1.00 0.00 C ATOM 1370 CE1 HIS A 87 7.157 -10.859 -6.064 1.00 0.00 C ATOM 1371 NE2 HIS A 87 7.255 -11.588 -4.976 1.00 0.00 N ATOM 0 H HIS A 87 9.268 -12.034 -8.576 1.00 0.00 H new ATOM 0 HA HIS A 87 11.813 -13.083 -7.820 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.208 -12.206 -5.597 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.009 -11.020 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.900 -12.749 -4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.278 -10.320 -6.383 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.511 -11.737 -4.294 1.00 0.00 H new ATOM 1380 N HIS A 88 11.362 -15.396 -7.168 1.00 0.00 N ATOM 1381 CA HIS A 88 11.225 -16.793 -6.744 1.00 0.00 C ATOM 1382 C HIS A 88 12.051 -17.026 -5.474 1.00 0.00 C ATOM 1383 O HIS A 88 13.080 -16.367 -5.267 1.00 0.00 O ATOM 1384 CB HIS A 88 11.690 -17.744 -7.877 1.00 0.00 C ATOM 1385 CG HIS A 88 10.947 -17.571 -9.175 1.00 0.00 C ATOM 1386 ND1 HIS A 88 11.577 -17.481 -10.396 1.00 0.00 N ATOM 1387 CD2 HIS A 88 9.618 -17.494 -9.437 1.00 0.00 C ATOM 1388 CE1 HIS A 88 10.673 -17.357 -11.347 1.00 0.00 C ATOM 1389 NE2 HIS A 88 9.475 -17.362 -10.794 1.00 0.00 N ATOM 0 H HIS A 88 12.253 -15.197 -7.622 1.00 0.00 H new ATOM 0 HA HIS A 88 10.177 -17.004 -6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 88 12.753 -17.584 -8.056 1.00 0.00 H new ATOM 0 HB3 HIS A 88 11.575 -18.774 -7.541 1.00 0.00 H new ATOM 0 HD2 HIS A 88 8.820 -17.530 -8.710 1.00 0.00 H new ATOM 0 HE1 HIS A 88 10.879 -17.266 -12.403 1.00 0.00 H new ATOM 0 HE2 HIS A 88 8.589 -17.281 -11.293 1.00 0.00 H new ATOM 1398 N HIS A 89 11.590 -17.964 -4.630 1.00 0.00 N ATOM 1399 CA HIS A 89 12.283 -18.344 -3.383 1.00 0.00 C ATOM 1400 C HIS A 89 13.625 -19.054 -3.685 1.00 0.00 C ATOM 1401 O HIS A 89 14.545 -19.035 -2.863 1.00 0.00 O ATOM 1402 CB HIS A 89 11.358 -19.246 -2.524 1.00 0.00 C ATOM 1403 CG HIS A 89 11.945 -19.650 -1.193 1.00 0.00 C ATOM 1404 ND1 HIS A 89 12.405 -20.921 -0.923 1.00 0.00 N ATOM 1405 CD2 HIS A 89 12.160 -18.931 -0.062 1.00 0.00 C ATOM 1406 CE1 HIS A 89 12.873 -20.966 0.308 1.00 0.00 C ATOM 1407 NE2 HIS A 89 12.737 -19.774 0.852 1.00 0.00 N ATOM 0 H HIS A 89 10.726 -18.482 -4.791 1.00 0.00 H new ATOM 0 HA HIS A 89 12.513 -17.439 -2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.419 -18.721 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.120 -20.146 -3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 89 11.921 -17.889 0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 89 13.297 -21.834 0.790 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.016 -19.520 1.800 1.00 0.00 H new ATOM 1416 N HIS A 90 13.715 -19.678 -4.874 1.00 0.00 N ATOM 1417 CA HIS A 90 14.957 -20.307 -5.372 1.00 0.00 C ATOM 1418 C HIS A 90 15.406 -19.593 -6.660 1.00 0.00 C ATOM 1419 O HIS A 90 14.576 -19.012 -7.372 1.00 0.00 O ATOM 1420 CB HIS A 90 14.742 -21.830 -5.634 1.00 0.00 C ATOM 1421 CG HIS A 90 14.006 -22.179 -6.914 1.00 0.00 C ATOM 1422 ND1 HIS A 90 14.599 -22.859 -7.958 1.00 0.00 N ATOM 1423 CD2 HIS A 90 12.740 -21.918 -7.322 1.00 0.00 C ATOM 1424 CE1 HIS A 90 13.734 -23.006 -8.939 1.00 0.00 C ATOM 1425 NE2 HIS A 90 12.596 -22.442 -8.582 1.00 0.00 N ATOM 0 H HIS A 90 12.929 -19.762 -5.519 1.00 0.00 H new ATOM 0 HA HIS A 90 15.735 -20.208 -4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.716 -22.318 -5.652 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.190 -22.250 -4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.983 -21.393 -6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 90 13.924 -23.504 -9.878 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.749 -22.402 -9.149 1.00 0.00 H new ATOM 1434 N HIS A 91 16.711 -19.636 -6.958 1.00 0.00 N ATOM 1435 CA HIS A 91 17.247 -19.134 -8.232 1.00 0.00 C ATOM 1436 C HIS A 91 17.286 -20.309 -9.242 1.00 0.00 C ATOM 1437 O HIS A 91 18.306 -21.027 -9.314 1.00 0.00 O ATOM 1438 CB HIS A 91 18.642 -18.481 -8.018 1.00 0.00 C ATOM 1439 CG HIS A 91 19.234 -17.884 -9.272 1.00 0.00 C ATOM 1440 ND1 HIS A 91 20.289 -18.450 -9.950 1.00 0.00 N ATOM 1441 CD2 HIS A 91 18.902 -16.773 -9.971 1.00 0.00 C ATOM 1442 CE1 HIS A 91 20.583 -17.715 -11.005 1.00 0.00 C ATOM 1443 NE2 HIS A 91 19.755 -16.689 -11.044 1.00 0.00 N ATOM 1444 OXT HIS A 91 16.270 -20.537 -9.929 1.00 0.00 O ATOM 0 H HIS A 91 17.420 -20.016 -6.330 1.00 0.00 H new ATOM 0 HA HIS A 91 16.605 -18.352 -8.637 1.00 0.00 H new ATOM 0 HB2 HIS A 91 18.556 -17.701 -7.261 1.00 0.00 H new ATOM 0 HB3 HIS A 91 19.328 -19.232 -7.625 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.111 -16.079 -9.729 1.00 0.00 H new ATOM 0 HE1 HIS A 91 21.369 -17.919 -11.717 1.00 0.00 H new ATOM 0 HE2 HIS A 91 19.749 -15.956 -11.753 1.00 0.00 H new TER 1453 HIS A 91