USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=25 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 38 GLN : amide:sc= -1.12 K(o=-0.022,f=-7.2!) USER MOD Set 1.2: A 43 ASN : amide:sc= 1.1 K(o=-0.022,f=-8.8!) USER MOD Set 2.1: A 26 MET CE :methyl -119:sc=-0.00406 (180deg=-0.0503) USER MOD Set 2.2: A 27 THR OG1 : rot 122:sc= 1.09 USER MOD Set 2.3: A 31 TYR OH : rot 132:sc= 1.42 USER MOD Set 2.4: A 56 HIS : no HD1:sc= 0.44 K(o=3,f=0.12) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= -0.198 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 MET N :NH3+ 148:sc= 0.325 (180deg=-0.0443) USER MOD Set 4.2: A 20 SER OG : rot 81:sc= 1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0.529 (180deg=0.529) USER MOD Single : A 7 SER OG : rot 150:sc= 0 USER MOD Single : A 9 THR OG1 : rot -122:sc= 0.819 USER MOD Single : A 11 ASN : amide:sc= 0.223 K(o=0.22,f=-4.7!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= 0.233 X(o=0.23,f=-0.00098) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -130:sc= -0.779 (180deg=-2.48!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 48:sc= 0.0727 USER MOD Single : A 30 THR OG1 : rot -47:sc= 0.0903! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -15:sc= 1.14 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00889) USER MOD Single : A 53 SER OG : rot 64:sc= 0.213 USER MOD Single : A 58 MET CE :methyl -141:sc= -0.261 (180deg=-0.868) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= 0.814 (180deg=0.593) USER MOD Single : A 67 ASN : amide:sc= -0.0929 K(o=-0.093,f=-3.9!) USER MOD Single : A 70 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 169:sc= -0.0191 (180deg=-0.181) USER MOD Single : A 86 HIS : no HE2:sc= -0.109 K(o=-0.11,f=-1.1) USER MOD Single : A 87 HIS : no HD1:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 88 HIS : no HE2:sc= -0.0703 K(o=-0.07,f=-0.69) 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=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.237 2.175 -5.497 1.00 0.00 N ATOM 2 CA MET A 1 12.768 2.378 -5.478 1.00 0.00 C ATOM 3 C MET A 1 12.042 1.057 -5.140 1.00 0.00 C ATOM 4 O MET A 1 11.619 0.319 -6.043 1.00 0.00 O ATOM 5 CB MET A 1 12.276 2.986 -6.824 1.00 0.00 C ATOM 6 CG MET A 1 12.825 4.388 -7.122 1.00 0.00 C ATOM 7 SD MET A 1 12.169 5.084 -8.658 1.00 0.00 S ATOM 8 CE MET A 1 12.925 6.713 -8.678 1.00 0.00 C ATOM 0 H1 MET A 1 14.667 2.813 -6.197 1.00 0.00 H new ATOM 0 H2 MET A 1 14.628 2.381 -4.556 1.00 0.00 H new ATOM 0 H3 MET A 1 14.448 1.189 -5.751 1.00 0.00 H new ATOM 0 HA MET A 1 12.524 3.094 -4.693 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.560 2.317 -7.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.187 3.030 -6.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.581 5.053 -6.293 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.912 4.342 -7.184 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.607 7.251 -9.571 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.618 7.268 -7.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.010 6.610 -8.684 1.00 0.00 H new ATOM 20 N LYS A 2 11.943 0.755 -3.824 1.00 0.00 N ATOM 21 CA LYS A 2 11.234 -0.439 -3.303 1.00 0.00 C ATOM 22 C LYS A 2 11.025 -0.340 -1.778 1.00 0.00 C ATOM 23 O LYS A 2 11.446 0.636 -1.141 1.00 0.00 O ATOM 24 CB LYS A 2 12.004 -1.760 -3.614 1.00 0.00 C ATOM 25 CG LYS A 2 13.389 -1.889 -2.920 1.00 0.00 C ATOM 26 CD LYS A 2 13.900 -3.351 -2.860 1.00 0.00 C ATOM 27 CE LYS A 2 14.004 -4.011 -4.236 1.00 0.00 C ATOM 28 NZ LYS A 2 14.454 -5.428 -4.122 1.00 0.00 N ATOM 0 H LYS A 2 12.354 1.334 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 2 10.269 -0.465 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.383 -2.604 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.146 -1.836 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.116 -1.277 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.321 -1.492 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.879 -3.367 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.229 -3.938 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.035 -3.973 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.704 -3.453 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.515 -5.850 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.389 -5.460 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.772 -5.964 -3.548 1.00 0.00 H new ATOM 42 N ILE A 3 10.372 -1.383 -1.219 1.00 0.00 N ATOM 43 CA ILE A 3 10.267 -1.600 0.231 1.00 0.00 C ATOM 44 C ILE A 3 11.635 -2.056 0.773 1.00 0.00 C ATOM 45 O ILE A 3 12.138 -3.118 0.381 1.00 0.00 O ATOM 46 CB ILE A 3 9.186 -2.702 0.578 1.00 0.00 C ATOM 47 CG1 ILE A 3 7.773 -2.275 0.063 1.00 0.00 C ATOM 48 CG2 ILE A 3 9.164 -3.020 2.098 1.00 0.00 C ATOM 49 CD1 ILE A 3 6.644 -3.257 0.358 1.00 0.00 C ATOM 0 H ILE A 3 9.901 -2.100 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 3 9.960 -0.661 0.692 1.00 0.00 H new ATOM 0 HB ILE A 3 9.468 -3.620 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.519 -1.312 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.828 -2.125 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.410 -3.781 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 3 10.142 -3.388 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.924 -2.115 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.708 -2.866 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.865 -4.217 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.551 -3.391 1.436 1.00 0.00 H new ATOM 61 N ILE A 4 12.242 -1.236 1.638 1.00 0.00 N ATOM 62 CA ILE A 4 13.469 -1.609 2.360 1.00 0.00 C ATOM 63 C ILE A 4 13.108 -2.399 3.624 1.00 0.00 C ATOM 64 O ILE A 4 13.694 -3.459 3.892 1.00 0.00 O ATOM 65 CB ILE A 4 14.329 -0.336 2.707 1.00 0.00 C ATOM 66 CG1 ILE A 4 14.860 0.316 1.397 1.00 0.00 C ATOM 67 CG2 ILE A 4 15.493 -0.652 3.681 1.00 0.00 C ATOM 68 CD1 ILE A 4 15.757 -0.572 0.539 1.00 0.00 C ATOM 0 H ILE A 4 11.901 -0.300 1.858 1.00 0.00 H new ATOM 0 HA ILE A 4 14.077 -2.244 1.716 1.00 0.00 H new ATOM 0 HB ILE A 4 13.679 0.370 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 4 14.007 0.630 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 4 15.414 1.217 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 4 16.053 0.260 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 4 15.090 -1.048 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 4 16.155 -1.390 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.071 -0.022 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.635 -0.866 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.206 -1.463 0.238 1.00 0.00 H new ATOM 80 N SER A 5 12.111 -1.903 4.375 1.00 0.00 N ATOM 81 CA SER A 5 11.686 -2.531 5.633 1.00 0.00 C ATOM 82 C SER A 5 10.220 -2.194 5.953 1.00 0.00 C ATOM 83 O SER A 5 9.806 -1.037 5.841 1.00 0.00 O ATOM 84 CB SER A 5 12.622 -2.085 6.786 1.00 0.00 C ATOM 85 OG SER A 5 12.687 -0.672 6.898 1.00 0.00 O ATOM 0 H SER A 5 11.583 -1.065 4.130 1.00 0.00 H new ATOM 0 HA SER A 5 11.756 -3.613 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.267 -2.508 7.726 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.623 -2.482 6.616 1.00 0.00 H new ATOM 0 HG SER A 5 13.285 -0.429 7.636 1.00 0.00 H new ATOM 91 N ILE A 6 9.439 -3.224 6.330 1.00 0.00 N ATOM 92 CA ILE A 6 8.093 -3.045 6.890 1.00 0.00 C ATOM 93 C ILE A 6 8.256 -2.633 8.369 1.00 0.00 C ATOM 94 O ILE A 6 8.656 -3.453 9.205 1.00 0.00 O ATOM 95 CB ILE A 6 7.238 -4.368 6.772 1.00 0.00 C ATOM 96 CG1 ILE A 6 7.174 -4.883 5.291 1.00 0.00 C ATOM 97 CG2 ILE A 6 5.813 -4.173 7.353 1.00 0.00 C ATOM 98 CD1 ILE A 6 6.382 -4.014 4.331 1.00 0.00 C ATOM 0 H ILE A 6 9.726 -4.200 6.254 1.00 0.00 H new ATOM 0 HA ILE A 6 7.559 -2.276 6.332 1.00 0.00 H new ATOM 0 HB ILE A 6 7.741 -5.131 7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.192 -4.977 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.740 -5.883 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.250 -5.102 7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.884 -3.899 8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.302 -3.381 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.401 -4.460 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.350 -3.939 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.825 -3.019 4.291 1.00 0.00 H new ATOM 110 N SER A 7 8.018 -1.349 8.667 1.00 0.00 N ATOM 111 CA SER A 7 8.198 -0.793 10.021 1.00 0.00 C ATOM 112 C SER A 7 7.008 -1.178 10.937 1.00 0.00 C ATOM 113 O SER A 7 5.930 -1.551 10.446 1.00 0.00 O ATOM 114 CB SER A 7 8.371 0.737 9.920 1.00 0.00 C ATOM 115 OG SER A 7 8.592 1.329 11.185 1.00 0.00 O ATOM 0 H SER A 7 7.696 -0.666 7.981 1.00 0.00 H new ATOM 0 HA SER A 7 9.095 -1.215 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.209 0.965 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.481 1.173 9.466 1.00 0.00 H new ATOM 0 HG SER A 7 9.146 2.130 11.079 1.00 0.00 H new ATOM 121 N GLU A 8 7.220 -1.095 12.270 1.00 0.00 N ATOM 122 CA GLU A 8 6.225 -1.510 13.277 1.00 0.00 C ATOM 123 C GLU A 8 5.052 -0.515 13.359 1.00 0.00 C ATOM 124 O GLU A 8 5.160 0.632 12.920 1.00 0.00 O ATOM 125 CB GLU A 8 6.890 -1.650 14.675 1.00 0.00 C ATOM 126 CG GLU A 8 8.063 -2.648 14.757 1.00 0.00 C ATOM 127 CD GLU A 8 7.699 -4.079 14.322 1.00 0.00 C ATOM 128 OE1 GLU A 8 7.032 -4.798 15.095 1.00 0.00 O ATOM 129 OE2 GLU A 8 8.087 -4.496 13.204 1.00 0.00 O ATOM 0 H GLU A 8 8.086 -0.738 12.675 1.00 0.00 H new ATOM 0 HA GLU A 8 5.831 -2.477 12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.248 -0.669 14.987 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.127 -1.954 15.392 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.879 -2.286 14.132 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.434 -2.674 15.782 1.00 0.00 H new ATOM 136 N THR A 9 3.952 -0.968 13.971 1.00 0.00 N ATOM 137 CA THR A 9 2.712 -0.190 14.101 1.00 0.00 C ATOM 138 C THR A 9 1.918 -0.673 15.341 1.00 0.00 C ATOM 139 O THR A 9 1.951 -1.868 15.666 1.00 0.00 O ATOM 140 CB THR A 9 1.831 -0.309 12.803 1.00 0.00 C ATOM 141 OG1 THR A 9 0.633 0.482 12.937 1.00 0.00 O ATOM 142 CG2 THR A 9 1.459 -1.771 12.480 1.00 0.00 C ATOM 0 H THR A 9 3.896 -1.894 14.395 1.00 0.00 H new ATOM 0 HA THR A 9 2.974 0.860 14.231 1.00 0.00 H new ATOM 0 HB THR A 9 2.430 0.069 11.974 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.153 -0.093 12.828 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.851 -1.800 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.368 -2.352 12.325 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.895 -2.195 13.311 1.00 0.00 H new ATOM 150 N PRO A 10 1.220 0.249 16.084 1.00 0.00 N ATOM 151 CA PRO A 10 0.311 -0.142 17.186 1.00 0.00 C ATOM 152 C PRO A 10 -1.103 -0.522 16.682 1.00 0.00 C ATOM 153 O PRO A 10 -1.911 -1.076 17.437 1.00 0.00 O ATOM 154 CB PRO A 10 0.285 1.133 18.055 1.00 0.00 C ATOM 155 CG PRO A 10 0.413 2.258 17.068 1.00 0.00 C ATOM 156 CD PRO A 10 1.294 1.736 15.940 1.00 0.00 C ATOM 0 HA PRO A 10 0.644 -1.032 17.720 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.641 1.207 18.625 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.103 1.140 18.775 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.565 2.558 16.691 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.858 3.137 17.535 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.930 2.062 14.966 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.319 2.096 16.034 1.00 0.00 H new ATOM 164 N ASN A 11 -1.377 -0.218 15.398 1.00 0.00 N ATOM 165 CA ASN A 11 -2.671 -0.473 14.747 1.00 0.00 C ATOM 166 C ASN A 11 -2.439 -1.470 13.596 1.00 0.00 C ATOM 167 O ASN A 11 -1.738 -1.153 12.631 1.00 0.00 O ATOM 168 CB ASN A 11 -3.274 0.864 14.217 1.00 0.00 C ATOM 169 CG ASN A 11 -4.744 0.770 13.763 1.00 0.00 C ATOM 170 OD1 ASN A 11 -5.238 -0.291 13.394 1.00 0.00 O ATOM 171 ND2 ASN A 11 -5.450 1.895 13.769 1.00 0.00 N ATOM 0 H ASN A 11 -0.694 0.218 14.778 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.381 -0.896 15.458 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.197 1.618 15.001 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.670 1.213 13.379 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.423 1.888 13.463 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.019 2.766 14.080 1.00 0.00 H new ATOM 178 N HIS A 12 -3.039 -2.665 13.715 1.00 0.00 N ATOM 179 CA HIS A 12 -2.870 -3.771 12.749 1.00 0.00 C ATOM 180 C HIS A 12 -3.507 -3.439 11.377 1.00 0.00 C ATOM 181 O HIS A 12 -3.150 -4.051 10.366 1.00 0.00 O ATOM 182 CB HIS A 12 -3.476 -5.070 13.346 1.00 0.00 C ATOM 183 CG HIS A 12 -3.264 -6.324 12.526 1.00 0.00 C ATOM 184 ND1 HIS A 12 -4.298 -7.149 12.134 1.00 0.00 N ATOM 185 CD2 HIS A 12 -2.131 -6.908 12.060 1.00 0.00 C ATOM 186 CE1 HIS A 12 -3.812 -8.176 11.472 1.00 0.00 C ATOM 187 NE2 HIS A 12 -2.501 -8.054 11.411 1.00 0.00 N ATOM 0 H HIS A 12 -3.661 -2.896 14.490 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.804 -3.918 12.572 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.049 -5.228 14.336 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.547 -4.922 13.481 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.124 -6.537 12.179 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.390 -8.984 11.049 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.865 -8.708 10.954 1.00 0.00 H new ATOM 196 N ASN A 13 -4.438 -2.459 11.361 1.00 0.00 N ATOM 197 CA ASN A 13 -5.137 -2.019 10.139 1.00 0.00 C ATOM 198 C ASN A 13 -4.154 -1.346 9.165 1.00 0.00 C ATOM 199 O ASN A 13 -3.899 -1.857 8.079 1.00 0.00 O ATOM 200 CB ASN A 13 -6.301 -1.058 10.487 1.00 0.00 C ATOM 201 CG ASN A 13 -7.136 -0.655 9.268 1.00 0.00 C ATOM 202 OD1 ASN A 13 -6.845 0.335 8.595 1.00 0.00 O ATOM 203 ND2 ASN A 13 -8.177 -1.422 8.974 1.00 0.00 N ATOM 0 H ASN A 13 -4.724 -1.952 12.198 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.556 -2.899 9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.950 -1.535 11.222 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.895 -0.161 10.954 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.764 -1.199 8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.391 -2.235 9.552 1.00 0.00 H new ATOM 210 N THR A 14 -3.592 -0.206 9.575 1.00 0.00 N ATOM 211 CA THR A 14 -2.635 0.547 8.748 1.00 0.00 C ATOM 212 C THR A 14 -1.222 0.391 9.306 1.00 0.00 C ATOM 213 O THR A 14 -0.987 0.619 10.500 1.00 0.00 O ATOM 214 CB THR A 14 -3.026 2.058 8.618 1.00 0.00 C ATOM 215 OG1 THR A 14 -2.025 2.778 7.867 1.00 0.00 O ATOM 216 CG2 THR A 14 -3.249 2.739 9.980 1.00 0.00 C ATOM 0 H THR A 14 -3.783 0.221 10.481 1.00 0.00 H new ATOM 0 HA THR A 14 -2.665 0.129 7.742 1.00 0.00 H new ATOM 0 HB THR A 14 -3.976 2.086 8.085 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.286 3.720 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.517 3.784 9.825 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.054 2.233 10.512 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.334 2.683 10.569 1.00 0.00 H new ATOM 224 N MET A 15 -0.285 -0.025 8.441 1.00 0.00 N ATOM 225 CA MET A 15 1.121 -0.205 8.819 1.00 0.00 C ATOM 226 C MET A 15 2.027 0.657 7.936 1.00 0.00 C ATOM 227 O MET A 15 1.781 0.826 6.729 1.00 0.00 O ATOM 228 CB MET A 15 1.532 -1.696 8.742 1.00 0.00 C ATOM 229 CG MET A 15 1.527 -2.317 7.345 1.00 0.00 C ATOM 230 SD MET A 15 2.150 -4.006 7.360 1.00 0.00 S ATOM 231 CE MET A 15 2.144 -4.386 5.619 1.00 0.00 C ATOM 0 H MET A 15 -0.481 -0.245 7.464 1.00 0.00 H new ATOM 0 HA MET A 15 1.239 0.119 9.853 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.533 -1.799 9.161 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.859 -2.272 9.377 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.512 -2.308 6.947 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.137 -1.711 6.676 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.640 -5.338 5.456 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.619 -3.600 5.077 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.170 -4.453 5.258 1.00 0.00 H new ATOM 241 N LYS A 16 3.084 1.189 8.558 1.00 0.00 N ATOM 242 CA LYS A 16 4.055 2.072 7.901 1.00 0.00 C ATOM 243 C LYS A 16 5.188 1.255 7.254 1.00 0.00 C ATOM 244 O LYS A 16 5.656 0.253 7.810 1.00 0.00 O ATOM 245 CB LYS A 16 4.596 3.121 8.909 1.00 0.00 C ATOM 246 CG LYS A 16 5.116 2.522 10.232 1.00 0.00 C ATOM 247 CD LYS A 16 5.679 3.582 11.201 1.00 0.00 C ATOM 248 CE LYS A 16 6.895 4.320 10.635 1.00 0.00 C ATOM 249 NZ LYS A 16 7.483 5.265 11.620 1.00 0.00 N ATOM 0 H LYS A 16 3.292 1.017 9.542 1.00 0.00 H new ATOM 0 HA LYS A 16 3.554 2.613 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.403 3.680 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.803 3.834 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.305 1.985 10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.894 1.792 10.011 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.898 4.305 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.957 3.099 12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.651 3.595 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.602 4.867 9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.303 5.743 11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.771 5.973 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.787 4.741 12.465 1.00 0.00 H new ATOM 263 N ILE A 17 5.609 1.696 6.060 1.00 0.00 N ATOM 264 CA ILE A 17 6.561 0.980 5.195 1.00 0.00 C ATOM 265 C ILE A 17 7.675 1.944 4.758 1.00 0.00 C ATOM 266 O ILE A 17 7.416 2.919 4.048 1.00 0.00 O ATOM 267 CB ILE A 17 5.830 0.391 3.923 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.723 -0.630 4.344 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.841 -0.248 2.945 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.877 -1.183 3.203 1.00 0.00 C ATOM 0 H ILE A 17 5.291 2.579 5.659 1.00 0.00 H new ATOM 0 HA ILE A 17 6.991 0.150 5.756 1.00 0.00 H new ATOM 0 HB ILE A 17 5.345 1.215 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.199 -1.465 4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.062 -0.147 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.310 -0.645 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.556 0.506 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.371 -1.057 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.140 -1.881 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.365 -0.363 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.520 -1.701 2.491 1.00 0.00 H new ATOM 282 N THR A 18 8.903 1.658 5.203 1.00 0.00 N ATOM 283 CA THR A 18 10.103 2.411 4.819 1.00 0.00 C ATOM 284 C THR A 18 10.476 2.113 3.351 1.00 0.00 C ATOM 285 O THR A 18 10.718 0.950 2.988 1.00 0.00 O ATOM 286 CB THR A 18 11.301 2.034 5.744 1.00 0.00 C ATOM 287 OG1 THR A 18 10.942 2.243 7.117 1.00 0.00 O ATOM 288 CG2 THR A 18 12.581 2.828 5.419 1.00 0.00 C ATOM 0 H THR A 18 9.094 0.890 5.846 1.00 0.00 H new ATOM 0 HA THR A 18 9.887 3.474 4.927 1.00 0.00 H new ATOM 0 HB THR A 18 11.520 0.981 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.698 2.003 7.693 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.380 2.523 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.881 2.630 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.389 3.894 5.542 1.00 0.00 H new ATOM 296 N LEU A 19 10.491 3.164 2.518 1.00 0.00 N ATOM 297 CA LEU A 19 10.979 3.087 1.130 1.00 0.00 C ATOM 298 C LEU A 19 12.498 3.331 1.073 1.00 0.00 C ATOM 299 O LEU A 19 13.117 3.738 2.066 1.00 0.00 O ATOM 300 CB LEU A 19 10.244 4.119 0.233 1.00 0.00 C ATOM 301 CG LEU A 19 8.724 3.876 -0.011 1.00 0.00 C ATOM 302 CD1 LEU A 19 8.130 4.977 -0.918 1.00 0.00 C ATOM 303 CD2 LEU A 19 8.456 2.463 -0.587 1.00 0.00 C ATOM 0 H LEU A 19 10.165 4.093 2.786 1.00 0.00 H new ATOM 0 HA LEU A 19 10.771 2.085 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.363 5.105 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.744 4.146 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 19 8.221 3.928 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.068 4.786 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.258 5.949 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.644 4.974 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.385 2.331 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.978 2.352 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.816 1.710 0.114 1.00 0.00 H new ATOM 315 N SER A 20 13.081 3.076 -0.109 1.00 0.00 N ATOM 316 CA SER A 20 14.501 3.342 -0.387 1.00 0.00 C ATOM 317 C SER A 20 14.737 4.845 -0.570 1.00 0.00 C ATOM 318 O SER A 20 15.836 5.360 -0.318 1.00 0.00 O ATOM 319 CB SER A 20 14.927 2.549 -1.638 1.00 0.00 C ATOM 320 OG SER A 20 14.079 2.832 -2.730 1.00 0.00 O ATOM 0 H SER A 20 12.578 2.678 -0.902 1.00 0.00 H new ATOM 0 HA SER A 20 15.109 3.017 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.956 2.798 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.903 1.481 -1.422 1.00 0.00 H new ATOM 0 HG SER A 20 14.357 3.672 -3.151 1.00 0.00 H new ATOM 326 N GLU A 21 13.669 5.537 -1.004 1.00 0.00 N ATOM 327 CA GLU A 21 13.673 6.984 -1.208 1.00 0.00 C ATOM 328 C GLU A 21 13.385 7.686 0.130 1.00 0.00 C ATOM 329 O GLU A 21 12.402 7.357 0.802 1.00 0.00 O ATOM 330 CB GLU A 21 12.617 7.368 -2.279 1.00 0.00 C ATOM 331 CG GLU A 21 12.676 6.532 -3.579 1.00 0.00 C ATOM 332 CD GLU A 21 14.081 6.462 -4.201 1.00 0.00 C ATOM 333 OE1 GLU A 21 14.591 7.510 -4.648 1.00 0.00 O ATOM 334 OE2 GLU A 21 14.681 5.361 -4.245 1.00 0.00 O ATOM 0 H GLU A 21 12.775 5.098 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 21 14.651 7.306 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.624 7.265 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.745 8.420 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.331 5.520 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.986 6.958 -4.307 1.00 0.00 H new ATOM 341 N SER A 22 14.245 8.651 0.507 1.00 0.00 N ATOM 342 CA SER A 22 14.171 9.335 1.813 1.00 0.00 C ATOM 343 C SER A 22 14.776 10.748 1.740 1.00 0.00 C ATOM 344 O SER A 22 15.456 11.099 0.762 1.00 0.00 O ATOM 345 CB SER A 22 14.871 8.478 2.901 1.00 0.00 C ATOM 346 OG SER A 22 16.193 8.136 2.524 1.00 0.00 O ATOM 0 H SER A 22 15.009 8.978 -0.084 1.00 0.00 H new ATOM 0 HA SER A 22 13.121 9.449 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.891 9.028 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.295 7.569 3.076 1.00 0.00 H new ATOM 0 HG SER A 22 16.606 7.598 3.231 1.00 0.00 H new ATOM 352 N ARG A 23 14.499 11.538 2.803 1.00 0.00 N ATOM 353 CA ARG A 23 14.886 12.958 2.952 1.00 0.00 C ATOM 354 C ARG A 23 14.087 13.888 2.014 1.00 0.00 C ATOM 355 O ARG A 23 13.564 13.453 0.980 1.00 0.00 O ATOM 356 CB ARG A 23 16.423 13.190 2.813 1.00 0.00 C ATOM 357 CG ARG A 23 17.262 12.696 4.014 1.00 0.00 C ATOM 358 CD ARG A 23 16.917 13.438 5.321 1.00 0.00 C ATOM 359 NE ARG A 23 17.826 13.083 6.423 1.00 0.00 N ATOM 360 CZ ARG A 23 17.787 13.618 7.655 1.00 0.00 C ATOM 361 NH1 ARG A 23 16.891 14.548 7.974 1.00 0.00 N ATOM 362 NH2 ARG A 23 18.662 13.225 8.567 1.00 0.00 N ATOM 0 H ARG A 23 13.981 11.190 3.610 1.00 0.00 H new ATOM 0 HA ARG A 23 14.622 13.226 3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 23 16.773 12.687 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 23 16.605 14.256 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 23 17.098 11.627 4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 23 18.321 12.830 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.962 14.513 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.892 13.204 5.609 1.00 0.00 H new ATOM 0 HE ARG A 23 18.539 12.378 6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.217 14.867 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.878 14.942 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 23 19.361 12.520 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.638 13.627 9.504 1.00 0.00 H new ATOM 376 N GLU A 24 14.008 15.174 2.430 1.00 0.00 N ATOM 377 CA GLU A 24 13.302 16.266 1.731 1.00 0.00 C ATOM 378 C GLU A 24 11.776 16.057 1.787 1.00 0.00 C ATOM 379 O GLU A 24 11.081 16.718 2.568 1.00 0.00 O ATOM 380 CB GLU A 24 13.825 16.472 0.270 1.00 0.00 C ATOM 381 CG GLU A 24 15.317 16.855 0.185 1.00 0.00 C ATOM 382 CD GLU A 24 15.824 17.014 -1.257 1.00 0.00 C ATOM 383 OE1 GLU A 24 15.557 18.066 -1.879 1.00 0.00 O ATOM 384 OE2 GLU A 24 16.475 16.084 -1.783 1.00 0.00 O ATOM 0 H GLU A 24 14.451 15.488 3.293 1.00 0.00 H new ATOM 0 HA GLU A 24 13.524 17.193 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.663 15.554 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.233 17.251 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.476 17.789 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.910 16.092 0.689 1.00 0.00 H new ATOM 391 N GLY A 25 11.269 15.126 0.968 1.00 0.00 N ATOM 392 CA GLY A 25 9.858 14.765 0.974 1.00 0.00 C ATOM 393 C GLY A 25 9.341 14.422 -0.409 1.00 0.00 C ATOM 394 O GLY A 25 9.334 15.271 -1.300 1.00 0.00 O ATOM 0 H GLY A 25 11.827 14.609 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.707 13.913 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.276 15.592 1.381 1.00 0.00 H new ATOM 398 N MET A 26 8.919 13.161 -0.581 1.00 0.00 N ATOM 399 CA MET A 26 8.205 12.677 -1.784 1.00 0.00 C ATOM 400 C MET A 26 6.736 13.176 -1.758 1.00 0.00 C ATOM 401 O MET A 26 6.381 14.051 -0.950 1.00 0.00 O ATOM 402 CB MET A 26 8.238 11.119 -1.835 1.00 0.00 C ATOM 403 CG MET A 26 9.631 10.478 -1.777 1.00 0.00 C ATOM 404 SD MET A 26 9.550 8.672 -1.728 1.00 0.00 S ATOM 405 CE MET A 26 9.059 8.268 -3.404 1.00 0.00 C ATOM 0 H MET A 26 9.064 12.433 0.119 1.00 0.00 H new ATOM 0 HA MET A 26 8.700 13.068 -2.673 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.647 10.735 -1.004 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.747 10.794 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.209 10.791 -2.646 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.160 10.840 -0.895 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.102 7.747 -3.387 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.963 9.185 -3.986 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.813 7.627 -3.860 1.00 0.00 H new ATOM 415 N THR A 27 5.890 12.612 -2.643 1.00 0.00 N ATOM 416 CA THR A 27 4.454 12.929 -2.703 1.00 0.00 C ATOM 417 C THR A 27 3.756 12.609 -1.351 1.00 0.00 C ATOM 418 O THR A 27 3.683 11.445 -0.933 1.00 0.00 O ATOM 419 CB THR A 27 3.759 12.145 -3.863 1.00 0.00 C ATOM 420 OG1 THR A 27 3.954 10.732 -3.680 1.00 0.00 O ATOM 421 CG2 THR A 27 4.303 12.556 -5.249 1.00 0.00 C ATOM 0 H THR A 27 6.186 11.924 -3.335 1.00 0.00 H new ATOM 0 HA THR A 27 4.359 13.997 -2.898 1.00 0.00 H new ATOM 0 HB THR A 27 2.697 12.390 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.083 10.285 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.791 11.986 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.129 13.620 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.373 12.352 -5.295 1.00 0.00 H new ATOM 429 N SER A 28 3.294 13.663 -0.660 1.00 0.00 N ATOM 430 CA SER A 28 2.582 13.541 0.621 1.00 0.00 C ATOM 431 C SER A 28 1.071 13.528 0.348 1.00 0.00 C ATOM 432 O SER A 28 0.411 14.572 0.367 1.00 0.00 O ATOM 433 CB SER A 28 3.003 14.679 1.587 1.00 0.00 C ATOM 434 OG SER A 28 2.958 15.953 0.961 1.00 0.00 O ATOM 0 H SER A 28 3.404 14.627 -0.975 1.00 0.00 H new ATOM 0 HA SER A 28 2.846 12.606 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.345 14.679 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.013 14.490 1.952 1.00 0.00 H new ATOM 0 HG SER A 28 2.104 16.057 0.491 1.00 0.00 H new ATOM 440 N ASP A 29 0.550 12.328 0.040 1.00 0.00 N ATOM 441 CA ASP A 29 -0.831 12.132 -0.459 1.00 0.00 C ATOM 442 C ASP A 29 -1.431 10.828 0.069 1.00 0.00 C ATOM 443 O ASP A 29 -0.741 9.802 0.146 1.00 0.00 O ATOM 444 CB ASP A 29 -0.859 12.093 -2.017 1.00 0.00 C ATOM 445 CG ASP A 29 -0.802 13.482 -2.669 1.00 0.00 C ATOM 446 OD1 ASP A 29 -1.873 14.113 -2.827 1.00 0.00 O ATOM 447 OD2 ASP A 29 0.307 13.966 -3.000 1.00 0.00 O ATOM 0 H ASP A 29 1.075 11.458 0.129 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.421 12.975 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.017 11.500 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.767 11.585 -2.343 1.00 0.00 H new ATOM 452 N THR A 30 -2.733 10.878 0.396 1.00 0.00 N ATOM 453 CA THR A 30 -3.528 9.693 0.727 1.00 0.00 C ATOM 454 C THR A 30 -4.140 9.131 -0.567 1.00 0.00 C ATOM 455 O THR A 30 -5.072 9.720 -1.122 1.00 0.00 O ATOM 456 CB THR A 30 -4.663 10.035 1.754 1.00 0.00 C ATOM 457 OG1 THR A 30 -4.105 10.747 2.870 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.380 8.764 2.270 1.00 0.00 C ATOM 0 H THR A 30 -3.263 11.749 0.437 1.00 0.00 H new ATOM 0 HA THR A 30 -2.878 8.950 1.190 1.00 0.00 H new ATOM 0 HB THR A 30 -5.399 10.651 1.238 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.292 10.292 3.175 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.158 9.048 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.829 8.234 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.658 8.114 2.765 1.00 0.00 H new ATOM 466 N TYR A 31 -3.600 8.002 -1.043 1.00 0.00 N ATOM 467 CA TYR A 31 -4.080 7.338 -2.260 1.00 0.00 C ATOM 468 C TYR A 31 -5.331 6.526 -1.898 1.00 0.00 C ATOM 469 O TYR A 31 -5.235 5.462 -1.288 1.00 0.00 O ATOM 470 CB TYR A 31 -2.988 6.418 -2.890 1.00 0.00 C ATOM 471 CG TYR A 31 -1.587 7.047 -3.034 1.00 0.00 C ATOM 472 CD1 TYR A 31 -1.412 8.361 -3.478 1.00 0.00 C ATOM 473 CD2 TYR A 31 -0.435 6.310 -2.737 1.00 0.00 C ATOM 474 CE1 TYR A 31 -0.150 8.906 -3.621 1.00 0.00 C ATOM 475 CE2 TYR A 31 0.823 6.853 -2.876 1.00 0.00 C ATOM 476 CZ TYR A 31 0.960 8.150 -3.313 1.00 0.00 C ATOM 477 OH TYR A 31 2.218 8.691 -3.442 1.00 0.00 O ATOM 0 H TYR A 31 -2.818 7.524 -0.595 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.320 8.092 -3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.901 5.518 -2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.328 6.104 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.279 8.961 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.535 5.292 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.034 9.921 -3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.697 6.263 -2.643 1.00 0.00 H new ATOM 0 HH TYR A 31 2.736 8.512 -2.629 1.00 0.00 H new ATOM 487 N THR A 32 -6.506 7.076 -2.222 1.00 0.00 N ATOM 488 CA THR A 32 -7.795 6.516 -1.795 1.00 0.00 C ATOM 489 C THR A 32 -8.890 6.725 -2.855 1.00 0.00 C ATOM 490 O THR A 32 -9.751 5.858 -3.032 1.00 0.00 O ATOM 491 CB THR A 32 -8.237 7.137 -0.419 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.494 6.587 0.019 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.323 8.677 -0.473 1.00 0.00 C ATOM 0 H THR A 32 -6.591 7.921 -2.787 1.00 0.00 H new ATOM 0 HA THR A 32 -7.659 5.442 -1.671 1.00 0.00 H new ATOM 0 HB THR A 32 -7.465 6.873 0.303 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.745 6.988 0.877 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.632 9.059 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.346 9.087 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.052 8.975 -1.227 1.00 0.00 H new ATOM 501 N LYS A 33 -8.835 7.852 -3.590 1.00 0.00 N ATOM 502 CA LYS A 33 -9.945 8.276 -4.485 1.00 0.00 C ATOM 503 C LYS A 33 -9.802 7.688 -5.897 1.00 0.00 C ATOM 504 O LYS A 33 -10.619 7.990 -6.780 1.00 0.00 O ATOM 505 CB LYS A 33 -10.027 9.833 -4.536 1.00 0.00 C ATOM 506 CG LYS A 33 -8.881 10.507 -5.319 1.00 0.00 C ATOM 507 CD LYS A 33 -8.724 12.015 -5.024 1.00 0.00 C ATOM 508 CE LYS A 33 -7.490 12.610 -5.719 1.00 0.00 C ATOM 509 NZ LYS A 33 -7.299 14.046 -5.391 1.00 0.00 N ATOM 0 H LYS A 33 -8.038 8.489 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.875 7.886 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.977 10.120 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.029 10.218 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.945 10.001 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.055 10.372 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.617 12.544 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.643 12.168 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.603 12.050 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.593 12.496 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.455 14.405 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.133 14.586 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.174 14.154 -4.364 1.00 0.00 H new ATOM 523 N VAL A 34 -8.779 6.821 -6.065 1.00 0.00 N ATOM 524 CA VAL A 34 -8.377 6.211 -7.345 1.00 0.00 C ATOM 525 C VAL A 34 -7.863 7.294 -8.325 1.00 0.00 C ATOM 526 O VAL A 34 -8.535 8.309 -8.559 1.00 0.00 O ATOM 527 CB VAL A 34 -9.529 5.340 -7.983 1.00 0.00 C ATOM 528 CG1 VAL A 34 -9.120 4.748 -9.355 1.00 0.00 C ATOM 529 CG2 VAL A 34 -9.985 4.221 -7.005 1.00 0.00 C ATOM 0 H VAL A 34 -8.194 6.519 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.557 5.524 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.375 6.004 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.943 4.157 -9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.885 5.558 -10.045 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.243 4.112 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.779 3.635 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.140 3.571 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.356 4.671 -6.084 1.00 0.00 H new ATOM 539 N ASP A 35 -6.642 7.072 -8.845 1.00 0.00 N ATOM 540 CA ASP A 35 -5.950 7.970 -9.791 1.00 0.00 C ATOM 541 C ASP A 35 -5.487 9.236 -9.044 1.00 0.00 C ATOM 542 O ASP A 35 -5.668 10.373 -9.485 1.00 0.00 O ATOM 543 CB ASP A 35 -6.821 8.256 -11.059 1.00 0.00 C ATOM 544 CG ASP A 35 -6.094 9.039 -12.168 1.00 0.00 C ATOM 545 OD1 ASP A 35 -4.957 8.664 -12.519 1.00 0.00 O ATOM 546 OD2 ASP A 35 -6.668 10.006 -12.719 1.00 0.00 O ATOM 0 H ASP A 35 -6.095 6.243 -8.614 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.056 7.482 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.167 7.307 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.707 8.815 -10.758 1.00 0.00 H new ATOM 551 N ASP A 36 -4.863 8.990 -7.880 1.00 0.00 N ATOM 552 CA ASP A 36 -4.277 10.019 -6.996 1.00 0.00 C ATOM 553 C ASP A 36 -2.840 10.374 -7.477 1.00 0.00 C ATOM 554 O ASP A 36 -1.893 10.388 -6.676 1.00 0.00 O ATOM 555 CB ASP A 36 -4.223 9.477 -5.534 1.00 0.00 C ATOM 556 CG ASP A 36 -5.552 8.928 -4.988 1.00 0.00 C ATOM 557 OD1 ASP A 36 -6.000 7.851 -5.445 1.00 0.00 O ATOM 558 OD2 ASP A 36 -6.127 9.535 -4.058 1.00 0.00 O ATOM 0 H ASP A 36 -4.748 8.044 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.895 10.916 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.474 8.686 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.883 10.279 -4.879 1.00 0.00 H new ATOM 563 N SER A 37 -2.702 10.621 -8.803 1.00 0.00 N ATOM 564 CA SER A 37 -1.419 10.869 -9.514 1.00 0.00 C ATOM 565 C SER A 37 -0.401 9.705 -9.366 1.00 0.00 C ATOM 566 O SER A 37 0.798 9.886 -9.620 1.00 0.00 O ATOM 567 CB SER A 37 -0.782 12.244 -9.129 1.00 0.00 C ATOM 568 OG SER A 37 -0.297 12.290 -7.791 1.00 0.00 O ATOM 0 H SER A 37 -3.506 10.655 -9.429 1.00 0.00 H new ATOM 0 HA SER A 37 -1.678 10.916 -10.572 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.039 12.459 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.524 13.030 -9.265 1.00 0.00 H new ATOM 0 HG SER A 37 -0.670 11.540 -7.282 1.00 0.00 H new ATOM 574 N GLN A 38 -0.893 8.502 -8.997 1.00 0.00 N ATOM 575 CA GLN A 38 -0.063 7.296 -8.819 1.00 0.00 C ATOM 576 C GLN A 38 -0.293 6.319 -9.994 1.00 0.00 C ATOM 577 O GLN A 38 -1.398 6.284 -10.542 1.00 0.00 O ATOM 578 CB GLN A 38 -0.321 6.613 -7.420 1.00 0.00 C ATOM 579 CG GLN A 38 -1.700 6.843 -6.769 1.00 0.00 C ATOM 580 CD GLN A 38 -2.851 6.120 -7.452 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.443 6.640 -8.382 1.00 0.00 O ATOM 582 NE2 GLN A 38 -3.192 4.933 -6.981 1.00 0.00 N ATOM 0 H GLN A 38 -1.884 8.342 -8.814 1.00 0.00 H new ATOM 0 HA GLN A 38 0.986 7.592 -8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.177 5.539 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.443 6.964 -6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.654 6.523 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.911 7.912 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.675 4.526 -6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.972 4.424 -7.397 1.00 0.00 H new ATOM 591 N PRO A 39 0.768 5.541 -10.415 1.00 0.00 N ATOM 592 CA PRO A 39 0.669 4.523 -11.498 1.00 0.00 C ATOM 593 C PRO A 39 -0.475 3.510 -11.297 1.00 0.00 C ATOM 594 O PRO A 39 -0.876 3.241 -10.158 1.00 0.00 O ATOM 595 CB PRO A 39 2.040 3.801 -11.438 1.00 0.00 C ATOM 596 CG PRO A 39 2.985 4.808 -10.861 1.00 0.00 C ATOM 597 CD PRO A 39 2.162 5.641 -9.893 1.00 0.00 C ATOM 0 HA PRO A 39 0.446 4.993 -12.456 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.988 2.907 -10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.361 3.481 -12.429 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.813 4.318 -10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.418 5.431 -11.643 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.235 5.256 -8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.504 6.676 -9.868 1.00 0.00 H new ATOM 605 N ALA A 40 -0.945 2.926 -12.421 1.00 0.00 N ATOM 606 CA ALA A 40 -2.039 1.928 -12.447 1.00 0.00 C ATOM 607 C ALA A 40 -1.765 0.742 -11.501 1.00 0.00 C ATOM 608 O ALA A 40 -2.692 0.187 -10.926 1.00 0.00 O ATOM 609 CB ALA A 40 -2.272 1.438 -13.886 1.00 0.00 C ATOM 0 H ALA A 40 -0.572 3.136 -13.347 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.944 2.418 -12.087 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.078 0.705 -13.895 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.544 2.283 -14.519 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.360 0.979 -14.266 1.00 0.00 H new ATOM 615 N PHE A 41 -0.473 0.412 -11.330 1.00 0.00 N ATOM 616 CA PHE A 41 0.001 -0.633 -10.401 1.00 0.00 C ATOM 617 C PHE A 41 -0.473 -0.353 -8.950 1.00 0.00 C ATOM 618 O PHE A 41 -0.961 -1.254 -8.260 1.00 0.00 O ATOM 619 CB PHE A 41 1.547 -0.700 -10.445 1.00 0.00 C ATOM 620 CG PHE A 41 2.142 -1.059 -11.810 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.387 -0.071 -12.771 1.00 0.00 C ATOM 622 CD2 PHE A 41 2.465 -2.380 -12.130 1.00 0.00 C ATOM 623 CE1 PHE A 41 2.933 -0.394 -14.001 1.00 0.00 C ATOM 624 CE2 PHE A 41 3.013 -2.698 -13.360 1.00 0.00 C ATOM 625 CZ PHE A 41 3.247 -1.707 -14.295 1.00 0.00 C ATOM 0 H PHE A 41 0.283 0.869 -11.840 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.420 -1.588 -10.715 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.946 0.265 -10.134 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.885 -1.435 -9.714 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.146 0.958 -12.549 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.285 -3.163 -11.408 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.114 0.381 -14.731 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.259 -3.724 -13.590 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.675 -1.959 -15.254 1.00 0.00 H new ATOM 635 N ILE A 42 -0.337 0.920 -8.520 1.00 0.00 N ATOM 636 CA ILE A 42 -0.770 1.378 -7.180 1.00 0.00 C ATOM 637 C ILE A 42 -2.315 1.420 -7.110 1.00 0.00 C ATOM 638 O ILE A 42 -2.904 1.205 -6.041 1.00 0.00 O ATOM 639 CB ILE A 42 -0.165 2.795 -6.829 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.388 2.782 -6.972 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.571 3.262 -5.404 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.120 1.870 -5.988 1.00 0.00 C ATOM 0 H ILE A 42 0.075 1.659 -9.090 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.396 0.667 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.580 3.508 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.642 2.475 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.758 3.799 -6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.134 4.240 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.657 3.329 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.207 2.544 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.194 1.930 -6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.904 2.187 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.786 0.842 -6.127 1.00 0.00 H new ATOM 654 N ASN A 43 -2.965 1.652 -8.276 1.00 0.00 N ATOM 655 CA ASN A 43 -4.439 1.690 -8.380 1.00 0.00 C ATOM 656 C ASN A 43 -5.010 0.282 -8.242 1.00 0.00 C ATOM 657 O ASN A 43 -6.093 0.105 -7.693 1.00 0.00 O ATOM 658 CB ASN A 43 -4.877 2.328 -9.723 1.00 0.00 C ATOM 659 CG ASN A 43 -4.711 3.839 -9.724 1.00 0.00 C ATOM 660 OD1 ASN A 43 -5.641 4.563 -9.411 1.00 0.00 O ATOM 661 ND2 ASN A 43 -3.519 4.319 -10.035 1.00 0.00 N ATOM 0 H ASN A 43 -2.486 1.816 -9.161 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.830 2.306 -7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.290 1.899 -10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.920 2.079 -9.918 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.354 5.325 -10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.764 3.683 -10.292 1.00 0.00 H new ATOM 668 N ASP A 44 -4.244 -0.704 -8.731 1.00 0.00 N ATOM 669 CA ASP A 44 -4.598 -2.123 -8.643 1.00 0.00 C ATOM 670 C ASP A 44 -4.654 -2.554 -7.173 1.00 0.00 C ATOM 671 O ASP A 44 -5.580 -3.259 -6.775 1.00 0.00 O ATOM 672 CB ASP A 44 -3.585 -2.990 -9.429 1.00 0.00 C ATOM 673 CG ASP A 44 -3.916 -4.495 -9.373 1.00 0.00 C ATOM 674 OD1 ASP A 44 -4.813 -4.938 -10.123 1.00 0.00 O ATOM 675 OD2 ASP A 44 -3.290 -5.236 -8.579 1.00 0.00 O ATOM 0 H ASP A 44 -3.355 -0.535 -9.202 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.581 -2.268 -9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.566 -2.665 -10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.585 -2.827 -9.026 1.00 0.00 H new ATOM 680 N ILE A 45 -3.663 -2.072 -6.378 1.00 0.00 N ATOM 681 CA ILE A 45 -3.599 -2.324 -4.926 1.00 0.00 C ATOM 682 C ILE A 45 -4.868 -1.767 -4.239 1.00 0.00 C ATOM 683 O ILE A 45 -5.481 -2.451 -3.423 1.00 0.00 O ATOM 684 CB ILE A 45 -2.323 -1.695 -4.244 1.00 0.00 C ATOM 685 CG1 ILE A 45 -1.011 -2.077 -4.997 1.00 0.00 C ATOM 686 CG2 ILE A 45 -2.232 -2.127 -2.755 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.240 -1.395 -4.455 1.00 0.00 C ATOM 0 H ILE A 45 -2.894 -1.502 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.535 -3.405 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.430 -0.611 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.875 -3.157 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.123 -1.822 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.346 -1.684 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.121 -1.788 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.166 -3.213 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.108 -1.714 -5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.128 -0.314 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.380 -1.669 -3.409 1.00 0.00 H new ATOM 699 N LEU A 46 -5.266 -0.528 -4.621 1.00 0.00 N ATOM 700 CA LEU A 46 -6.504 0.120 -4.114 1.00 0.00 C ATOM 701 C LEU A 46 -7.755 -0.736 -4.431 1.00 0.00 C ATOM 702 O LEU A 46 -8.684 -0.811 -3.624 1.00 0.00 O ATOM 703 CB LEU A 46 -6.670 1.556 -4.709 1.00 0.00 C ATOM 704 CG LEU A 46 -5.533 2.576 -4.384 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.804 3.953 -5.036 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.319 2.708 -2.863 1.00 0.00 C ATOM 0 H LEU A 46 -4.744 0.046 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.409 0.202 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.753 1.470 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.613 1.968 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.611 2.187 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.993 4.638 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.865 3.838 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.745 4.354 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.521 3.425 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.240 3.054 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.044 1.738 -2.449 1.00 0.00 H new ATOM 718 N LYS A 47 -7.746 -1.380 -5.617 1.00 0.00 N ATOM 719 CA LYS A 47 -8.856 -2.234 -6.095 1.00 0.00 C ATOM 720 C LYS A 47 -8.828 -3.637 -5.451 1.00 0.00 C ATOM 721 O LYS A 47 -9.848 -4.339 -5.473 1.00 0.00 O ATOM 722 CB LYS A 47 -8.803 -2.364 -7.636 1.00 0.00 C ATOM 723 CG LYS A 47 -8.923 -1.027 -8.393 1.00 0.00 C ATOM 724 CD LYS A 47 -8.757 -1.197 -9.917 1.00 0.00 C ATOM 725 CE LYS A 47 -8.757 0.140 -10.664 1.00 0.00 C ATOM 726 NZ LYS A 47 -8.666 -0.046 -12.136 1.00 0.00 N ATOM 0 H LYS A 47 -6.967 -1.323 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.787 -1.752 -5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.865 -2.843 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.607 -3.025 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.895 -0.580 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.167 -0.334 -8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.824 -1.722 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.564 -1.822 -10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.667 0.690 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.918 0.746 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.669 0.883 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.786 -0.548 -12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.480 -0.603 -12.467 1.00 0.00 H new ATOM 740 N VAL A 48 -7.655 -4.052 -4.906 1.00 0.00 N ATOM 741 CA VAL A 48 -7.516 -5.352 -4.215 1.00 0.00 C ATOM 742 C VAL A 48 -8.470 -5.399 -3.011 1.00 0.00 C ATOM 743 O VAL A 48 -8.415 -4.519 -2.136 1.00 0.00 O ATOM 744 CB VAL A 48 -6.032 -5.652 -3.750 1.00 0.00 C ATOM 745 CG1 VAL A 48 -5.951 -6.887 -2.806 1.00 0.00 C ATOM 746 CG2 VAL A 48 -5.096 -5.843 -4.970 1.00 0.00 C ATOM 0 H VAL A 48 -6.796 -3.503 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.778 -6.129 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.697 -4.783 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.914 -7.054 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.554 -6.705 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.327 -7.768 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.083 -6.048 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.449 -6.680 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.096 -4.936 -5.574 1.00 0.00 H new ATOM 756 N GLU A 49 -9.364 -6.408 -3.020 1.00 0.00 N ATOM 757 CA GLU A 49 -10.325 -6.665 -1.941 1.00 0.00 C ATOM 758 C GLU A 49 -9.567 -7.022 -0.649 1.00 0.00 C ATOM 759 O GLU A 49 -9.234 -8.191 -0.395 1.00 0.00 O ATOM 760 CB GLU A 49 -11.309 -7.790 -2.366 1.00 0.00 C ATOM 761 CG GLU A 49 -12.131 -7.455 -3.630 1.00 0.00 C ATOM 762 CD GLU A 49 -12.969 -8.636 -4.145 1.00 0.00 C ATOM 763 OE1 GLU A 49 -12.408 -9.510 -4.849 1.00 0.00 O ATOM 764 OE2 GLU A 49 -14.182 -8.705 -3.854 1.00 0.00 O ATOM 0 H GLU A 49 -9.436 -7.073 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.915 -5.769 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.745 -8.706 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.993 -7.992 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.793 -6.617 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.453 -7.129 -4.419 1.00 0.00 H new ATOM 771 N GLY A 50 -9.252 -5.975 0.121 1.00 0.00 N ATOM 772 CA GLY A 50 -8.460 -6.092 1.331 1.00 0.00 C ATOM 773 C GLY A 50 -7.827 -4.771 1.732 1.00 0.00 C ATOM 774 O GLY A 50 -7.636 -4.517 2.917 1.00 0.00 O ATOM 0 H GLY A 50 -9.545 -5.020 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.092 -6.452 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.678 -6.837 1.181 1.00 0.00 H new ATOM 778 N VAL A 51 -7.488 -3.936 0.733 1.00 0.00 N ATOM 779 CA VAL A 51 -6.870 -2.611 0.952 1.00 0.00 C ATOM 780 C VAL A 51 -7.967 -1.535 1.040 1.00 0.00 C ATOM 781 O VAL A 51 -8.874 -1.497 0.198 1.00 0.00 O ATOM 782 CB VAL A 51 -5.868 -2.256 -0.212 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.166 -0.890 0.002 1.00 0.00 C ATOM 784 CG2 VAL A 51 -4.833 -3.384 -0.409 1.00 0.00 C ATOM 0 H VAL A 51 -7.634 -4.159 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.312 -2.643 1.888 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.461 -2.165 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.487 -0.696 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.915 -0.100 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.601 -0.913 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.153 -3.116 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.266 -3.523 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.348 -4.311 -0.661 1.00 0.00 H new ATOM 794 N LYS A 52 -7.887 -0.686 2.072 1.00 0.00 N ATOM 795 CA LYS A 52 -8.780 0.474 2.237 1.00 0.00 C ATOM 796 C LYS A 52 -8.192 1.679 1.481 1.00 0.00 C ATOM 797 O LYS A 52 -8.868 2.305 0.655 1.00 0.00 O ATOM 798 CB LYS A 52 -8.962 0.813 3.740 1.00 0.00 C ATOM 799 CG LYS A 52 -9.992 1.923 4.032 1.00 0.00 C ATOM 800 CD LYS A 52 -10.108 2.258 5.535 1.00 0.00 C ATOM 801 CE LYS A 52 -11.236 3.263 5.835 1.00 0.00 C ATOM 802 NZ LYS A 52 -11.055 4.559 5.123 1.00 0.00 N ATOM 0 H LYS A 52 -7.200 -0.782 2.820 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.760 0.233 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.264 -0.091 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.998 1.114 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.712 2.824 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.968 1.613 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.287 1.340 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.160 2.666 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.192 2.826 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.278 3.446 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.822 5.210 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.140 4.976 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.076 4.397 4.096 1.00 0.00 H new ATOM 816 N SER A 53 -6.913 1.970 1.767 1.00 0.00 N ATOM 817 CA SER A 53 -6.175 3.088 1.158 1.00 0.00 C ATOM 818 C SER A 53 -4.659 2.911 1.362 1.00 0.00 C ATOM 819 O SER A 53 -4.214 1.996 2.057 1.00 0.00 O ATOM 820 CB SER A 53 -6.656 4.440 1.753 1.00 0.00 C ATOM 821 OG SER A 53 -6.546 4.455 3.161 1.00 0.00 O ATOM 0 H SER A 53 -6.358 1.432 2.432 1.00 0.00 H new ATOM 0 HA SER A 53 -6.375 3.093 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.066 5.254 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.693 4.617 1.466 1.00 0.00 H new ATOM 0 HG SER A 53 -5.603 4.381 3.416 1.00 0.00 H new ATOM 827 N ILE A 54 -3.881 3.794 0.723 1.00 0.00 N ATOM 828 CA ILE A 54 -2.416 3.830 0.822 1.00 0.00 C ATOM 829 C ILE A 54 -1.994 5.281 1.089 1.00 0.00 C ATOM 830 O ILE A 54 -1.983 6.088 0.171 1.00 0.00 O ATOM 831 CB ILE A 54 -1.730 3.330 -0.517 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.181 1.888 -0.898 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.185 3.409 -0.431 1.00 0.00 C ATOM 834 CD1 ILE A 54 -1.669 1.415 -2.248 1.00 0.00 C ATOM 0 H ILE A 54 -4.259 4.517 0.111 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.099 3.168 1.628 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.061 4.004 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.838 1.196 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.270 1.848 -0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.250 3.058 -1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.117 4.441 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.166 2.783 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.027 0.403 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.033 2.082 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.579 1.420 -2.246 1.00 0.00 H new ATOM 846 N PHE A 55 -1.676 5.631 2.335 1.00 0.00 N ATOM 847 CA PHE A 55 -1.165 6.981 2.652 1.00 0.00 C ATOM 848 C PHE A 55 0.342 7.031 2.349 1.00 0.00 C ATOM 849 O PHE A 55 1.022 6.025 2.456 1.00 0.00 O ATOM 850 CB PHE A 55 -1.454 7.337 4.132 1.00 0.00 C ATOM 851 CG PHE A 55 -0.955 8.719 4.576 1.00 0.00 C ATOM 852 CD1 PHE A 55 -1.284 9.867 3.850 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.161 8.872 5.716 1.00 0.00 C ATOM 854 CE1 PHE A 55 -0.846 11.116 4.246 1.00 0.00 C ATOM 855 CE2 PHE A 55 0.274 10.124 6.111 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.063 11.244 5.374 1.00 0.00 C ATOM 0 H PHE A 55 -1.759 5.011 3.141 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.674 7.721 2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.530 7.285 4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.995 6.580 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.892 9.776 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.116 8.003 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.116 11.991 3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.880 10.227 6.999 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.287 12.219 5.681 1.00 0.00 H new ATOM 866 N HIS A 56 0.850 8.185 1.902 1.00 0.00 N ATOM 867 CA HIS A 56 2.293 8.379 1.680 1.00 0.00 C ATOM 868 C HIS A 56 2.700 9.740 2.252 1.00 0.00 C ATOM 869 O HIS A 56 1.990 10.729 2.059 1.00 0.00 O ATOM 870 CB HIS A 56 2.614 8.272 0.164 1.00 0.00 C ATOM 871 CG HIS A 56 4.082 8.267 -0.193 1.00 0.00 C ATOM 872 ND1 HIS A 56 4.548 8.648 -1.435 1.00 0.00 N ATOM 873 CD2 HIS A 56 5.183 7.888 0.514 1.00 0.00 C ATOM 874 CE1 HIS A 56 5.855 8.501 -1.477 1.00 0.00 C ATOM 875 NE2 HIS A 56 6.266 8.045 -0.308 1.00 0.00 N ATOM 0 H HIS A 56 0.282 9.004 1.685 1.00 0.00 H new ATOM 0 HA HIS A 56 2.865 7.603 2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.161 7.358 -0.221 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.136 9.106 -0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.198 7.530 1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.486 8.717 -2.326 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.234 7.843 -0.058 1.00 0.00 H new ATOM 884 N VAL A 57 3.830 9.764 2.983 1.00 0.00 N ATOM 885 CA VAL A 57 4.356 10.978 3.627 1.00 0.00 C ATOM 886 C VAL A 57 5.898 10.920 3.698 1.00 0.00 C ATOM 887 O VAL A 57 6.474 9.958 4.229 1.00 0.00 O ATOM 888 CB VAL A 57 3.741 11.187 5.063 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.820 9.900 5.900 1.00 0.00 C ATOM 890 CG2 VAL A 57 4.380 12.393 5.801 1.00 0.00 C ATOM 0 H VAL A 57 4.405 8.937 3.143 1.00 0.00 H new ATOM 0 HA VAL A 57 4.062 11.833 3.018 1.00 0.00 H new ATOM 0 HB VAL A 57 2.686 11.425 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.387 10.079 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.266 9.106 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.862 9.601 6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.926 12.499 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.451 12.226 5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.213 13.303 5.224 1.00 0.00 H new ATOM 900 N MET A 58 6.531 11.972 3.138 1.00 0.00 N ATOM 901 CA MET A 58 7.992 12.177 3.122 1.00 0.00 C ATOM 902 C MET A 58 8.757 10.989 2.497 1.00 0.00 C ATOM 903 O MET A 58 9.095 11.026 1.327 1.00 0.00 O ATOM 904 CB MET A 58 8.538 12.543 4.533 1.00 0.00 C ATOM 905 CG MET A 58 10.025 12.940 4.552 1.00 0.00 C ATOM 906 SD MET A 58 10.573 13.545 6.164 1.00 0.00 S ATOM 907 CE MET A 58 9.498 14.960 6.398 1.00 0.00 C ATOM 0 H MET A 58 6.023 12.724 2.671 1.00 0.00 H new ATOM 0 HA MET A 58 8.175 13.032 2.471 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.949 13.367 4.936 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.392 11.692 5.198 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.629 12.078 4.269 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.199 13.712 3.802 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.060 15.771 6.861 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.114 15.289 5.432 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.665 14.681 7.044 1.00 0.00 H new ATOM 917 N ASP A 59 9.013 9.935 3.277 1.00 0.00 N ATOM 918 CA ASP A 59 9.729 8.737 2.803 1.00 0.00 C ATOM 919 C ASP A 59 8.850 7.490 2.950 1.00 0.00 C ATOM 920 O ASP A 59 8.818 6.630 2.061 1.00 0.00 O ATOM 921 CB ASP A 59 11.056 8.555 3.584 1.00 0.00 C ATOM 922 CG ASP A 59 10.862 8.297 5.089 1.00 0.00 C ATOM 923 OD1 ASP A 59 10.511 9.251 5.819 1.00 0.00 O ATOM 924 OD2 ASP A 59 11.046 7.146 5.545 1.00 0.00 O ATOM 0 H ASP A 59 8.731 9.884 4.256 1.00 0.00 H new ATOM 0 HA ASP A 59 9.962 8.872 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.610 7.722 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.668 9.447 3.454 1.00 0.00 H new ATOM 929 N PHE A 60 8.104 7.422 4.063 1.00 0.00 N ATOM 930 CA PHE A 60 7.414 6.198 4.487 1.00 0.00 C ATOM 931 C PHE A 60 5.940 6.230 4.066 1.00 0.00 C ATOM 932 O PHE A 60 5.270 7.271 4.123 1.00 0.00 O ATOM 933 CB PHE A 60 7.567 5.960 6.024 1.00 0.00 C ATOM 934 CG PHE A 60 6.896 7.003 6.932 1.00 0.00 C ATOM 935 CD1 PHE A 60 7.440 8.282 7.079 1.00 0.00 C ATOM 936 CD2 PHE A 60 5.721 6.706 7.636 1.00 0.00 C ATOM 937 CE1 PHE A 60 6.836 9.226 7.888 1.00 0.00 C ATOM 938 CE2 PHE A 60 5.116 7.654 8.443 1.00 0.00 C ATOM 939 CZ PHE A 60 5.676 8.913 8.573 1.00 0.00 C ATOM 0 H PHE A 60 7.963 8.213 4.692 1.00 0.00 H new ATOM 0 HA PHE A 60 7.886 5.355 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.156 4.979 6.263 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.630 5.927 6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.347 8.537 6.552 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.281 5.723 7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.271 10.210 7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.206 7.411 8.972 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.208 9.650 9.209 1.00 0.00 H new ATOM 949 N ILE A 61 5.477 5.074 3.599 1.00 0.00 N ATOM 950 CA ILE A 61 4.075 4.810 3.270 1.00 0.00 C ATOM 951 C ILE A 61 3.334 4.365 4.559 1.00 0.00 C ATOM 952 O ILE A 61 3.974 4.056 5.555 1.00 0.00 O ATOM 953 CB ILE A 61 4.008 3.699 2.141 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.789 4.162 0.870 1.00 0.00 C ATOM 955 CG2 ILE A 61 2.564 3.319 1.765 1.00 0.00 C ATOM 956 CD1 ILE A 61 4.746 3.186 -0.295 1.00 0.00 C ATOM 0 H ILE A 61 6.083 4.270 3.433 1.00 0.00 H new ATOM 0 HA ILE A 61 3.588 5.707 2.888 1.00 0.00 H new ATOM 0 HB ILE A 61 4.479 2.806 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.383 5.118 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.830 4.334 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.579 2.555 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.049 2.932 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.040 4.201 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.315 3.592 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.181 2.234 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.712 3.031 -0.601 1.00 0.00 H new ATOM 968 N SER A 62 1.996 4.398 4.546 1.00 0.00 N ATOM 969 CA SER A 62 1.133 3.871 5.608 1.00 0.00 C ATOM 970 C SER A 62 -0.108 3.258 4.931 1.00 0.00 C ATOM 971 O SER A 62 -1.113 3.947 4.711 1.00 0.00 O ATOM 972 CB SER A 62 0.741 4.990 6.616 1.00 0.00 C ATOM 973 OG SER A 62 1.887 5.600 7.199 1.00 0.00 O ATOM 0 H SER A 62 1.469 4.804 3.773 1.00 0.00 H new ATOM 0 HA SER A 62 1.657 3.110 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.146 5.747 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.114 4.568 7.402 1.00 0.00 H new ATOM 0 HG SER A 62 1.603 6.298 7.825 1.00 0.00 H new ATOM 979 N VAL A 63 0.003 1.973 4.528 1.00 0.00 N ATOM 980 CA VAL A 63 -1.077 1.270 3.802 1.00 0.00 C ATOM 981 C VAL A 63 -2.141 0.798 4.803 1.00 0.00 C ATOM 982 O VAL A 63 -1.848 -0.026 5.676 1.00 0.00 O ATOM 983 CB VAL A 63 -0.556 0.032 2.967 1.00 0.00 C ATOM 984 CG1 VAL A 63 -1.697 -0.607 2.127 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.628 0.423 2.069 1.00 0.00 C ATOM 0 H VAL A 63 0.831 1.401 4.694 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.500 1.980 3.092 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.206 -0.715 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.304 -1.455 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.491 -0.948 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.097 0.133 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.963 -0.450 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.316 1.203 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.446 0.793 2.687 1.00 0.00 H new ATOM 995 N ASP A 64 -3.349 1.367 4.687 1.00 0.00 N ATOM 996 CA ASP A 64 -4.519 0.993 5.499 1.00 0.00 C ATOM 997 C ASP A 64 -5.244 -0.172 4.810 1.00 0.00 C ATOM 998 O ASP A 64 -5.502 -0.110 3.603 1.00 0.00 O ATOM 999 CB ASP A 64 -5.507 2.201 5.659 1.00 0.00 C ATOM 1000 CG ASP A 64 -4.835 3.569 5.913 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -4.168 4.096 4.986 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -5.004 4.146 7.007 1.00 0.00 O ATOM 0 H ASP A 64 -3.545 2.111 4.017 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.179 0.700 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.115 2.274 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.186 1.988 6.485 1.00 0.00 H new ATOM 1007 N LYS A 65 -5.564 -1.233 5.563 1.00 0.00 N ATOM 1008 CA LYS A 65 -6.379 -2.361 5.058 1.00 0.00 C ATOM 1009 C LYS A 65 -7.825 -2.220 5.578 1.00 0.00 C ATOM 1010 O LYS A 65 -8.179 -1.204 6.182 1.00 0.00 O ATOM 1011 CB LYS A 65 -5.761 -3.730 5.489 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.890 -4.050 6.992 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.327 -5.431 7.378 1.00 0.00 C ATOM 1014 CE LYS A 65 -5.553 -5.751 8.866 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.001 -5.835 9.201 1.00 0.00 N ATOM 0 H LYS A 65 -5.270 -1.339 6.534 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.389 -2.335 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.241 -4.526 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.705 -3.738 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.370 -3.282 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.941 -4.003 7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.800 -6.199 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.260 -5.461 7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.068 -6.696 9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.082 -4.982 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.222 -5.158 9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.566 -5.607 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.228 -6.798 9.520 1.00 0.00 H new ATOM 1029 N GLU A 66 -8.663 -3.233 5.314 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.016 -3.334 5.889 1.00 0.00 C ATOM 1031 C GLU A 66 -9.942 -4.095 7.228 1.00 0.00 C ATOM 1032 O GLU A 66 -8.955 -4.792 7.489 1.00 0.00 O ATOM 1033 CB GLU A 66 -10.956 -4.053 4.892 1.00 0.00 C ATOM 1034 CG GLU A 66 -10.986 -3.426 3.480 1.00 0.00 C ATOM 1035 CD GLU A 66 -11.874 -4.192 2.479 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -11.689 -5.418 2.327 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -12.731 -3.563 1.812 1.00 0.00 O ATOM 0 H GLU A 66 -8.423 -4.007 4.695 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.418 -2.338 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.648 -5.095 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.967 -4.052 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.343 -2.399 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.969 -3.382 3.090 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.992 -3.976 8.057 1.00 0.00 N ATOM 1045 CA ASN A 67 -11.003 -4.513 9.438 1.00 0.00 C ATOM 1046 C ASN A 67 -10.774 -6.048 9.484 1.00 0.00 C ATOM 1047 O ASN A 67 -9.912 -6.525 10.234 1.00 0.00 O ATOM 1048 CB ASN A 67 -12.314 -4.110 10.185 1.00 0.00 C ATOM 1049 CG ASN A 67 -13.608 -4.633 9.542 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -13.698 -4.803 8.325 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -14.620 -4.895 10.358 1.00 0.00 N ATOM 0 H ASN A 67 -11.859 -3.506 7.794 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.160 -4.060 9.960 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.260 -4.478 11.210 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.365 -3.023 10.239 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.501 -5.247 9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.518 -4.745 11.362 1.00 0.00 H new ATOM 1058 N ASP A 68 -11.510 -6.802 8.646 1.00 0.00 N ATOM 1059 CA ASP A 68 -11.437 -8.286 8.604 1.00 0.00 C ATOM 1060 C ASP A 68 -10.226 -8.770 7.791 1.00 0.00 C ATOM 1061 O ASP A 68 -9.626 -9.805 8.121 1.00 0.00 O ATOM 1062 CB ASP A 68 -12.749 -8.864 8.009 1.00 0.00 C ATOM 1063 CG ASP A 68 -12.773 -10.407 7.929 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -12.990 -11.059 8.972 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -12.570 -10.970 6.828 1.00 0.00 O ATOM 0 H ASP A 68 -12.172 -6.407 7.978 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.314 -8.645 9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.590 -8.528 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.894 -8.456 7.009 1.00 0.00 H new ATOM 1070 N ALA A 69 -9.885 -7.994 6.740 1.00 0.00 N ATOM 1071 CA ALA A 69 -8.815 -8.318 5.767 1.00 0.00 C ATOM 1072 C ALA A 69 -7.482 -8.692 6.451 1.00 0.00 C ATOM 1073 O ALA A 69 -7.116 -8.096 7.456 1.00 0.00 O ATOM 1074 CB ALA A 69 -8.607 -7.129 4.821 1.00 0.00 C ATOM 0 H ALA A 69 -10.352 -7.110 6.539 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.138 -9.194 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.820 -7.367 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.534 -6.923 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.319 -6.251 5.399 1.00 0.00 H new ATOM 1080 N ASN A 70 -6.780 -9.687 5.897 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.506 -10.199 6.445 1.00 0.00 C ATOM 1082 C ASN A 70 -4.346 -9.820 5.530 1.00 0.00 C ATOM 1083 O ASN A 70 -4.415 -10.074 4.339 1.00 0.00 O ATOM 1084 CB ASN A 70 -5.564 -11.744 6.577 1.00 0.00 C ATOM 1085 CG ASN A 70 -6.528 -12.217 7.659 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -7.714 -12.414 7.408 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -6.026 -12.406 8.867 1.00 0.00 N ATOM 0 H ASN A 70 -7.078 -10.168 5.048 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.352 -9.754 7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.862 -12.173 5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.566 -12.121 6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.629 -12.725 9.626 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.036 -12.233 9.041 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.268 -9.249 6.102 1.00 0.00 N ATOM 1095 CA TRP A 71 -2.005 -8.975 5.374 1.00 0.00 C ATOM 1096 C TRP A 71 -1.364 -10.269 4.816 1.00 0.00 C ATOM 1097 O TRP A 71 -0.520 -10.205 3.922 1.00 0.00 O ATOM 1098 CB TRP A 71 -0.986 -8.240 6.279 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.373 -6.831 6.668 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -1.693 -6.374 7.918 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -1.459 -5.695 5.796 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -1.957 -5.032 7.874 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -1.829 -4.593 6.586 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -1.268 -5.503 4.426 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -1.993 -3.322 6.059 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -1.436 -4.238 3.901 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -1.800 -3.163 4.718 1.00 0.00 C ATOM 0 H TRP A 71 -3.244 -8.963 7.081 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.265 -8.332 4.533 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.843 -8.825 7.188 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.025 -8.208 5.766 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.731 -6.983 8.809 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.209 -4.452 8.674 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.994 -6.330 3.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.264 -2.487 6.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.284 -4.076 2.844 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.931 -2.186 4.278 1.00 0.00 H new ATOM 1118 N GLU A 72 -1.776 -11.431 5.357 1.00 0.00 N ATOM 1119 CA GLU A 72 -1.359 -12.756 4.858 1.00 0.00 C ATOM 1120 C GLU A 72 -1.712 -12.913 3.357 1.00 0.00 C ATOM 1121 O GLU A 72 -0.964 -13.537 2.598 1.00 0.00 O ATOM 1122 CB GLU A 72 -2.004 -13.907 5.699 1.00 0.00 C ATOM 1123 CG GLU A 72 -1.473 -14.060 7.149 1.00 0.00 C ATOM 1124 CD GLU A 72 -1.773 -12.858 8.065 1.00 0.00 C ATOM 1125 OE1 GLU A 72 -2.938 -12.701 8.492 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -0.857 -12.048 8.346 1.00 0.00 O ATOM 0 H GLU A 72 -2.409 -11.478 6.155 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.277 -12.827 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.081 -13.742 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.847 -14.849 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.909 -14.956 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.395 -14.215 7.114 1.00 0.00 H new ATOM 1133 N THR A 73 -2.856 -12.329 2.935 1.00 0.00 N ATOM 1134 CA THR A 73 -3.260 -12.282 1.512 1.00 0.00 C ATOM 1135 C THR A 73 -2.954 -10.889 0.895 1.00 0.00 C ATOM 1136 O THR A 73 -2.431 -10.804 -0.214 1.00 0.00 O ATOM 1137 CB THR A 73 -4.767 -12.692 1.290 1.00 0.00 C ATOM 1138 OG1 THR A 73 -5.079 -12.680 -0.116 1.00 0.00 O ATOM 1139 CG2 THR A 73 -5.767 -11.794 2.042 1.00 0.00 C ATOM 0 H THR A 73 -3.520 -11.880 3.566 1.00 0.00 H new ATOM 0 HA THR A 73 -2.661 -13.028 0.989 1.00 0.00 H new ATOM 0 HB THR A 73 -4.872 -13.697 1.700 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.016 -12.937 -0.245 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.783 -12.135 1.843 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.570 -11.847 3.113 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.657 -10.764 1.703 1.00 0.00 H new ATOM 1147 N VAL A 74 -3.250 -9.812 1.652 1.00 0.00 N ATOM 1148 CA VAL A 74 -3.229 -8.413 1.160 1.00 0.00 C ATOM 1149 C VAL A 74 -1.796 -7.878 0.885 1.00 0.00 C ATOM 1150 O VAL A 74 -1.568 -7.266 -0.163 1.00 0.00 O ATOM 1151 CB VAL A 74 -3.980 -7.467 2.181 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -3.889 -5.978 1.787 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -5.458 -7.895 2.347 1.00 0.00 C ATOM 0 H VAL A 74 -3.514 -9.887 2.634 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.748 -8.412 0.201 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.472 -7.576 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.421 -5.374 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.843 -5.673 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.338 -5.833 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.952 -7.229 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.963 -7.840 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.501 -8.918 2.721 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.845 -8.110 1.822 1.00 0.00 N ATOM 1164 CA LEU A 75 0.546 -7.582 1.708 1.00 0.00 C ATOM 1165 C LEU A 75 1.286 -8.107 0.438 1.00 0.00 C ATOM 1166 O LEU A 75 1.932 -7.296 -0.219 1.00 0.00 O ATOM 1167 CB LEU A 75 1.374 -7.838 3.008 1.00 0.00 C ATOM 1168 CG LEU A 75 2.898 -7.452 2.980 1.00 0.00 C ATOM 1169 CD1 LEU A 75 3.125 -5.979 2.552 1.00 0.00 C ATOM 1170 CD2 LEU A 75 3.578 -7.753 4.338 1.00 0.00 C ATOM 0 H LEU A 75 -1.011 -8.658 2.666 1.00 0.00 H new ATOM 0 HA LEU A 75 0.455 -6.502 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.902 -7.289 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.299 -8.898 3.253 1.00 0.00 H new ATOM 0 HG LEU A 75 3.368 -8.077 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.193 -5.762 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.720 -5.824 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.622 -5.314 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.631 -7.475 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.089 -7.179 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.494 -8.817 4.559 1.00 0.00 H new ATOM 1182 N PRO A 76 1.216 -9.435 0.053 1.00 0.00 N ATOM 1183 CA PRO A 76 1.734 -9.915 -1.261 1.00 0.00 C ATOM 1184 C PRO A 76 1.312 -9.041 -2.475 1.00 0.00 C ATOM 1185 O PRO A 76 2.083 -8.887 -3.416 1.00 0.00 O ATOM 1186 CB PRO A 76 1.139 -11.332 -1.368 1.00 0.00 C ATOM 1187 CG PRO A 76 1.064 -11.813 0.050 1.00 0.00 C ATOM 1188 CD PRO A 76 0.741 -10.587 0.885 1.00 0.00 C ATOM 0 HA PRO A 76 2.823 -9.876 -1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.154 -11.315 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.768 -11.982 -1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.295 -12.577 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.008 -12.261 0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.327 -10.516 1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.249 -10.617 1.849 1.00 0.00 H new ATOM 1196 N LYS A 77 0.089 -8.471 -2.427 1.00 0.00 N ATOM 1197 CA LYS A 77 -0.448 -7.603 -3.502 1.00 0.00 C ATOM 1198 C LYS A 77 0.208 -6.207 -3.469 1.00 0.00 C ATOM 1199 O LYS A 77 0.543 -5.647 -4.520 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.999 -7.479 -3.396 1.00 0.00 C ATOM 1201 CG LYS A 77 -2.797 -8.676 -3.970 1.00 0.00 C ATOM 1202 CD LYS A 77 -2.502 -10.016 -3.271 1.00 0.00 C ATOM 1203 CE LYS A 77 -3.247 -11.192 -3.917 1.00 0.00 C ATOM 1204 NZ LYS A 77 -2.849 -11.397 -5.336 1.00 0.00 N ATOM 0 H LYS A 77 -0.554 -8.598 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.205 -8.070 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.267 -7.354 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.311 -6.573 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.863 -8.462 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.572 -8.774 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.430 -10.209 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.784 -9.944 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.048 -12.102 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.321 -11.013 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.229 -12.303 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.227 -10.623 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.812 -11.409 -5.407 1.00 0.00 H new ATOM 1218 N VAL A 78 0.389 -5.661 -2.250 1.00 0.00 N ATOM 1219 CA VAL A 78 1.004 -4.334 -2.045 1.00 0.00 C ATOM 1220 C VAL A 78 2.482 -4.379 -2.509 1.00 0.00 C ATOM 1221 O VAL A 78 2.891 -3.678 -3.446 1.00 0.00 O ATOM 1222 CB VAL A 78 0.933 -3.890 -0.528 1.00 0.00 C ATOM 1223 CG1 VAL A 78 1.498 -2.464 -0.324 1.00 0.00 C ATOM 1224 CG2 VAL A 78 -0.507 -4.003 0.040 1.00 0.00 C ATOM 0 H VAL A 78 0.115 -6.125 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 78 0.448 -3.604 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 78 1.563 -4.581 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.432 -2.194 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.540 -2.437 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.920 -1.755 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.512 -3.689 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.176 -3.363 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.845 -5.037 -0.029 1.00 0.00 H new ATOM 1234 N GLU A 79 3.224 -5.304 -1.874 1.00 0.00 N ATOM 1235 CA GLU A 79 4.664 -5.520 -2.056 1.00 0.00 C ATOM 1236 C GLU A 79 5.024 -5.854 -3.516 1.00 0.00 C ATOM 1237 O GLU A 79 6.092 -5.470 -3.982 1.00 0.00 O ATOM 1238 CB GLU A 79 5.116 -6.651 -1.099 1.00 0.00 C ATOM 1239 CG GLU A 79 6.628 -6.937 -1.083 1.00 0.00 C ATOM 1240 CD GLU A 79 6.991 -8.085 -0.137 1.00 0.00 C ATOM 1241 OE1 GLU A 79 7.177 -7.839 1.074 1.00 0.00 O ATOM 1242 OE2 GLU A 79 7.052 -9.251 -0.592 1.00 0.00 O ATOM 0 H GLU A 79 2.817 -5.945 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 79 5.191 -4.596 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.801 -6.395 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.593 -7.567 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.960 -7.181 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.163 -6.037 -0.781 1.00 0.00 H new ATOM 1249 N ALA A 80 4.089 -6.522 -4.229 1.00 0.00 N ATOM 1250 CA ALA A 80 4.274 -6.986 -5.627 1.00 0.00 C ATOM 1251 C ALA A 80 4.720 -5.859 -6.578 1.00 0.00 C ATOM 1252 O ALA A 80 5.482 -6.107 -7.513 1.00 0.00 O ATOM 1253 CB ALA A 80 2.980 -7.625 -6.160 1.00 0.00 C ATOM 0 H ALA A 80 3.173 -6.758 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 80 5.072 -7.728 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.135 -7.959 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.712 -8.478 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.175 -6.891 -6.135 1.00 0.00 H new ATOM 1259 N VAL A 81 4.232 -4.628 -6.321 1.00 0.00 N ATOM 1260 CA VAL A 81 4.519 -3.453 -7.165 1.00 0.00 C ATOM 1261 C VAL A 81 5.952 -2.942 -6.923 1.00 0.00 C ATOM 1262 O VAL A 81 6.718 -2.710 -7.869 1.00 0.00 O ATOM 1263 CB VAL A 81 3.464 -2.314 -6.906 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.818 -1.009 -7.661 1.00 0.00 C ATOM 1265 CG2 VAL A 81 2.045 -2.812 -7.277 1.00 0.00 C ATOM 0 H VAL A 81 3.629 -4.422 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 81 4.443 -3.755 -8.209 1.00 0.00 H new ATOM 0 HB VAL A 81 3.485 -2.073 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.062 -0.252 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.793 -0.650 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.849 -1.206 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.321 -2.018 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.021 -3.090 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.793 -3.679 -6.667 1.00 0.00 H new ATOM 1275 N PHE A 82 6.297 -2.765 -5.642 1.00 0.00 N ATOM 1276 CA PHE A 82 7.641 -2.311 -5.218 1.00 0.00 C ATOM 1277 C PHE A 82 8.709 -3.396 -5.478 1.00 0.00 C ATOM 1278 O PHE A 82 9.892 -3.092 -5.669 1.00 0.00 O ATOM 1279 CB PHE A 82 7.605 -1.930 -3.718 1.00 0.00 C ATOM 1280 CG PHE A 82 6.418 -1.030 -3.377 1.00 0.00 C ATOM 1281 CD1 PHE A 82 6.426 0.323 -3.711 1.00 0.00 C ATOM 1282 CD2 PHE A 82 5.275 -1.553 -2.764 1.00 0.00 C ATOM 1283 CE1 PHE A 82 5.326 1.117 -3.451 1.00 0.00 C ATOM 1284 CE2 PHE A 82 4.179 -0.761 -2.516 1.00 0.00 C ATOM 1285 CZ PHE A 82 4.208 0.573 -2.849 1.00 0.00 C ATOM 0 H PHE A 82 5.657 -2.931 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 82 7.916 -1.436 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.555 -2.837 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.532 -1.422 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.300 0.754 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.253 -2.595 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.340 2.163 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.297 -1.186 -2.060 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.353 1.198 -2.639 1.00 0.00 H new ATOM 1295 N GLU A 83 8.265 -4.657 -5.515 1.00 0.00 N ATOM 1296 CA GLU A 83 9.138 -5.822 -5.672 1.00 0.00 C ATOM 1297 C GLU A 83 8.707 -6.625 -6.914 1.00 0.00 C ATOM 1298 O GLU A 83 8.001 -7.634 -6.813 1.00 0.00 O ATOM 1299 CB GLU A 83 9.112 -6.690 -4.376 1.00 0.00 C ATOM 1300 CG GLU A 83 10.211 -7.771 -4.293 1.00 0.00 C ATOM 1301 CD GLU A 83 11.629 -7.180 -4.195 1.00 0.00 C ATOM 1302 OE1 GLU A 83 12.055 -6.825 -3.074 1.00 0.00 O ATOM 1303 OE2 GLU A 83 12.330 -7.067 -5.230 1.00 0.00 O ATOM 0 H GLU A 83 7.277 -4.899 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 83 10.167 -5.497 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.206 -6.031 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.139 -7.176 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.026 -8.404 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.150 -8.412 -5.173 1.00 0.00 H new ATOM 1310 N LEU A 84 9.082 -6.109 -8.093 1.00 0.00 N ATOM 1311 CA LEU A 84 8.942 -6.804 -9.376 1.00 0.00 C ATOM 1312 C LEU A 84 10.158 -6.474 -10.244 1.00 0.00 C ATOM 1313 O LEU A 84 10.957 -5.583 -9.907 1.00 0.00 O ATOM 1314 CB LEU A 84 7.570 -6.474 -10.081 1.00 0.00 C ATOM 1315 CG LEU A 84 7.180 -4.965 -10.354 1.00 0.00 C ATOM 1316 CD1 LEU A 84 7.953 -4.342 -11.540 1.00 0.00 C ATOM 1317 CD2 LEU A 84 5.651 -4.818 -10.572 1.00 0.00 C ATOM 0 H LEU A 84 9.498 -5.182 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 84 8.917 -7.881 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.562 -6.992 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.777 -6.912 -9.475 1.00 0.00 H new ATOM 0 HG LEU A 84 7.471 -4.411 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.640 -3.307 -11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.023 -4.373 -11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.742 -4.906 -12.448 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.409 -3.772 -10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.346 -5.419 -11.429 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.122 -5.160 -9.683 1.00 0.00 H new ATOM 1329 N GLU A 85 10.298 -7.207 -11.345 1.00 0.00 N ATOM 1330 CA GLU A 85 11.348 -6.963 -12.342 1.00 0.00 C ATOM 1331 C GLU A 85 11.067 -5.627 -13.059 1.00 0.00 C ATOM 1332 O GLU A 85 10.211 -5.548 -13.947 1.00 0.00 O ATOM 1333 CB GLU A 85 11.426 -8.148 -13.347 1.00 0.00 C ATOM 1334 CG GLU A 85 12.507 -8.015 -14.443 1.00 0.00 C ATOM 1335 CD GLU A 85 13.938 -7.907 -13.884 1.00 0.00 C ATOM 1336 OE1 GLU A 85 14.577 -8.955 -13.651 1.00 0.00 O ATOM 1337 OE2 GLU A 85 14.433 -6.773 -13.679 1.00 0.00 O ATOM 0 H GLU A 85 9.687 -7.990 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 85 12.317 -6.893 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.610 -9.065 -12.788 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.455 -8.258 -13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.449 -8.878 -15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.294 -7.133 -15.047 1.00 0.00 H new ATOM 1344 N HIS A 86 11.748 -4.567 -12.600 1.00 0.00 N ATOM 1345 CA HIS A 86 11.568 -3.205 -13.120 1.00 0.00 C ATOM 1346 C HIS A 86 12.395 -2.992 -14.403 1.00 0.00 C ATOM 1347 O HIS A 86 13.625 -2.884 -14.350 1.00 0.00 O ATOM 1348 CB HIS A 86 11.945 -2.147 -12.039 1.00 0.00 C ATOM 1349 CG HIS A 86 10.939 -2.016 -10.913 1.00 0.00 C ATOM 1350 ND1 HIS A 86 10.977 -2.778 -9.760 1.00 0.00 N ATOM 1351 CD2 HIS A 86 9.861 -1.199 -10.775 1.00 0.00 C ATOM 1352 CE1 HIS A 86 9.973 -2.436 -8.972 1.00 0.00 C ATOM 1353 NE2 HIS A 86 9.284 -1.483 -9.563 1.00 0.00 N ATOM 0 H HIS A 86 12.442 -4.631 -11.855 1.00 0.00 H new ATOM 0 HA HIS A 86 10.515 -3.076 -13.371 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.915 -2.408 -11.615 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.060 -1.177 -12.522 1.00 0.00 H new ATOM 0 HD1 HIS A 86 11.673 -3.494 -9.550 1.00 0.00 H new ATOM 0 HD2 HIS A 86 9.521 -0.462 -11.488 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.755 -2.866 -8.006 1.00 0.00 H new ATOM 1362 N HIS A 87 11.701 -2.983 -15.558 1.00 0.00 N ATOM 1363 CA HIS A 87 12.253 -2.529 -16.854 1.00 0.00 C ATOM 1364 C HIS A 87 11.209 -1.650 -17.564 1.00 0.00 C ATOM 1365 O HIS A 87 10.003 -1.761 -17.301 1.00 0.00 O ATOM 1366 CB HIS A 87 12.663 -3.715 -17.774 1.00 0.00 C ATOM 1367 CG HIS A 87 13.873 -4.487 -17.309 1.00 0.00 C ATOM 1368 ND1 HIS A 87 15.151 -3.974 -17.347 1.00 0.00 N ATOM 1369 CD2 HIS A 87 13.993 -5.733 -16.800 1.00 0.00 C ATOM 1370 CE1 HIS A 87 15.997 -4.871 -16.882 1.00 0.00 C ATOM 1371 NE2 HIS A 87 15.321 -5.948 -16.542 1.00 0.00 N ATOM 0 H HIS A 87 10.731 -3.293 -15.620 1.00 0.00 H new ATOM 0 HA HIS A 87 13.158 -1.957 -16.651 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.820 -4.402 -17.855 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.858 -3.330 -18.775 1.00 0.00 H new ATOM 0 HD2 HIS A 87 13.188 -6.432 -16.628 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.066 -4.744 -16.795 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.720 -6.801 -16.151 1.00 0.00 H new ATOM 1380 N HIS A 88 11.691 -0.774 -18.459 1.00 0.00 N ATOM 1381 CA HIS A 88 10.840 0.116 -19.265 1.00 0.00 C ATOM 1382 C HIS A 88 10.213 -0.669 -20.437 1.00 0.00 C ATOM 1383 O HIS A 88 10.848 -1.561 -21.010 1.00 0.00 O ATOM 1384 CB HIS A 88 11.674 1.317 -19.782 1.00 0.00 C ATOM 1385 CG HIS A 88 10.884 2.343 -20.564 1.00 0.00 C ATOM 1386 ND1 HIS A 88 10.197 3.379 -19.965 1.00 0.00 N ATOM 1387 CD2 HIS A 88 10.672 2.486 -21.896 1.00 0.00 C ATOM 1388 CE1 HIS A 88 9.600 4.103 -20.889 1.00 0.00 C ATOM 1389 NE2 HIS A 88 9.875 3.582 -22.066 1.00 0.00 N ATOM 0 H HIS A 88 12.688 -0.662 -18.645 1.00 0.00 H new ATOM 0 HA HIS A 88 10.031 0.502 -18.644 1.00 0.00 H new ATOM 0 HB2 HIS A 88 12.142 1.810 -18.930 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.478 0.939 -20.413 1.00 0.00 H new ATOM 0 HD1 HIS A 88 10.158 3.557 -18.961 1.00 0.00 H new ATOM 0 HD2 HIS A 88 11.061 1.851 -22.678 1.00 0.00 H new ATOM 0 HE1 HIS A 88 8.989 4.976 -20.711 1.00 0.00 H new ATOM 1398 N HIS A 89 8.960 -0.321 -20.773 1.00 0.00 N ATOM 1399 CA HIS A 89 8.193 -0.951 -21.861 1.00 0.00 C ATOM 1400 C HIS A 89 7.739 0.130 -22.856 1.00 0.00 C ATOM 1401 O HIS A 89 7.026 1.066 -22.474 1.00 0.00 O ATOM 1402 CB HIS A 89 6.964 -1.706 -21.291 1.00 0.00 C ATOM 1403 CG HIS A 89 7.314 -2.810 -20.326 1.00 0.00 C ATOM 1404 ND1 HIS A 89 7.291 -2.644 -18.955 1.00 0.00 N ATOM 1405 CD2 HIS A 89 7.692 -4.096 -20.535 1.00 0.00 C ATOM 1406 CE1 HIS A 89 7.638 -3.772 -18.372 1.00 0.00 C ATOM 1407 NE2 HIS A 89 7.884 -4.666 -19.306 1.00 0.00 N ATOM 0 H HIS A 89 8.444 0.415 -20.291 1.00 0.00 H new ATOM 0 HA HIS A 89 8.828 -1.672 -22.375 1.00 0.00 H new ATOM 0 HB2 HIS A 89 6.313 -0.991 -20.788 1.00 0.00 H new ATOM 0 HB3 HIS A 89 6.394 -2.128 -22.119 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.818 -4.580 -21.492 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.709 -3.936 -17.307 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.172 -5.630 -19.140 1.00 0.00 H new ATOM 1416 N HIS A 90 8.173 0.005 -24.120 1.00 0.00 N ATOM 1417 CA HIS A 90 7.797 0.931 -25.201 1.00 0.00 C ATOM 1418 C HIS A 90 7.839 0.212 -26.552 1.00 0.00 C ATOM 1419 O HIS A 90 6.887 0.321 -27.338 1.00 0.00 O ATOM 1420 CB HIS A 90 8.739 2.163 -25.222 1.00 0.00 C ATOM 1421 CG HIS A 90 8.373 3.200 -26.257 1.00 0.00 C ATOM 1422 ND1 HIS A 90 7.348 4.104 -26.074 1.00 0.00 N ATOM 1423 CD2 HIS A 90 8.884 3.464 -27.488 1.00 0.00 C ATOM 1424 CE1 HIS A 90 7.242 4.869 -27.139 1.00 0.00 C ATOM 1425 NE2 HIS A 90 8.159 4.502 -28.010 1.00 0.00 N ATOM 0 H HIS A 90 8.797 -0.743 -24.422 1.00 0.00 H new ATOM 0 HA HIS A 90 6.781 1.278 -25.016 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.732 2.630 -24.237 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.759 1.825 -25.407 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.707 2.952 -27.965 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.524 5.664 -27.276 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.306 4.924 -28.927 1.00 0.00 H new ATOM 1434 N HIS A 91 8.961 -0.504 -26.794 1.00 0.00 N ATOM 1435 CA HIS A 91 9.284 -1.155 -28.085 1.00 0.00 C ATOM 1436 C HIS A 91 9.573 -0.077 -29.176 1.00 0.00 C ATOM 1437 O HIS A 91 10.757 0.247 -29.392 1.00 0.00 O ATOM 1438 CB HIS A 91 8.175 -2.164 -28.534 1.00 0.00 C ATOM 1439 CG HIS A 91 8.441 -2.813 -29.868 1.00 0.00 C ATOM 1440 ND1 HIS A 91 8.012 -2.268 -31.058 1.00 0.00 N ATOM 1441 CD2 HIS A 91 9.109 -3.943 -30.197 1.00 0.00 C ATOM 1442 CE1 HIS A 91 8.401 -3.030 -32.053 1.00 0.00 C ATOM 1443 NE2 HIS A 91 9.071 -4.054 -31.563 1.00 0.00 N ATOM 1444 OXT HIS A 91 8.619 0.457 -29.794 1.00 0.00 O ATOM 0 H HIS A 91 9.680 -0.648 -26.085 1.00 0.00 H new ATOM 0 HA HIS A 91 10.188 -1.747 -27.945 1.00 0.00 H new ATOM 0 HB2 HIS A 91 8.077 -2.941 -27.776 1.00 0.00 H new ATOM 0 HB3 HIS A 91 7.220 -1.641 -28.580 1.00 0.00 H new ATOM 0 HD2 HIS A 91 9.584 -4.629 -29.511 1.00 0.00 H new ATOM 0 HE1 HIS A 91 8.205 -2.848 -33.099 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.492 -4.805 -32.110 1.00 0.00 H new TER 1453 HIS A 91