USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1024 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 47 MET CE :methyl -141:sc= -6.53! (180deg=-8.3!) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -22.2! C(o=-30!,f=-37!) USER MOD Set 1.3: A 79 THR OG1 : rot -49:sc= -1.38! USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.68! C(o=-2.7!,f=-3.5!) USER MOD Set 3.1: A 15 GLN : amide:sc=-0.00824 X(o=-1.8,f=-2.2) USER MOD Set 3.2: A 60 ASN : amide:sc= -1.72! C(o=-1.8!,f=-2.6!) USER MOD Set 3.3: A 61 MET CE :methyl -154:sc= -0.0428 (180deg=-0.787) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0686) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.0888 (180deg=-0.761) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 174:sc= -0.208 USER MOD Single : A 27 GLN :FLIP amide:sc= 0.491 F(o=-0.11,f=0.49) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.584 K(o=-0.58,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 175:sc= -2.07 (180deg=-2.27) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= -4.96! C(o=-5!,f=-8.6!) USER MOD Single : A 53 HIS : no HE2:sc= -1.99! C(o=-2!,f=-3.5!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.226 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -149:sc= -0.0862 (180deg=-1.66!) USER MOD Single : A 71 GLN : amide:sc= -0.305 K(o=-0.3,f=-2.1!) USER MOD Single : A 76 ASN : amide:sc= -0.262 K(o=-0.26,f=-3.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -143:sc= -1.07 (180deg=-2.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 90 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.16) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.96! C(o=-3!,f=-4.2!) USER MOD Single : A 106 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.14) USER MOD Single : A 110 LYS NZ :NH3+ -139:sc= -0.605 (180deg=-2.76!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00717) USER MOD Single : A 117 MET CE :methyl -156:sc= -0.828 (180deg=-2.93!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.951 18.819 10.077 1.00 0.00 N ATOM 2 CA MET A 1 13.528 17.683 9.381 1.00 0.00 C ATOM 3 C MET A 1 13.132 17.686 7.902 1.00 0.00 C ATOM 4 O MET A 1 13.785 18.328 7.083 1.00 0.00 O ATOM 5 CB MET A 1 13.049 16.385 10.035 1.00 0.00 C ATOM 6 CG MET A 1 13.497 16.310 11.496 1.00 0.00 C ATOM 7 SD MET A 1 12.101 15.937 12.543 1.00 0.00 S ATOM 8 CE MET A 1 11.750 14.270 12.011 1.00 0.00 C ATOM 0 H1 MET A 1 13.607 19.143 10.816 1.00 0.00 H new ATOM 0 H2 MET A 1 12.783 19.591 9.401 1.00 0.00 H new ATOM 0 H3 MET A 1 12.050 18.538 10.513 1.00 0.00 H new ATOM 0 HA MET A 1 14.614 17.754 9.447 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.962 16.326 9.981 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.443 15.530 9.486 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.264 15.544 11.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.945 17.257 11.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.020 13.819 12.684 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.347 14.288 10.998 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.668 13.683 12.025 1.00 0.00 H new ATOM 18 N SER A 2 12.062 16.960 7.609 1.00 0.00 N ATOM 19 CA SER A 2 11.571 16.873 6.244 1.00 0.00 C ATOM 20 C SER A 2 10.045 16.766 6.244 1.00 0.00 C ATOM 21 O SER A 2 9.372 17.439 5.463 1.00 0.00 O ATOM 22 CB SER A 2 12.186 15.677 5.513 1.00 0.00 C ATOM 23 OG SER A 2 12.638 16.024 4.207 1.00 0.00 O ATOM 0 H SER A 2 11.523 16.428 8.292 1.00 0.00 H new ATOM 0 HA SER A 2 11.866 17.779 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.022 15.288 6.094 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.448 14.878 5.441 1.00 0.00 H new ATOM 0 HG SER A 2 13.025 15.235 3.774 1.00 0.00 H new ATOM 29 N LEU A 3 9.542 15.917 7.128 1.00 0.00 N ATOM 30 CA LEU A 3 8.108 15.714 7.239 1.00 0.00 C ATOM 31 C LEU A 3 7.757 15.367 8.687 1.00 0.00 C ATOM 32 O LEU A 3 8.084 14.284 9.167 1.00 0.00 O ATOM 33 CB LEU A 3 7.633 14.670 6.225 1.00 0.00 C ATOM 34 CG LEU A 3 6.546 15.127 5.251 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.509 16.003 5.958 1.00 0.00 C ATOM 36 CD2 LEU A 3 7.158 15.831 4.037 1.00 0.00 C ATOM 0 H LEU A 3 10.103 15.362 7.774 1.00 0.00 H new ATOM 0 HA LEU A 3 7.574 16.631 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.494 14.336 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.262 13.804 6.772 1.00 0.00 H new ATOM 0 HG LEU A 3 6.024 14.244 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.748 16.314 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.041 15.436 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.999 16.884 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.364 16.146 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.720 16.704 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.827 15.145 3.517 1.00 0.00 H new ATOM 48 N ALA A 4 7.095 16.309 9.344 1.00 0.00 N ATOM 49 CA ALA A 4 6.697 16.117 10.728 1.00 0.00 C ATOM 50 C ALA A 4 5.878 14.831 10.844 1.00 0.00 C ATOM 51 O ALA A 4 5.986 14.109 11.834 1.00 0.00 O ATOM 52 CB ALA A 4 5.924 17.347 11.211 1.00 0.00 C ATOM 0 H ALA A 4 6.825 17.207 8.943 1.00 0.00 H new ATOM 0 HA ALA A 4 7.572 16.009 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.625 17.204 12.249 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.560 18.229 11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.036 17.485 10.593 1.00 0.00 H new ATOM 58 N GLU A 5 5.075 14.583 9.819 1.00 0.00 N ATOM 59 CA GLU A 5 4.237 13.396 9.794 1.00 0.00 C ATOM 60 C GLU A 5 4.939 12.267 9.036 1.00 0.00 C ATOM 61 O GLU A 5 4.990 11.134 9.510 1.00 0.00 O ATOM 62 CB GLU A 5 2.871 13.702 9.179 1.00 0.00 C ATOM 63 CG GLU A 5 1.890 14.199 10.243 1.00 0.00 C ATOM 64 CD GLU A 5 0.613 14.745 9.599 1.00 0.00 C ATOM 65 OE1 GLU A 5 -0.301 13.923 9.368 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.580 15.969 9.354 1.00 0.00 O ATOM 0 H GLU A 5 4.987 15.184 9.000 1.00 0.00 H new ATOM 0 HA GLU A 5 4.071 13.070 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.980 14.456 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.473 12.806 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.639 13.383 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.361 14.978 10.842 1.00 0.00 H new ATOM 73 N LYS A 6 5.464 12.617 7.871 1.00 0.00 N ATOM 74 CA LYS A 6 6.160 11.648 7.042 1.00 0.00 C ATOM 75 C LYS A 6 5.364 10.342 7.014 1.00 0.00 C ATOM 76 O LYS A 6 5.918 9.278 6.743 1.00 0.00 O ATOM 77 CB LYS A 6 7.605 11.476 7.517 1.00 0.00 C ATOM 78 CG LYS A 6 7.682 10.509 8.700 1.00 0.00 C ATOM 79 CD LYS A 6 9.136 10.189 9.053 1.00 0.00 C ATOM 80 CE LYS A 6 9.516 8.782 8.587 1.00 0.00 C ATOM 81 NZ LYS A 6 9.595 7.858 9.741 1.00 0.00 N ATOM 0 H LYS A 6 5.421 13.559 7.481 1.00 0.00 H new ATOM 0 HA LYS A 6 6.226 12.004 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.219 11.103 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.014 12.444 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.182 10.946 9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.152 9.588 8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.796 10.921 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.279 10.270 10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.779 8.418 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.475 8.810 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.854 6.908 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.315 8.198 10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.671 7.818 10.218 1.00 0.00 H new ATOM 95 N ILE A 7 4.076 10.466 7.297 1.00 0.00 N ATOM 96 CA ILE A 7 3.197 9.308 7.307 1.00 0.00 C ATOM 97 C ILE A 7 2.011 9.566 6.375 1.00 0.00 C ATOM 98 O ILE A 7 1.007 10.143 6.789 1.00 0.00 O ATOM 99 CB ILE A 7 2.789 8.958 8.739 1.00 0.00 C ATOM 100 CG1 ILE A 7 1.843 7.755 8.761 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.188 10.172 9.451 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.627 6.442 8.742 1.00 0.00 C ATOM 0 H ILE A 7 3.619 11.350 7.521 1.00 0.00 H new ATOM 0 HA ILE A 7 3.718 8.430 6.925 1.00 0.00 H new ATOM 0 HB ILE A 7 3.686 8.673 9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.217 7.796 9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.175 7.797 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.907 9.895 10.467 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.924 10.975 9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.305 10.511 8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.932 5.603 8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.233 6.393 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.276 6.393 9.617 1.00 0.00 H new ATOM 114 N LYS A 8 2.167 9.126 5.136 1.00 0.00 N ATOM 115 CA LYS A 8 1.122 9.301 4.142 1.00 0.00 C ATOM 116 C LYS A 8 0.748 7.939 3.555 1.00 0.00 C ATOM 117 O LYS A 8 1.614 7.089 3.349 1.00 0.00 O ATOM 118 CB LYS A 8 1.548 10.328 3.091 1.00 0.00 C ATOM 119 CG LYS A 8 0.666 11.576 3.153 1.00 0.00 C ATOM 120 CD LYS A 8 1.444 12.820 2.718 1.00 0.00 C ATOM 121 CE LYS A 8 0.631 13.657 1.729 1.00 0.00 C ATOM 122 NZ LYS A 8 0.910 15.098 1.918 1.00 0.00 N ATOM 0 H LYS A 8 3.002 8.648 4.797 1.00 0.00 H new ATOM 0 HA LYS A 8 0.222 9.707 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.590 10.606 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.486 9.884 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.204 11.443 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.294 11.712 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.692 13.422 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.386 12.522 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.876 13.364 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.433 13.465 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.350 15.652 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.654 15.377 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.922 15.279 1.761 1.00 0.00 H new ATOM 136 N VAL A 9 -0.541 7.772 3.302 1.00 0.00 N ATOM 137 CA VAL A 9 -1.040 6.527 2.742 1.00 0.00 C ATOM 138 C VAL A 9 -1.363 6.732 1.260 1.00 0.00 C ATOM 139 O VAL A 9 -2.077 7.666 0.900 1.00 0.00 O ATOM 140 CB VAL A 9 -2.241 6.033 3.553 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.591 4.589 3.188 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.983 6.172 5.054 1.00 0.00 C ATOM 0 H VAL A 9 -1.256 8.479 3.474 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.280 5.748 2.804 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.097 6.659 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.447 4.262 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.837 4.531 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.738 3.944 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.851 5.814 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.109 5.582 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.804 7.219 5.297 1.00 0.00 H new ATOM 152 N LEU A 10 -0.821 5.842 0.442 1.00 0.00 N ATOM 153 CA LEU A 10 -1.042 5.913 -0.992 1.00 0.00 C ATOM 154 C LEU A 10 -1.938 4.751 -1.424 1.00 0.00 C ATOM 155 O LEU A 10 -1.564 3.588 -1.282 1.00 0.00 O ATOM 156 CB LEU A 10 0.293 5.970 -1.738 1.00 0.00 C ATOM 157 CG LEU A 10 0.278 5.458 -3.180 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.893 4.060 -3.271 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.136 5.501 -3.762 1.00 0.00 C ATOM 0 H LEU A 10 -0.230 5.068 0.745 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.565 6.833 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.639 7.003 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.026 5.391 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 10 0.895 6.122 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.870 3.719 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.925 4.093 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.322 3.370 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.119 5.132 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.796 4.874 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.503 6.527 -3.752 1.00 0.00 H new ATOM 171 N ILE A 11 -3.105 5.106 -1.943 1.00 0.00 N ATOM 172 CA ILE A 11 -4.058 4.107 -2.395 1.00 0.00 C ATOM 173 C ILE A 11 -4.613 4.520 -3.760 1.00 0.00 C ATOM 174 O ILE A 11 -5.354 5.496 -3.863 1.00 0.00 O ATOM 175 CB ILE A 11 -5.138 3.878 -1.336 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.111 5.056 -1.281 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.513 3.585 0.029 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.235 4.887 -2.306 1.00 0.00 C ATOM 0 H ILE A 11 -3.412 6.072 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.566 3.144 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.715 2.998 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.535 5.135 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.574 5.985 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.302 3.426 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.894 2.690 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.896 4.430 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.913 5.738 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.809 4.832 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.785 3.970 -2.095 1.00 0.00 H new ATOM 190 N VAL A 12 -4.233 3.756 -4.774 1.00 0.00 N ATOM 191 CA VAL A 12 -4.684 4.030 -6.128 1.00 0.00 C ATOM 192 C VAL A 12 -5.166 2.729 -6.773 1.00 0.00 C ATOM 193 O VAL A 12 -4.444 1.734 -6.786 1.00 0.00 O ATOM 194 CB VAL A 12 -3.569 4.714 -6.922 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.338 3.811 -7.029 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.062 5.135 -8.307 1.00 0.00 C ATOM 0 H VAL A 12 -3.618 2.947 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.528 4.720 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.277 5.615 -6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.561 4.321 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.966 3.583 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.609 2.885 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.250 5.619 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.394 4.255 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.893 5.832 -8.201 1.00 0.00 H new ATOM 206 N ASP A 13 -6.384 2.781 -7.294 1.00 0.00 N ATOM 207 CA ASP A 13 -6.970 1.619 -7.939 1.00 0.00 C ATOM 208 C ASP A 13 -7.721 2.064 -9.196 1.00 0.00 C ATOM 209 O ASP A 13 -8.347 3.124 -9.206 1.00 0.00 O ATOM 210 CB ASP A 13 -7.969 0.921 -7.014 1.00 0.00 C ATOM 211 CG ASP A 13 -7.344 0.179 -5.831 1.00 0.00 C ATOM 212 OD1 ASP A 13 -6.350 0.708 -5.290 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.876 -0.901 -5.494 1.00 0.00 O ATOM 0 H ASP A 13 -6.980 3.609 -7.282 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.164 0.928 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.667 1.665 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.552 0.212 -7.602 1.00 0.00 H new ATOM 218 N ASP A 14 -7.636 1.233 -10.223 1.00 0.00 N ATOM 219 CA ASP A 14 -8.299 1.528 -11.482 1.00 0.00 C ATOM 220 C ASP A 14 -9.792 1.748 -11.227 1.00 0.00 C ATOM 221 O ASP A 14 -10.370 2.722 -11.708 1.00 0.00 O ATOM 222 CB ASP A 14 -8.155 0.366 -12.466 1.00 0.00 C ATOM 223 CG ASP A 14 -8.047 0.774 -13.937 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.627 1.827 -14.278 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.388 0.023 -14.688 1.00 0.00 O ATOM 0 H ASP A 14 -7.118 0.355 -10.210 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.836 2.419 -11.906 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.269 -0.210 -12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.013 -0.297 -12.350 1.00 0.00 H new ATOM 230 N GLN A 15 -10.372 0.827 -10.471 1.00 0.00 N ATOM 231 CA GLN A 15 -11.787 0.909 -10.147 1.00 0.00 C ATOM 232 C GLN A 15 -11.996 1.769 -8.898 1.00 0.00 C ATOM 233 O GLN A 15 -11.223 1.686 -7.945 1.00 0.00 O ATOM 234 CB GLN A 15 -12.387 -0.485 -9.958 1.00 0.00 C ATOM 235 CG GLN A 15 -13.696 -0.628 -10.738 1.00 0.00 C ATOM 236 CD GLN A 15 -14.373 -1.965 -10.432 1.00 0.00 C ATOM 237 OE1 GLN A 15 -13.784 -3.028 -10.542 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.640 -1.854 -10.044 1.00 0.00 N ATOM 0 H GLN A 15 -9.889 0.021 -10.074 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.305 1.382 -10.982 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.675 -1.240 -10.293 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.569 -0.666 -8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.368 0.191 -10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.497 -0.554 -11.807 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.073 -0.933 -9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.179 -2.690 -9.817 1.00 0.00 H new ATOM 247 N VAL A 16 -13.045 2.578 -8.945 1.00 0.00 N ATOM 248 CA VAL A 16 -13.366 3.452 -7.830 1.00 0.00 C ATOM 249 C VAL A 16 -13.861 2.609 -6.652 1.00 0.00 C ATOM 250 O VAL A 16 -13.495 2.864 -5.505 1.00 0.00 O ATOM 251 CB VAL A 16 -14.375 4.514 -8.271 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.178 5.036 -7.077 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.680 5.660 -9.008 1.00 0.00 C ATOM 0 H VAL A 16 -13.683 2.646 -9.738 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.477 3.987 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.073 4.045 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.888 5.790 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.719 4.211 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.500 5.480 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.421 6.400 -9.310 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.949 6.127 -8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.175 5.271 -9.892 1.00 0.00 H new ATOM 263 N THR A 17 -14.684 1.623 -6.976 1.00 0.00 N ATOM 264 CA THR A 17 -15.232 0.741 -5.959 1.00 0.00 C ATOM 265 C THR A 17 -14.104 0.069 -5.173 1.00 0.00 C ATOM 266 O THR A 17 -14.227 -0.151 -3.969 1.00 0.00 O ATOM 267 CB THR A 17 -16.168 -0.251 -6.649 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.461 0.094 -6.160 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.958 -1.688 -6.166 1.00 0.00 C ATOM 0 H THR A 17 -14.985 1.415 -7.928 1.00 0.00 H new ATOM 0 HA THR A 17 -15.812 1.297 -5.222 1.00 0.00 H new ATOM 0 HB THR A 17 -16.015 -0.205 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.131 -0.500 -6.559 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.648 -2.352 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.933 -1.995 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.144 -1.742 -5.093 1.00 0.00 H new ATOM 277 N SER A 18 -13.031 -0.241 -5.886 1.00 0.00 N ATOM 278 CA SER A 18 -11.884 -0.885 -5.271 1.00 0.00 C ATOM 279 C SER A 18 -11.138 0.113 -4.382 1.00 0.00 C ATOM 280 O SER A 18 -10.956 -0.128 -3.190 1.00 0.00 O ATOM 281 CB SER A 18 -10.941 -1.459 -6.330 1.00 0.00 C ATOM 282 OG SER A 18 -11.652 -2.004 -7.438 1.00 0.00 O ATOM 0 H SER A 18 -12.932 -0.058 -6.885 1.00 0.00 H new ATOM 0 HA SER A 18 -12.244 -1.711 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.269 -0.675 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.320 -2.234 -5.881 1.00 0.00 H new ATOM 0 HG SER A 18 -11.017 -2.267 -8.137 1.00 0.00 H new ATOM 288 N ARG A 19 -10.727 1.213 -4.996 1.00 0.00 N ATOM 289 CA ARG A 19 -10.007 2.248 -4.277 1.00 0.00 C ATOM 290 C ARG A 19 -10.896 2.859 -3.193 1.00 0.00 C ATOM 291 O ARG A 19 -10.401 3.335 -2.172 1.00 0.00 O ATOM 292 CB ARG A 19 -9.537 3.354 -5.224 1.00 0.00 C ATOM 293 CG ARG A 19 -9.759 4.736 -4.608 1.00 0.00 C ATOM 294 CD ARG A 19 -11.224 5.161 -4.725 1.00 0.00 C ATOM 295 NE ARG A 19 -11.308 6.568 -5.175 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.882 7.614 -4.455 1.00 0.00 C ATOM 297 NH1 ARG A 19 -10.342 7.419 -3.244 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.999 8.856 -4.943 1.00 0.00 N ATOM 0 H ARG A 19 -10.880 1.409 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.134 1.784 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.479 3.219 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.076 3.282 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.464 4.722 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.124 5.467 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.744 4.513 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.722 5.048 -3.762 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.716 6.753 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.255 6.474 -2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.018 8.216 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.413 9.005 -5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.674 9.652 -4.394 1.00 0.00 H new ATOM 312 N LEU A 20 -12.195 2.826 -3.451 1.00 0.00 N ATOM 313 CA LEU A 20 -13.159 3.370 -2.509 1.00 0.00 C ATOM 314 C LEU A 20 -13.278 2.431 -1.306 1.00 0.00 C ATOM 315 O LEU A 20 -13.271 2.880 -0.161 1.00 0.00 O ATOM 316 CB LEU A 20 -14.492 3.647 -3.207 1.00 0.00 C ATOM 317 CG LEU A 20 -15.666 4.003 -2.293 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.525 5.111 -2.909 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.492 2.762 -1.950 1.00 0.00 C ATOM 0 H LEU A 20 -12.603 2.431 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.818 4.333 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.347 4.464 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.764 2.767 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.263 4.390 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.352 5.345 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.916 6.003 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.919 4.775 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.320 3.044 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.885 2.322 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.861 2.035 -1.439 1.00 0.00 H new ATOM 331 N LEU A 21 -13.383 1.146 -1.609 1.00 0.00 N ATOM 332 CA LEU A 21 -13.503 0.141 -0.566 1.00 0.00 C ATOM 333 C LEU A 21 -12.271 0.201 0.340 1.00 0.00 C ATOM 334 O LEU A 21 -12.396 0.368 1.551 1.00 0.00 O ATOM 335 CB LEU A 21 -13.748 -1.239 -1.179 1.00 0.00 C ATOM 336 CG LEU A 21 -15.161 -1.499 -1.708 1.00 0.00 C ATOM 337 CD1 LEU A 21 -15.150 -2.566 -2.803 1.00 0.00 C ATOM 338 CD2 LEU A 21 -16.115 -1.858 -0.566 1.00 0.00 C ATOM 0 H LEU A 21 -13.388 0.778 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.370 0.345 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.043 -1.381 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.519 -1.994 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.531 -0.579 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.166 -2.731 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.524 -2.232 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.752 -3.497 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.112 -2.038 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.759 -2.757 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.154 -1.035 0.147 1.00 0.00 H new ATOM 350 N LEU A 22 -11.111 0.062 -0.284 1.00 0.00 N ATOM 351 CA LEU A 22 -9.857 0.099 0.450 1.00 0.00 C ATOM 352 C LEU A 22 -9.766 1.413 1.229 1.00 0.00 C ATOM 353 O LEU A 22 -9.459 1.414 2.419 1.00 0.00 O ATOM 354 CB LEU A 22 -8.676 -0.142 -0.492 1.00 0.00 C ATOM 355 CG LEU A 22 -8.664 0.689 -1.777 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.877 1.987 -1.583 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.135 -0.131 -2.955 1.00 0.00 C ATOM 0 H LEU A 22 -11.013 -0.076 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.820 -0.709 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.754 0.057 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.664 -1.197 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.691 0.967 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.884 2.559 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.337 2.576 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.848 1.751 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.137 0.483 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.118 -0.460 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.773 -1.002 -3.108 1.00 0.00 H new ATOM 369 N GLY A 23 -10.037 2.501 0.523 1.00 0.00 N ATOM 370 CA GLY A 23 -9.989 3.820 1.132 1.00 0.00 C ATOM 371 C GLY A 23 -11.042 3.953 2.233 1.00 0.00 C ATOM 372 O GLY A 23 -10.851 4.698 3.194 1.00 0.00 O ATOM 0 H GLY A 23 -10.291 2.496 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.997 3.996 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.155 4.582 0.371 1.00 0.00 H new ATOM 376 N ASP A 24 -12.133 3.220 2.057 1.00 0.00 N ATOM 377 CA ASP A 24 -13.217 3.247 3.025 1.00 0.00 C ATOM 378 C ASP A 24 -12.819 2.427 4.253 1.00 0.00 C ATOM 379 O ASP A 24 -12.973 2.883 5.385 1.00 0.00 O ATOM 380 CB ASP A 24 -14.492 2.637 2.440 1.00 0.00 C ATOM 381 CG ASP A 24 -15.747 2.816 3.296 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.879 3.910 3.887 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.545 1.855 3.342 1.00 0.00 O ATOM 0 H ASP A 24 -12.289 2.604 1.259 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.405 4.287 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.672 3.080 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.327 1.571 2.282 1.00 0.00 H new ATOM 388 N ALA A 25 -12.317 1.229 3.988 1.00 0.00 N ATOM 389 CA ALA A 25 -11.896 0.342 5.058 1.00 0.00 C ATOM 390 C ALA A 25 -10.807 1.026 5.886 1.00 0.00 C ATOM 391 O ALA A 25 -10.874 1.044 7.114 1.00 0.00 O ATOM 392 CB ALA A 25 -11.427 -0.988 4.463 1.00 0.00 C ATOM 0 H ALA A 25 -12.193 0.853 3.048 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.729 0.126 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.111 -1.654 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.246 -1.448 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.590 -0.810 3.788 1.00 0.00 H new ATOM 398 N LEU A 26 -9.828 1.574 5.180 1.00 0.00 N ATOM 399 CA LEU A 26 -8.726 2.258 5.834 1.00 0.00 C ATOM 400 C LEU A 26 -9.228 3.580 6.420 1.00 0.00 C ATOM 401 O LEU A 26 -8.665 4.086 7.391 1.00 0.00 O ATOM 402 CB LEU A 26 -7.549 2.421 4.871 1.00 0.00 C ATOM 403 CG LEU A 26 -6.491 1.316 4.913 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.122 -0.057 4.673 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.356 1.606 3.928 1.00 0.00 C ATOM 0 H LEU A 26 -9.776 1.558 4.161 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.348 1.663 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.941 2.483 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.061 3.372 5.083 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.054 1.299 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.348 -0.824 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.865 -0.256 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.602 -0.071 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.618 0.806 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.758 1.666 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.883 2.553 4.187 1.00 0.00 H new ATOM 417 N GLN A 27 -10.281 4.100 5.807 1.00 0.00 N ATOM 418 CA GLN A 27 -10.865 5.353 6.256 1.00 0.00 C ATOM 419 C GLN A 27 -11.363 5.220 7.697 1.00 0.00 C ATOM 420 O GLN A 27 -11.064 6.063 8.540 1.00 0.00 O ATOM 421 CB GLN A 27 -11.995 5.796 5.324 1.00 0.00 C ATOM 422 CG GLN A 27 -11.520 6.893 4.370 1.00 0.00 C ATOM 423 CD GLN A 27 -11.950 8.276 4.867 1.00 0.00 C ATOM 424 OE1 GLN A 27 -13.269 8.442 4.928 1.00 0.00 O flip ATOM 425 NE2 GLN A 27 -11.140 9.134 5.174 1.00 0.00 N flip ATOM 0 H GLN A 27 -10.745 3.677 5.003 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.093 6.122 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.355 4.941 4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.836 6.161 5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.434 6.856 4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.929 6.717 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.141 8.941 5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.461 10.045 5.501 1.00 0.00 H new ATOM 434 N GLN A 28 -12.113 4.154 7.934 1.00 0.00 N ATOM 435 CA GLN A 28 -12.654 3.901 9.258 1.00 0.00 C ATOM 436 C GLN A 28 -11.523 3.634 10.252 1.00 0.00 C ATOM 437 O GLN A 28 -11.742 3.638 11.464 1.00 0.00 O ATOM 438 CB GLN A 28 -13.646 2.735 9.231 1.00 0.00 C ATOM 439 CG GLN A 28 -15.004 3.158 9.797 1.00 0.00 C ATOM 440 CD GLN A 28 -15.999 1.996 9.758 1.00 0.00 C ATOM 441 OE1 GLN A 28 -16.401 1.455 10.774 1.00 0.00 O ATOM 442 NE2 GLN A 28 -16.372 1.645 8.530 1.00 0.00 N ATOM 0 H GLN A 28 -12.359 3.456 7.232 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.195 4.789 9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.769 2.381 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.250 1.902 9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.883 3.504 10.824 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.396 3.997 9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.996 2.141 7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.034 0.880 8.397 1.00 0.00 H new ATOM 451 N LEU A 29 -10.338 3.409 9.705 1.00 0.00 N ATOM 452 CA LEU A 29 -9.171 3.142 10.529 1.00 0.00 C ATOM 453 C LEU A 29 -8.420 4.450 10.782 1.00 0.00 C ATOM 454 O LEU A 29 -7.545 4.511 11.644 1.00 0.00 O ATOM 455 CB LEU A 29 -8.307 2.049 9.896 1.00 0.00 C ATOM 456 CG LEU A 29 -6.809 2.344 9.808 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.144 2.217 11.180 1.00 0.00 C ATOM 458 CD2 LEU A 29 -6.135 1.457 8.760 1.00 0.00 C ATOM 0 H LEU A 29 -10.160 3.406 8.701 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.473 2.754 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.443 1.130 10.467 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.679 1.857 8.890 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.683 3.377 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.079 2.432 11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.600 2.925 11.872 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.279 1.203 11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.071 1.688 8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.269 0.409 9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.585 1.641 7.784 1.00 0.00 H new ATOM 470 N GLY A 30 -8.788 5.465 10.013 1.00 0.00 N ATOM 471 CA GLY A 30 -8.159 6.768 10.144 1.00 0.00 C ATOM 472 C GLY A 30 -6.695 6.717 9.701 1.00 0.00 C ATOM 473 O GLY A 30 -5.859 7.452 10.226 1.00 0.00 O ATOM 0 H GLY A 30 -9.513 5.411 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.699 7.499 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.218 7.102 11.180 1.00 0.00 H new ATOM 477 N PHE A 31 -6.429 5.843 8.741 1.00 0.00 N ATOM 478 CA PHE A 31 -5.081 5.687 8.224 1.00 0.00 C ATOM 479 C PHE A 31 -4.220 6.905 8.561 1.00 0.00 C ATOM 480 O PHE A 31 -3.755 7.049 9.690 1.00 0.00 O ATOM 481 CB PHE A 31 -5.197 5.564 6.703 1.00 0.00 C ATOM 482 CG PHE A 31 -6.170 6.563 6.071 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.439 6.671 6.547 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.765 7.341 5.032 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.341 7.598 5.961 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.667 8.268 4.445 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.936 8.376 4.922 1.00 0.00 C ATOM 0 H PHE A 31 -7.125 5.236 8.308 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.611 4.810 8.669 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.210 5.704 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.518 4.552 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.761 6.052 7.371 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.757 7.254 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.348 7.685 6.340 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.345 8.887 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.622 9.080 4.475 1.00 0.00 H new ATOM 497 N LYS A 32 -4.033 7.753 7.559 1.00 0.00 N ATOM 498 CA LYS A 32 -3.235 8.955 7.735 1.00 0.00 C ATOM 499 C LYS A 32 -3.533 9.931 6.595 1.00 0.00 C ATOM 500 O LYS A 32 -3.904 11.079 6.836 1.00 0.00 O ATOM 501 CB LYS A 32 -1.753 8.600 7.869 1.00 0.00 C ATOM 502 CG LYS A 32 -1.063 9.504 8.893 1.00 0.00 C ATOM 503 CD LYS A 32 -1.253 8.967 10.313 1.00 0.00 C ATOM 504 CE LYS A 32 -2.411 9.677 11.018 1.00 0.00 C ATOM 505 NZ LYS A 32 -2.091 9.900 12.446 1.00 0.00 N ATOM 0 H LYS A 32 -4.420 7.631 6.623 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.503 9.458 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.651 7.558 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.262 8.700 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.001 9.572 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.469 10.513 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.447 7.895 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.335 9.106 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.611 10.631 10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.318 9.079 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.887 10.383 12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.923 8.985 12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.237 10.489 12.523 1.00 0.00 H new ATOM 519 N GLN A 33 -3.360 9.439 5.378 1.00 0.00 N ATOM 520 CA GLN A 33 -3.605 10.253 4.199 1.00 0.00 C ATOM 521 C GLN A 33 -3.842 9.362 2.978 1.00 0.00 C ATOM 522 O GLN A 33 -3.017 8.508 2.658 1.00 0.00 O ATOM 523 CB GLN A 33 -2.449 11.224 3.953 1.00 0.00 C ATOM 524 CG GLN A 33 -2.867 12.664 4.256 1.00 0.00 C ATOM 525 CD GLN A 33 -2.430 13.610 3.135 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.633 13.356 1.959 1.00 0.00 O ATOM 527 NE2 GLN A 33 -1.819 14.711 3.565 1.00 0.00 N ATOM 0 H GLN A 33 -3.053 8.486 5.182 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.503 10.846 4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.600 10.949 4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.120 11.148 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.949 12.714 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.425 12.984 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.682 14.861 4.565 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.488 15.405 2.895 1.00 0.00 H new ATOM 536 N ILE A 34 -4.974 9.591 2.329 1.00 0.00 N ATOM 537 CA ILE A 34 -5.331 8.820 1.150 1.00 0.00 C ATOM 538 C ILE A 34 -4.905 9.587 -0.104 1.00 0.00 C ATOM 539 O ILE A 34 -5.463 10.639 -0.411 1.00 0.00 O ATOM 540 CB ILE A 34 -6.817 8.459 1.175 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.658 9.633 1.681 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.060 7.188 1.990 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.981 9.729 0.919 1.00 0.00 C ATOM 0 H ILE A 34 -5.656 10.300 2.597 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.797 7.870 1.140 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.134 8.251 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.856 9.511 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.099 10.562 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.125 6.954 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.507 6.360 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.721 7.342 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.559 10.572 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.780 9.876 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.548 8.808 1.057 1.00 0.00 H new ATOM 555 N THR A 35 -3.920 9.031 -0.792 1.00 0.00 N ATOM 556 CA THR A 35 -3.412 9.649 -2.005 1.00 0.00 C ATOM 557 C THR A 35 -3.506 8.673 -3.181 1.00 0.00 C ATOM 558 O THR A 35 -2.856 7.628 -3.177 1.00 0.00 O ATOM 559 CB THR A 35 -1.988 10.133 -1.729 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.133 11.534 -1.510 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.088 10.040 -2.964 1.00 0.00 C ATOM 0 H THR A 35 -3.459 8.159 -0.533 1.00 0.00 H new ATOM 0 HA THR A 35 -4.014 10.512 -2.291 1.00 0.00 H new ATOM 0 HB THR A 35 -1.556 9.545 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.256 11.928 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.089 10.396 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.032 9.003 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.502 10.655 -3.763 1.00 0.00 H new ATOM 569 N ALA A 36 -4.318 9.050 -4.157 1.00 0.00 N ATOM 570 CA ALA A 36 -4.506 8.220 -5.336 1.00 0.00 C ATOM 571 C ALA A 36 -4.187 9.042 -6.587 1.00 0.00 C ATOM 572 O ALA A 36 -4.528 10.221 -6.664 1.00 0.00 O ATOM 573 CB ALA A 36 -5.931 7.666 -5.350 1.00 0.00 C ATOM 0 H ALA A 36 -4.853 9.918 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.827 7.368 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.071 7.044 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.097 7.067 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.642 8.492 -5.371 1.00 0.00 H new ATOM 579 N ALA A 37 -3.536 8.385 -7.537 1.00 0.00 N ATOM 580 CA ALA A 37 -3.167 9.041 -8.780 1.00 0.00 C ATOM 581 C ALA A 37 -3.164 8.010 -9.912 1.00 0.00 C ATOM 582 O ALA A 37 -2.574 6.940 -9.780 1.00 0.00 O ATOM 583 CB ALA A 37 -1.810 9.728 -8.613 1.00 0.00 C ATOM 0 H ALA A 37 -3.255 7.407 -7.471 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.892 9.813 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.534 10.220 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.873 10.470 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.055 8.985 -8.357 1.00 0.00 H new ATOM 589 N GLY A 38 -3.831 8.372 -10.999 1.00 0.00 N ATOM 590 CA GLY A 38 -3.912 7.493 -12.153 1.00 0.00 C ATOM 591 C GLY A 38 -3.921 6.024 -11.724 1.00 0.00 C ATOM 592 O GLY A 38 -4.982 5.450 -11.484 1.00 0.00 O ATOM 0 H GLY A 38 -4.320 9.261 -11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.815 7.715 -12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.066 7.677 -12.815 1.00 0.00 H new ATOM 596 N ASP A 39 -2.726 5.458 -11.641 1.00 0.00 N ATOM 597 CA ASP A 39 -2.583 4.066 -11.245 1.00 0.00 C ATOM 598 C ASP A 39 -1.291 3.899 -10.444 1.00 0.00 C ATOM 599 O ASP A 39 -0.636 4.883 -10.101 1.00 0.00 O ATOM 600 CB ASP A 39 -2.503 3.152 -12.468 1.00 0.00 C ATOM 601 CG ASP A 39 -3.677 2.183 -12.629 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.336 1.915 -11.602 1.00 0.00 O ATOM 603 OD2 ASP A 39 -3.887 1.733 -13.776 1.00 0.00 O ATOM 0 H ASP A 39 -1.848 5.937 -11.841 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.453 3.794 -10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.438 3.772 -13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.580 2.575 -12.412 1.00 0.00 H new ATOM 608 N GLY A 40 -0.961 2.646 -10.168 1.00 0.00 N ATOM 609 CA GLY A 40 0.242 2.337 -9.414 1.00 0.00 C ATOM 610 C GLY A 40 1.404 3.234 -9.844 1.00 0.00 C ATOM 611 O GLY A 40 2.128 3.764 -9.002 1.00 0.00 O ATOM 0 H GLY A 40 -1.506 1.832 -10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.052 2.468 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.511 1.291 -9.563 1.00 0.00 H new ATOM 615 N GLU A 41 1.547 3.378 -11.153 1.00 0.00 N ATOM 616 CA GLU A 41 2.609 4.203 -11.705 1.00 0.00 C ATOM 617 C GLU A 41 2.380 5.672 -11.347 1.00 0.00 C ATOM 618 O GLU A 41 3.251 6.316 -10.765 1.00 0.00 O ATOM 619 CB GLU A 41 2.716 4.017 -13.219 1.00 0.00 C ATOM 620 CG GLU A 41 3.674 2.875 -13.565 1.00 0.00 C ATOM 621 CD GLU A 41 4.245 3.047 -14.974 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.722 3.924 -15.697 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.193 2.298 -15.298 1.00 0.00 O ATOM 0 H GLU A 41 0.945 2.937 -11.848 1.00 0.00 H new ATOM 0 HA GLU A 41 3.555 3.886 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.730 3.808 -13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.065 4.941 -13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.487 2.846 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.150 1.922 -13.495 1.00 0.00 H new ATOM 630 N GLN A 42 1.203 6.160 -11.711 1.00 0.00 N ATOM 631 CA GLN A 42 0.848 7.543 -11.436 1.00 0.00 C ATOM 632 C GLN A 42 0.867 7.805 -9.928 1.00 0.00 C ATOM 633 O GLN A 42 1.397 8.818 -9.477 1.00 0.00 O ATOM 634 CB GLN A 42 -0.516 7.888 -12.036 1.00 0.00 C ATOM 635 CG GLN A 42 -0.530 9.320 -12.578 1.00 0.00 C ATOM 636 CD GLN A 42 -1.082 9.361 -14.004 1.00 0.00 C ATOM 637 OE1 GLN A 42 -1.559 8.375 -14.541 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.993 10.554 -14.583 1.00 0.00 N ATOM 0 H GLN A 42 0.483 5.623 -12.194 1.00 0.00 H new ATOM 0 HA GLN A 42 1.589 8.189 -11.907 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.752 7.189 -12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.290 7.775 -11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.138 9.952 -11.931 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.481 9.728 -12.564 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.582 11.338 -14.076 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.336 10.686 -15.535 1.00 0.00 H new ATOM 647 N GLY A 43 0.278 6.875 -9.191 1.00 0.00 N ATOM 648 CA GLY A 43 0.221 6.992 -7.743 1.00 0.00 C ATOM 649 C GLY A 43 1.609 6.828 -7.123 1.00 0.00 C ATOM 650 O GLY A 43 1.873 7.340 -6.037 1.00 0.00 O ATOM 0 H GLY A 43 -0.164 6.037 -9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.191 7.964 -7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.452 6.236 -7.340 1.00 0.00 H new ATOM 654 N MET A 44 2.463 6.112 -7.843 1.00 0.00 N ATOM 655 CA MET A 44 3.818 5.874 -7.377 1.00 0.00 C ATOM 656 C MET A 44 4.634 7.169 -7.378 1.00 0.00 C ATOM 657 O MET A 44 5.261 7.512 -6.378 1.00 0.00 O ATOM 658 CB MET A 44 4.495 4.842 -8.282 1.00 0.00 C ATOM 659 CG MET A 44 6.012 4.855 -8.086 1.00 0.00 C ATOM 660 SD MET A 44 6.405 4.749 -6.348 1.00 0.00 S ATOM 661 CE MET A 44 8.078 5.370 -6.369 1.00 0.00 C ATOM 0 H MET A 44 2.242 5.690 -8.745 1.00 0.00 H new ATOM 0 HA MET A 44 3.770 5.498 -6.355 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.105 3.848 -8.062 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.257 5.055 -9.324 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.463 4.019 -8.621 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.433 5.768 -8.507 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.447 5.455 -5.347 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.714 4.684 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.096 6.351 -6.844 1.00 0.00 H new ATOM 671 N LYS A 45 4.598 7.852 -8.513 1.00 0.00 N ATOM 672 CA LYS A 45 5.326 9.101 -8.658 1.00 0.00 C ATOM 673 C LYS A 45 4.646 10.182 -7.816 1.00 0.00 C ATOM 674 O LYS A 45 5.306 11.095 -7.321 1.00 0.00 O ATOM 675 CB LYS A 45 5.467 9.470 -10.135 1.00 0.00 C ATOM 676 CG LYS A 45 4.112 9.843 -10.741 1.00 0.00 C ATOM 677 CD LYS A 45 4.086 9.559 -12.244 1.00 0.00 C ATOM 678 CE LYS A 45 3.598 10.782 -13.024 1.00 0.00 C ATOM 679 NZ LYS A 45 4.703 11.750 -13.213 1.00 0.00 N ATOM 0 H LYS A 45 4.076 7.564 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 45 6.343 8.996 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.158 10.306 -10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.896 8.631 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.321 9.279 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.909 10.899 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.084 9.282 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.433 8.710 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.209 10.471 -13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.777 11.258 -12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.356 12.574 -13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.056 12.060 -12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.475 11.297 -13.743 1.00 0.00 H new ATOM 693 N ILE A 46 3.335 10.046 -7.681 1.00 0.00 N ATOM 694 CA ILE A 46 2.558 11.000 -6.908 1.00 0.00 C ATOM 695 C ILE A 46 2.844 10.797 -5.418 1.00 0.00 C ATOM 696 O ILE A 46 2.880 11.759 -4.652 1.00 0.00 O ATOM 697 CB ILE A 46 1.075 10.902 -7.268 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.729 11.834 -8.431 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.195 11.160 -6.044 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.393 11.364 -9.726 1.00 0.00 C ATOM 0 H ILE A 46 2.791 9.289 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 46 2.855 12.020 -7.154 1.00 0.00 H new ATOM 0 HB ILE A 46 0.872 9.884 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.352 11.869 -8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.054 12.848 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.855 11.084 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.417 10.421 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.395 12.159 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.131 12.044 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.475 11.353 -9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.047 10.359 -9.969 1.00 0.00 H new ATOM 712 N MET A 47 3.042 9.538 -5.053 1.00 0.00 N ATOM 713 CA MET A 47 3.324 9.197 -3.669 1.00 0.00 C ATOM 714 C MET A 47 4.781 9.502 -3.316 1.00 0.00 C ATOM 715 O MET A 47 5.060 10.090 -2.271 1.00 0.00 O ATOM 716 CB MET A 47 3.045 7.709 -3.444 1.00 0.00 C ATOM 717 CG MET A 47 4.025 7.115 -2.430 1.00 0.00 C ATOM 718 SD MET A 47 5.383 6.330 -3.283 1.00 0.00 S ATOM 719 CE MET A 47 4.659 4.732 -3.613 1.00 0.00 C ATOM 0 H MET A 47 3.013 8.743 -5.691 1.00 0.00 H new ATOM 0 HA MET A 47 2.680 9.798 -3.027 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.023 7.577 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.125 7.173 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.402 7.899 -1.773 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.513 6.389 -1.799 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.413 3.956 -3.477 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.832 4.558 -2.925 1.00 0.00 H new ATOM 0 HE3 MET A 47 4.290 4.704 -4.638 1.00 0.00 H new ATOM 729 N ALA A 48 5.672 9.088 -4.204 1.00 0.00 N ATOM 730 CA ALA A 48 7.094 9.310 -3.999 1.00 0.00 C ATOM 731 C ALA A 48 7.371 10.815 -3.967 1.00 0.00 C ATOM 732 O ALA A 48 8.137 11.290 -3.132 1.00 0.00 O ATOM 733 CB ALA A 48 7.886 8.594 -5.094 1.00 0.00 C ATOM 0 H ALA A 48 5.437 8.600 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 48 7.413 8.896 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.952 8.761 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.676 7.525 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.595 8.985 -6.069 1.00 0.00 H new ATOM 739 N GLN A 49 6.732 11.522 -4.888 1.00 0.00 N ATOM 740 CA GLN A 49 6.901 12.962 -4.976 1.00 0.00 C ATOM 741 C GLN A 49 6.608 13.615 -3.624 1.00 0.00 C ATOM 742 O GLN A 49 7.019 14.747 -3.375 1.00 0.00 O ATOM 743 CB GLN A 49 6.013 13.552 -6.074 1.00 0.00 C ATOM 744 CG GLN A 49 6.782 13.687 -7.389 1.00 0.00 C ATOM 745 CD GLN A 49 7.674 14.930 -7.377 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.919 15.540 -6.349 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.145 15.269 -8.574 1.00 0.00 N ATOM 0 H GLN A 49 6.097 11.124 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 49 7.937 13.171 -5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.141 12.915 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.644 14.529 -5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.392 12.798 -7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.080 13.747 -8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.900 14.714 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.751 16.084 -8.672 1.00 0.00 H new ATOM 756 N ASN A 50 5.899 12.872 -2.785 1.00 0.00 N ATOM 757 CA ASN A 50 5.547 13.365 -1.465 1.00 0.00 C ATOM 758 C ASN A 50 5.770 12.255 -0.436 1.00 0.00 C ATOM 759 O ASN A 50 6.275 11.184 -0.771 1.00 0.00 O ATOM 760 CB ASN A 50 4.075 13.776 -1.405 1.00 0.00 C ATOM 761 CG ASN A 50 3.483 13.903 -2.810 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.113 14.388 -3.736 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.241 13.440 -2.919 1.00 0.00 N ATOM 0 H ASN A 50 5.560 11.933 -2.995 1.00 0.00 H new ATOM 0 HA ASN A 50 6.172 14.232 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.511 13.038 -0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.980 14.726 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.759 13.479 -3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.770 13.046 -2.104 1.00 0.00 H new ATOM 770 N PRO A 51 5.372 12.556 0.830 1.00 0.00 N ATOM 771 CA PRO A 51 5.523 11.596 1.910 1.00 0.00 C ATOM 772 C PRO A 51 4.476 10.486 1.808 1.00 0.00 C ATOM 773 O PRO A 51 3.391 10.700 1.270 1.00 0.00 O ATOM 774 CB PRO A 51 5.398 12.416 3.185 1.00 0.00 C ATOM 775 CG PRO A 51 4.722 13.716 2.779 1.00 0.00 C ATOM 776 CD PRO A 51 4.770 13.813 1.264 1.00 0.00 C ATOM 0 HA PRO A 51 6.480 11.075 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.809 11.887 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.377 12.606 3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.690 13.736 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.229 14.568 3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.772 13.940 0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.363 14.668 0.941 1.00 0.00 H new ATOM 784 N HIS A 52 4.838 9.325 2.334 1.00 0.00 N ATOM 785 CA HIS A 52 3.942 8.181 2.308 1.00 0.00 C ATOM 786 C HIS A 52 4.531 7.049 3.154 1.00 0.00 C ATOM 787 O HIS A 52 5.736 7.018 3.403 1.00 0.00 O ATOM 788 CB HIS A 52 3.647 7.753 0.870 1.00 0.00 C ATOM 789 CG HIS A 52 4.716 6.880 0.256 1.00 0.00 C ATOM 790 ND1 HIS A 52 5.935 7.376 -0.172 1.00 0.00 N ATOM 791 CD2 HIS A 52 4.736 5.540 0.004 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.649 6.371 -0.657 1.00 0.00 C ATOM 793 NE2 HIS A 52 5.903 5.234 -0.548 1.00 0.00 N ATOM 0 H HIS A 52 5.739 9.152 2.780 1.00 0.00 H new ATOM 0 HA HIS A 52 2.983 8.456 2.747 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.698 7.217 0.849 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.523 8.644 0.255 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.937 4.845 0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.646 6.440 -1.067 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.194 4.302 -0.842 1.00 0.00 H new ATOM 802 N HIS A 53 3.654 6.148 3.572 1.00 0.00 N ATOM 803 CA HIS A 53 4.074 5.018 4.384 1.00 0.00 C ATOM 804 C HIS A 53 3.195 3.805 4.067 1.00 0.00 C ATOM 805 O HIS A 53 3.197 2.823 4.807 1.00 0.00 O ATOM 806 CB HIS A 53 4.065 5.384 5.869 1.00 0.00 C ATOM 807 CG HIS A 53 4.250 4.204 6.794 1.00 0.00 C ATOM 808 ND1 HIS A 53 5.475 3.594 6.996 1.00 0.00 N ATOM 809 CD2 HIS A 53 3.351 3.530 7.567 1.00 0.00 C ATOM 810 CE1 HIS A 53 5.311 2.599 7.855 1.00 0.00 C ATOM 811 NE2 HIS A 53 3.993 2.560 8.206 1.00 0.00 N ATOM 0 H HIS A 53 2.656 6.177 3.364 1.00 0.00 H new ATOM 0 HA HIS A 53 5.103 4.752 4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.857 6.109 6.059 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.121 5.874 6.106 1.00 0.00 H new ATOM 0 HD1 HIS A 53 6.355 3.865 6.558 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.296 3.748 7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.084 1.936 8.214 1.00 0.00 H new ATOM 820 N LEU A 54 2.466 3.914 2.967 1.00 0.00 N ATOM 821 CA LEU A 54 1.585 2.840 2.543 1.00 0.00 C ATOM 822 C LEU A 54 1.346 2.945 1.035 1.00 0.00 C ATOM 823 O LEU A 54 1.064 4.027 0.522 1.00 0.00 O ATOM 824 CB LEU A 54 0.298 2.843 3.371 1.00 0.00 C ATOM 825 CG LEU A 54 0.182 1.750 4.435 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.145 2.353 5.840 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.026 0.851 4.166 1.00 0.00 C ATOM 0 H LEU A 54 2.467 4.731 2.356 1.00 0.00 H new ATOM 0 HA LEU A 54 2.052 1.872 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.208 3.812 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.548 2.751 2.690 1.00 0.00 H new ATOM 0 HG LEU A 54 1.071 1.122 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.062 1.554 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.060 2.917 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.714 3.018 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.086 0.082 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.936 1.451 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.918 0.379 3.190 1.00 0.00 H new ATOM 839 N VAL A 55 1.469 1.808 0.368 1.00 0.00 N ATOM 840 CA VAL A 55 1.270 1.758 -1.071 1.00 0.00 C ATOM 841 C VAL A 55 0.351 0.585 -1.415 1.00 0.00 C ATOM 842 O VAL A 55 0.815 -0.544 -1.574 1.00 0.00 O ATOM 843 CB VAL A 55 2.622 1.690 -1.784 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.448 1.796 -3.300 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.572 2.770 -1.264 1.00 0.00 C ATOM 0 H VAL A 55 1.704 0.913 0.797 1.00 0.00 H new ATOM 0 HA VAL A 55 0.779 2.666 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 55 3.067 0.720 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.424 1.745 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.825 0.974 -3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.971 2.745 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.525 2.699 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.135 3.753 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.734 2.629 -0.195 1.00 0.00 H new ATOM 855 N ILE A 56 -0.933 0.890 -1.519 1.00 0.00 N ATOM 856 CA ILE A 56 -1.920 -0.126 -1.841 1.00 0.00 C ATOM 857 C ILE A 56 -2.582 0.217 -3.177 1.00 0.00 C ATOM 858 O ILE A 56 -2.889 1.378 -3.442 1.00 0.00 O ATOM 859 CB ILE A 56 -2.914 -0.293 -0.688 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.233 0.418 -0.994 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.302 0.174 0.633 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.291 0.087 0.060 1.00 0.00 C ATOM 0 H ILE A 56 -1.313 1.827 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.440 -1.097 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.139 -1.354 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.071 1.495 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.591 0.120 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.028 0.045 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.412 -0.416 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.030 1.227 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.219 0.605 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.468 -0.988 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.940 0.408 1.041 1.00 0.00 H new ATOM 874 N SER A 57 -2.782 -0.815 -3.984 1.00 0.00 N ATOM 875 CA SER A 57 -3.402 -0.637 -5.287 1.00 0.00 C ATOM 876 C SER A 57 -4.246 -1.864 -5.636 1.00 0.00 C ATOM 877 O SER A 57 -4.196 -2.876 -4.939 1.00 0.00 O ATOM 878 CB SER A 57 -2.348 -0.392 -6.368 1.00 0.00 C ATOM 879 OG SER A 57 -2.397 -1.378 -7.395 1.00 0.00 O ATOM 0 H SER A 57 -2.526 -1.777 -3.761 1.00 0.00 H new ATOM 0 HA SER A 57 -4.048 0.240 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.500 0.595 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.357 -0.390 -5.914 1.00 0.00 H new ATOM 0 HG SER A 57 -1.710 -1.185 -8.067 1.00 0.00 H new ATOM 885 N ASP A 58 -5.001 -1.735 -6.718 1.00 0.00 N ATOM 886 CA ASP A 58 -5.854 -2.821 -7.168 1.00 0.00 C ATOM 887 C ASP A 58 -5.103 -3.656 -8.208 1.00 0.00 C ATOM 888 O ASP A 58 -3.915 -3.441 -8.442 1.00 0.00 O ATOM 889 CB ASP A 58 -7.128 -2.285 -7.824 1.00 0.00 C ATOM 890 CG ASP A 58 -8.434 -2.821 -7.233 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.395 -3.239 -6.056 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.441 -2.802 -7.974 1.00 0.00 O ATOM 0 H ASP A 58 -5.039 -0.895 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.121 -3.422 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.130 -1.198 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.101 -2.527 -8.886 1.00 0.00 H new ATOM 897 N PHE A 59 -5.828 -4.591 -8.804 1.00 0.00 N ATOM 898 CA PHE A 59 -5.245 -5.459 -9.813 1.00 0.00 C ATOM 899 C PHE A 59 -5.935 -5.269 -11.166 1.00 0.00 C ATOM 900 O PHE A 59 -5.810 -6.110 -12.055 1.00 0.00 O ATOM 901 CB PHE A 59 -5.461 -6.900 -9.343 1.00 0.00 C ATOM 902 CG PHE A 59 -6.869 -7.177 -8.813 1.00 0.00 C ATOM 903 CD1 PHE A 59 -7.917 -6.422 -9.239 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.073 -8.179 -7.916 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.224 -6.679 -8.747 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.380 -8.436 -7.424 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.429 -7.680 -7.851 1.00 0.00 C ATOM 0 H PHE A 59 -6.813 -4.767 -8.608 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.188 -5.225 -9.938 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.257 -7.576 -10.173 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.738 -7.128 -8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.755 -5.627 -9.952 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.241 -8.779 -7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.056 -6.079 -9.085 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.542 -9.231 -6.711 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.423 -7.876 -7.478 1.00 0.00 H new ATOM 917 N ASN A 60 -6.648 -4.158 -11.278 1.00 0.00 N ATOM 918 CA ASN A 60 -7.358 -3.846 -12.507 1.00 0.00 C ATOM 919 C ASN A 60 -6.365 -3.809 -13.669 1.00 0.00 C ATOM 920 O ASN A 60 -6.249 -4.774 -14.423 1.00 0.00 O ATOM 921 CB ASN A 60 -8.034 -2.476 -12.420 1.00 0.00 C ATOM 922 CG ASN A 60 -9.557 -2.613 -12.462 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.221 -2.168 -13.384 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.072 -3.251 -11.416 1.00 0.00 N ATOM 0 H ASN A 60 -6.749 -3.463 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.116 -4.614 -12.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.735 -1.977 -11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.699 -1.848 -13.245 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.080 -3.393 -11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.459 -3.599 -10.678 1.00 0.00 H new ATOM 931 N MET A 61 -5.671 -2.685 -13.778 1.00 0.00 N ATOM 932 CA MET A 61 -4.691 -2.510 -14.837 1.00 0.00 C ATOM 933 C MET A 61 -3.650 -1.457 -14.451 1.00 0.00 C ATOM 934 O MET A 61 -3.348 -0.560 -15.237 1.00 0.00 O ATOM 935 CB MET A 61 -5.399 -2.081 -16.124 1.00 0.00 C ATOM 936 CG MET A 61 -6.827 -2.628 -16.171 1.00 0.00 C ATOM 937 SD MET A 61 -7.686 -1.967 -17.590 1.00 0.00 S ATOM 938 CE MET A 61 -9.232 -1.502 -16.827 1.00 0.00 C ATOM 0 H MET A 61 -5.768 -1.887 -13.150 1.00 0.00 H new ATOM 0 HA MET A 61 -4.180 -3.460 -14.994 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.420 -0.993 -16.187 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.840 -2.439 -16.988 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.807 -3.717 -16.222 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.358 -2.361 -15.257 1.00 0.00 H new ATOM 0 HE1 MET A 61 -10.024 -1.511 -17.575 1.00 0.00 H new ATOM 0 HE2 MET A 61 -9.474 -2.210 -16.034 1.00 0.00 H new ATOM 0 HE3 MET A 61 -9.143 -0.501 -16.405 1.00 0.00 H new ATOM 948 N PRO A 62 -3.116 -1.605 -13.210 1.00 0.00 N ATOM 949 CA PRO A 62 -2.116 -0.677 -12.710 1.00 0.00 C ATOM 950 C PRO A 62 -0.755 -0.934 -13.363 1.00 0.00 C ATOM 951 O PRO A 62 -0.347 -2.083 -13.524 1.00 0.00 O ATOM 952 CB PRO A 62 -2.101 -0.887 -11.204 1.00 0.00 C ATOM 953 CG PRO A 62 -2.752 -2.240 -10.966 1.00 0.00 C ATOM 954 CD PRO A 62 -3.449 -2.654 -12.251 1.00 0.00 C ATOM 0 HA PRO A 62 -2.347 0.360 -12.951 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.082 -0.870 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.649 -0.095 -10.694 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.003 -2.979 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.467 -2.180 -10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.101 -3.628 -12.594 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.527 -2.733 -12.109 1.00 0.00 H new ATOM 962 N LYS A 63 -0.091 0.156 -13.720 1.00 0.00 N ATOM 963 CA LYS A 63 1.214 0.063 -14.352 1.00 0.00 C ATOM 964 C LYS A 63 2.267 -0.262 -13.290 1.00 0.00 C ATOM 965 O LYS A 63 3.354 -0.737 -13.615 1.00 0.00 O ATOM 966 CB LYS A 63 1.515 1.334 -15.148 1.00 0.00 C ATOM 967 CG LYS A 63 0.702 1.375 -16.444 1.00 0.00 C ATOM 968 CD LYS A 63 1.030 0.173 -17.334 1.00 0.00 C ATOM 969 CE LYS A 63 0.824 0.513 -18.811 1.00 0.00 C ATOM 970 NZ LYS A 63 2.003 0.105 -19.606 1.00 0.00 N ATOM 0 H LYS A 63 -0.432 1.107 -13.584 1.00 0.00 H new ATOM 0 HA LYS A 63 1.230 -0.751 -15.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.284 2.210 -14.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.579 1.378 -15.380 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.363 1.379 -16.210 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.914 2.299 -16.982 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.062 -0.136 -17.169 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.397 -0.671 -17.060 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.067 0.009 -19.186 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.655 1.584 -18.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.847 0.343 -20.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.846 0.605 -19.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.147 -0.921 -19.513 1.00 0.00 H new ATOM 984 N MET A 64 1.908 0.008 -12.043 1.00 0.00 N ATOM 985 CA MET A 64 2.808 -0.250 -10.934 1.00 0.00 C ATOM 986 C MET A 64 2.073 -0.931 -9.777 1.00 0.00 C ATOM 987 O MET A 64 1.666 -0.272 -8.821 1.00 0.00 O ATOM 988 CB MET A 64 3.411 1.070 -10.447 1.00 0.00 C ATOM 989 CG MET A 64 4.905 0.916 -10.156 1.00 0.00 C ATOM 990 SD MET A 64 5.773 2.407 -10.613 1.00 0.00 S ATOM 991 CE MET A 64 7.348 1.716 -11.090 1.00 0.00 C ATOM 0 H MET A 64 1.006 0.403 -11.777 1.00 0.00 H new ATOM 0 HA MET A 64 3.598 -0.916 -11.281 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.262 1.842 -11.201 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.894 1.400 -9.546 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.058 0.706 -9.097 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.306 0.067 -10.710 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.140 2.434 -10.877 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.529 0.800 -10.528 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.339 1.492 -12.157 1.00 0.00 H new ATOM 1001 N ASP A 65 1.924 -2.242 -9.903 1.00 0.00 N ATOM 1002 CA ASP A 65 1.244 -3.019 -8.881 1.00 0.00 C ATOM 1003 C ASP A 65 2.176 -3.200 -7.681 1.00 0.00 C ATOM 1004 O ASP A 65 3.347 -2.829 -7.738 1.00 0.00 O ATOM 1005 CB ASP A 65 0.871 -4.408 -9.403 1.00 0.00 C ATOM 1006 CG ASP A 65 0.064 -5.270 -8.429 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.869 -4.709 -7.815 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.399 -6.469 -8.322 1.00 0.00 O ATOM 0 H ASP A 65 2.263 -2.785 -10.697 1.00 0.00 H new ATOM 0 HA ASP A 65 0.337 -2.484 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.298 -4.292 -10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.786 -4.940 -9.663 1.00 0.00 H new ATOM 1013 N GLY A 66 1.620 -3.771 -6.622 1.00 0.00 N ATOM 1014 CA GLY A 66 2.386 -4.006 -5.410 1.00 0.00 C ATOM 1015 C GLY A 66 3.847 -4.321 -5.737 1.00 0.00 C ATOM 1016 O GLY A 66 4.753 -3.629 -5.275 1.00 0.00 O ATOM 0 H GLY A 66 0.648 -4.078 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.335 -3.127 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.948 -4.834 -4.853 1.00 0.00 H new ATOM 1020 N LEU A 67 4.031 -5.364 -6.532 1.00 0.00 N ATOM 1021 CA LEU A 67 5.367 -5.779 -6.927 1.00 0.00 C ATOM 1022 C LEU A 67 6.065 -4.619 -7.641 1.00 0.00 C ATOM 1023 O LEU A 67 7.225 -4.322 -7.361 1.00 0.00 O ATOM 1024 CB LEU A 67 5.307 -7.064 -7.755 1.00 0.00 C ATOM 1025 CG LEU A 67 4.720 -8.288 -7.049 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.452 -9.565 -7.468 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.722 -8.099 -5.531 1.00 0.00 C ATOM 0 H LEU A 67 3.277 -5.935 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 67 5.966 -6.022 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.718 -6.869 -8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.317 -7.308 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 67 3.680 -8.395 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.016 -10.420 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.356 -9.703 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.507 -9.483 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.300 -8.983 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.745 -7.953 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.123 -7.226 -5.272 1.00 0.00 H new ATOM 1039 N GLY A 68 5.329 -3.998 -8.551 1.00 0.00 N ATOM 1040 CA GLY A 68 5.863 -2.878 -9.308 1.00 0.00 C ATOM 1041 C GLY A 68 6.380 -1.782 -8.374 1.00 0.00 C ATOM 1042 O GLY A 68 7.462 -1.237 -8.589 1.00 0.00 O ATOM 0 H GLY A 68 4.368 -4.249 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.671 -3.223 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.088 -2.471 -9.958 1.00 0.00 H new ATOM 1046 N LEU A 69 5.583 -1.491 -7.357 1.00 0.00 N ATOM 1047 CA LEU A 69 5.946 -0.469 -6.389 1.00 0.00 C ATOM 1048 C LEU A 69 7.223 -0.894 -5.661 1.00 0.00 C ATOM 1049 O LEU A 69 8.089 -0.066 -5.385 1.00 0.00 O ATOM 1050 CB LEU A 69 4.772 -0.177 -5.452 1.00 0.00 C ATOM 1051 CG LEU A 69 3.468 0.254 -6.125 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.274 -0.509 -5.549 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.278 1.770 -6.033 1.00 0.00 C ATOM 0 H LEU A 69 4.687 -1.945 -7.182 1.00 0.00 H new ATOM 0 HA LEU A 69 6.163 0.473 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.574 -1.071 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.074 0.605 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 69 3.531 0.001 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.360 -0.183 -6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.413 -1.578 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.197 -0.311 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.343 2.050 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.246 2.070 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.109 2.272 -6.529 1.00 0.00 H new ATOM 1065 N LEU A 70 7.299 -2.184 -5.371 1.00 0.00 N ATOM 1066 CA LEU A 70 8.455 -2.728 -4.680 1.00 0.00 C ATOM 1067 C LEU A 70 9.710 -2.481 -5.521 1.00 0.00 C ATOM 1068 O LEU A 70 10.719 -1.998 -5.009 1.00 0.00 O ATOM 1069 CB LEU A 70 8.228 -4.202 -4.332 1.00 0.00 C ATOM 1070 CG LEU A 70 9.078 -5.212 -5.107 1.00 0.00 C ATOM 1071 CD1 LEU A 70 10.568 -4.990 -4.845 1.00 0.00 C ATOM 1072 CD2 LEU A 70 8.646 -6.646 -4.793 1.00 0.00 C ATOM 0 H LEU A 70 6.579 -2.868 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 70 8.603 -2.219 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.419 -4.337 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.177 -4.437 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 70 8.913 -5.053 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.149 -5.721 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.847 -3.984 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.772 -5.106 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.265 -7.344 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.763 -6.836 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.601 -6.781 -5.073 1.00 0.00 H new ATOM 1084 N GLN A 71 9.605 -2.825 -6.796 1.00 0.00 N ATOM 1085 CA GLN A 71 10.719 -2.646 -7.712 1.00 0.00 C ATOM 1086 C GLN A 71 11.165 -1.182 -7.727 1.00 0.00 C ATOM 1087 O GLN A 71 12.354 -0.894 -7.849 1.00 0.00 O ATOM 1088 CB GLN A 71 10.352 -3.121 -9.120 1.00 0.00 C ATOM 1089 CG GLN A 71 10.402 -4.647 -9.214 1.00 0.00 C ATOM 1090 CD GLN A 71 11.042 -5.095 -10.530 1.00 0.00 C ATOM 1091 OE1 GLN A 71 11.812 -4.380 -11.150 1.00 0.00 O ATOM 1092 NE2 GLN A 71 10.683 -6.315 -10.919 1.00 0.00 N ATOM 0 H GLN A 71 8.767 -3.226 -7.216 1.00 0.00 H new ATOM 0 HA GLN A 71 11.552 -3.256 -7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.353 -2.770 -9.377 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.039 -2.686 -9.845 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.970 -5.048 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.393 -5.053 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.034 -6.861 -10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.057 -6.705 -11.784 1.00 0.00 H new ATOM 1101 N ALA A 72 10.187 -0.297 -7.601 1.00 0.00 N ATOM 1102 CA ALA A 72 10.464 1.129 -7.597 1.00 0.00 C ATOM 1103 C ALA A 72 11.253 1.488 -6.336 1.00 0.00 C ATOM 1104 O ALA A 72 12.244 2.213 -6.404 1.00 0.00 O ATOM 1105 CB ALA A 72 9.150 1.905 -7.704 1.00 0.00 C ATOM 0 H ALA A 72 9.202 -0.540 -7.501 1.00 0.00 H new ATOM 0 HA ALA A 72 11.075 1.403 -8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.358 2.975 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.643 1.636 -8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.511 1.657 -6.856 1.00 0.00 H new ATOM 1111 N VAL A 73 10.782 0.964 -5.213 1.00 0.00 N ATOM 1112 CA VAL A 73 11.431 1.220 -3.939 1.00 0.00 C ATOM 1113 C VAL A 73 12.900 0.800 -4.025 1.00 0.00 C ATOM 1114 O VAL A 73 13.768 1.444 -3.440 1.00 0.00 O ATOM 1115 CB VAL A 73 10.671 0.514 -2.814 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.159 0.635 -3.012 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.094 -0.952 -2.704 1.00 0.00 C ATOM 0 H VAL A 73 9.959 0.364 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 73 11.412 2.285 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 73 10.926 1.008 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.644 0.125 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.876 1.688 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.879 0.179 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.539 -1.431 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.883 -1.463 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.162 -1.008 -2.493 1.00 0.00 H new ATOM 1127 N ARG A 74 13.131 -0.278 -4.759 1.00 0.00 N ATOM 1128 CA ARG A 74 14.479 -0.793 -4.930 1.00 0.00 C ATOM 1129 C ARG A 74 15.364 0.254 -5.611 1.00 0.00 C ATOM 1130 O ARG A 74 16.589 0.183 -5.530 1.00 0.00 O ATOM 1131 CB ARG A 74 14.479 -2.072 -5.768 1.00 0.00 C ATOM 1132 CG ARG A 74 14.394 -3.312 -4.874 1.00 0.00 C ATOM 1133 CD ARG A 74 15.371 -4.393 -5.342 1.00 0.00 C ATOM 1134 NE ARG A 74 16.648 -4.274 -4.603 1.00 0.00 N ATOM 1135 CZ ARG A 74 16.766 -4.433 -3.278 1.00 0.00 C ATOM 1136 NH1 ARG A 74 15.686 -4.719 -2.538 1.00 0.00 N ATOM 1137 NH2 ARG A 74 17.965 -4.308 -2.693 1.00 0.00 N ATOM 0 H ARG A 74 12.407 -0.810 -5.243 1.00 0.00 H new ATOM 0 HA ARG A 74 14.874 -1.021 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.636 -2.059 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.385 -2.116 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.616 -3.037 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.377 -3.705 -4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.938 -5.380 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.550 -4.294 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 74 17.490 -4.057 -5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.774 -4.816 -2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.776 -4.840 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.787 -4.092 -3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.055 -4.429 -1.684 1.00 0.00 H new ATOM 1151 N ALA A 75 14.708 1.202 -6.265 1.00 0.00 N ATOM 1152 CA ALA A 75 15.420 2.261 -6.959 1.00 0.00 C ATOM 1153 C ALA A 75 15.373 3.538 -6.117 1.00 0.00 C ATOM 1154 O ALA A 75 16.212 4.423 -6.278 1.00 0.00 O ATOM 1155 CB ALA A 75 14.814 2.458 -8.350 1.00 0.00 C ATOM 0 H ALA A 75 13.692 1.258 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 75 16.468 1.993 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.348 3.253 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.898 1.532 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.763 2.730 -8.254 1.00 0.00 H new ATOM 1161 N ASN A 76 14.384 3.592 -5.237 1.00 0.00 N ATOM 1162 CA ASN A 76 14.217 4.746 -4.369 1.00 0.00 C ATOM 1163 C ASN A 76 14.047 4.271 -2.924 1.00 0.00 C ATOM 1164 O ASN A 76 13.046 3.642 -2.587 1.00 0.00 O ATOM 1165 CB ASN A 76 12.973 5.547 -4.753 1.00 0.00 C ATOM 1166 CG ASN A 76 13.217 7.049 -4.594 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.331 7.505 -4.399 1.00 0.00 O ATOM 1168 ND2 ASN A 76 12.116 7.790 -4.688 1.00 0.00 N ATOM 0 H ASN A 76 13.690 2.856 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 76 15.099 5.378 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.699 5.327 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.133 5.243 -4.128 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.174 8.804 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.214 7.344 -4.852 1.00 0.00 H new ATOM 1175 N PRO A 77 15.068 4.599 -2.088 1.00 0.00 N ATOM 1176 CA PRO A 77 15.041 4.214 -0.687 1.00 0.00 C ATOM 1177 C PRO A 77 14.066 5.088 0.104 1.00 0.00 C ATOM 1178 O PRO A 77 13.827 4.845 1.285 1.00 0.00 O ATOM 1179 CB PRO A 77 16.480 4.351 -0.214 1.00 0.00 C ATOM 1180 CG PRO A 77 17.169 5.247 -1.231 1.00 0.00 C ATOM 1181 CD PRO A 77 16.270 5.343 -2.452 1.00 0.00 C ATOM 0 HA PRO A 77 14.681 3.196 -0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.523 4.787 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.967 3.378 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.347 6.236 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.141 4.837 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.036 6.381 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.750 4.914 -3.332 1.00 0.00 H new ATOM 1189 N ALA A 78 13.529 6.089 -0.580 1.00 0.00 N ATOM 1190 CA ALA A 78 12.586 6.999 0.043 1.00 0.00 C ATOM 1191 C ALA A 78 11.249 6.284 0.245 1.00 0.00 C ATOM 1192 O ALA A 78 10.542 6.543 1.218 1.00 0.00 O ATOM 1193 CB ALA A 78 12.449 8.260 -0.814 1.00 0.00 C ATOM 0 H ALA A 78 13.730 6.288 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 78 12.945 7.309 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.741 8.943 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.420 8.748 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.089 7.988 -1.806 1.00 0.00 H new ATOM 1199 N THR A 79 10.942 5.397 -0.691 1.00 0.00 N ATOM 1200 CA THR A 79 9.703 4.642 -0.628 1.00 0.00 C ATOM 1201 C THR A 79 9.970 3.218 -0.139 1.00 0.00 C ATOM 1202 O THR A 79 9.070 2.379 -0.135 1.00 0.00 O ATOM 1203 CB THR A 79 9.045 4.697 -2.008 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.741 4.163 -1.793 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.686 3.726 -3.001 1.00 0.00 C ATOM 0 H THR A 79 11.530 5.185 -1.497 1.00 0.00 H new ATOM 0 HA THR A 79 9.012 5.076 0.095 1.00 0.00 H new ATOM 0 HB THR A 79 9.109 5.712 -2.400 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.810 3.323 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.182 3.805 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.741 3.973 -3.122 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.593 2.707 -2.625 1.00 0.00 H new ATOM 1213 N LYS A 80 11.211 2.987 0.262 1.00 0.00 N ATOM 1214 CA LYS A 80 11.609 1.678 0.752 1.00 0.00 C ATOM 1215 C LYS A 80 11.075 1.486 2.173 1.00 0.00 C ATOM 1216 O LYS A 80 11.175 0.396 2.736 1.00 0.00 O ATOM 1217 CB LYS A 80 13.124 1.499 0.635 1.00 0.00 C ATOM 1218 CG LYS A 80 13.853 2.258 1.746 1.00 0.00 C ATOM 1219 CD LYS A 80 14.395 1.295 2.805 1.00 0.00 C ATOM 1220 CE LYS A 80 15.799 0.811 2.437 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.816 1.797 2.866 1.00 0.00 N ATOM 0 H LYS A 80 11.955 3.685 0.258 1.00 0.00 H new ATOM 0 HA LYS A 80 11.170 0.892 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.374 0.439 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.462 1.857 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.674 2.834 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.172 2.970 2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.420 1.792 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.725 0.440 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.994 -0.151 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.866 0.656 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.763 1.453 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.638 2.707 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.762 1.925 3.897 1.00 0.00 H new ATOM 1235 N LYS A 81 10.519 2.562 2.713 1.00 0.00 N ATOM 1236 CA LYS A 81 9.970 2.526 4.057 1.00 0.00 C ATOM 1237 C LYS A 81 8.443 2.549 3.979 1.00 0.00 C ATOM 1238 O LYS A 81 7.767 2.683 5.000 1.00 0.00 O ATOM 1239 CB LYS A 81 10.560 3.652 4.908 1.00 0.00 C ATOM 1240 CG LYS A 81 10.096 5.020 4.404 1.00 0.00 C ATOM 1241 CD LYS A 81 8.945 5.558 5.256 1.00 0.00 C ATOM 1242 CE LYS A 81 9.443 6.607 6.252 1.00 0.00 C ATOM 1243 NZ LYS A 81 9.441 7.951 5.633 1.00 0.00 N ATOM 0 H LYS A 81 10.437 3.464 2.243 1.00 0.00 H new ATOM 0 HA LYS A 81 10.250 1.600 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.260 3.522 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.648 3.601 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.930 5.722 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.777 4.939 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.184 5.997 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.471 4.737 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.807 6.607 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.450 6.354 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.266 8.488 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.485 7.857 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.570 8.454 5.898 1.00 0.00 H new ATOM 1257 N ALA A 82 7.941 2.417 2.761 1.00 0.00 N ATOM 1258 CA ALA A 82 6.506 2.421 2.536 1.00 0.00 C ATOM 1259 C ALA A 82 6.028 0.989 2.287 1.00 0.00 C ATOM 1260 O ALA A 82 6.583 0.283 1.446 1.00 0.00 O ATOM 1261 CB ALA A 82 6.173 3.357 1.373 1.00 0.00 C ATOM 0 H ALA A 82 8.504 2.306 1.918 1.00 0.00 H new ATOM 0 HA ALA A 82 5.982 2.795 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.096 3.359 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.505 4.367 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.680 3.012 0.472 1.00 0.00 H new ATOM 1267 N ALA A 83 5.005 0.601 3.034 1.00 0.00 N ATOM 1268 CA ALA A 83 4.447 -0.734 2.904 1.00 0.00 C ATOM 1269 C ALA A 83 3.341 -0.719 1.847 1.00 0.00 C ATOM 1270 O ALA A 83 2.362 0.013 1.977 1.00 0.00 O ATOM 1271 CB ALA A 83 3.943 -1.211 4.268 1.00 0.00 C ATOM 0 H ALA A 83 4.548 1.188 3.732 1.00 0.00 H new ATOM 0 HA ALA A 83 5.210 -1.439 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.524 -2.213 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.772 -1.231 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.173 -0.529 4.630 1.00 0.00 H new ATOM 1277 N PHE A 84 3.535 -1.537 0.823 1.00 0.00 N ATOM 1278 CA PHE A 84 2.567 -1.627 -0.257 1.00 0.00 C ATOM 1279 C PHE A 84 1.627 -2.817 -0.052 1.00 0.00 C ATOM 1280 O PHE A 84 2.015 -3.826 0.534 1.00 0.00 O ATOM 1281 CB PHE A 84 3.357 -1.834 -1.550 1.00 0.00 C ATOM 1282 CG PHE A 84 4.876 -1.803 -1.364 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.498 -0.636 -1.048 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.602 -2.943 -1.514 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.907 -0.608 -0.875 1.00 0.00 C ATOM 1286 CE2 PHE A 84 7.011 -2.915 -1.341 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.635 -1.748 -1.025 1.00 0.00 C ATOM 0 H PHE A 84 4.348 -2.144 0.718 1.00 0.00 H new ATOM 0 HA PHE A 84 1.962 -0.721 -0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.074 -2.792 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.073 -1.062 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.921 0.269 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.107 -3.870 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.401 0.319 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.588 -3.820 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.707 -1.726 -0.893 1.00 0.00 H new ATOM 1297 N ILE A 85 0.409 -2.659 -0.547 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.591 -3.708 -0.426 1.00 0.00 C ATOM 1299 C ILE A 85 -1.083 -4.101 -1.821 1.00 0.00 C ATOM 1300 O ILE A 85 -1.362 -3.237 -2.651 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.710 -3.274 0.522 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.500 -3.856 1.921 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.082 -3.636 -0.049 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.142 -2.757 2.924 1.00 0.00 C ATOM 0 H ILE A 85 0.091 -1.821 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.155 -4.601 0.021 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.676 -2.189 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.406 -4.368 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.705 -4.601 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.860 -3.317 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.221 -3.135 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.144 -4.715 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.998 -3.198 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.223 -2.263 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.950 -2.027 2.967 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.174 -5.405 -2.036 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.629 -5.923 -3.314 1.00 0.00 C ATOM 1318 C ILE A 86 -2.709 -6.980 -3.077 1.00 0.00 C ATOM 1319 O ILE A 86 -2.429 -8.048 -2.534 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.443 -6.430 -4.139 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.696 -6.241 -5.636 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.114 -7.882 -3.791 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -1.317 -7.498 -6.249 1.00 0.00 C ATOM 0 H ILE A 86 -0.940 -6.119 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.085 -5.129 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 86 0.432 -5.832 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.359 -5.390 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.242 -6.011 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.732 -8.217 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.140 -7.954 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.979 -8.511 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.487 -7.338 -7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.641 -8.342 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.267 -7.711 -5.758 1.00 0.00 H new ATOM 1335 N LEU A 87 -3.920 -6.647 -3.497 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.044 -7.554 -3.337 1.00 0.00 C ATOM 1337 C LEU A 87 -5.204 -8.389 -4.610 1.00 0.00 C ATOM 1338 O LEU A 87 -5.222 -7.848 -5.714 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.305 -6.781 -2.946 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.409 -6.720 -4.003 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -6.917 -6.014 -5.268 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -7.960 -8.115 -4.303 1.00 0.00 C ATOM 0 H LEU A 87 -4.148 -5.761 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.859 -8.250 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.718 -7.231 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.017 -5.761 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.233 -6.129 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.721 -5.984 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.612 -4.997 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.067 -6.558 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.743 -8.042 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.157 -8.751 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.373 -8.547 -3.391 1.00 0.00 H new ATOM 1354 N THR A 88 -5.318 -9.695 -4.411 1.00 0.00 N ATOM 1355 CA THR A 88 -5.477 -10.610 -5.530 1.00 0.00 C ATOM 1356 C THR A 88 -6.264 -11.847 -5.096 1.00 0.00 C ATOM 1357 O THR A 88 -6.380 -12.130 -3.904 1.00 0.00 O ATOM 1358 CB THR A 88 -4.084 -10.935 -6.074 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.297 -12.063 -6.920 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.137 -11.455 -4.992 1.00 0.00 C ATOM 0 H THR A 88 -5.303 -10.141 -3.494 1.00 0.00 H new ATOM 0 HA THR A 88 -6.058 -10.158 -6.334 1.00 0.00 H new ATOM 0 HB THR A 88 -3.656 -10.042 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.445 -12.340 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.164 -11.670 -5.433 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.024 -10.700 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.547 -12.366 -4.557 1.00 0.00 H new ATOM 1368 N ALA A 89 -6.786 -12.554 -6.089 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.559 -13.756 -5.826 1.00 0.00 C ATOM 1370 C ALA A 89 -6.608 -14.909 -5.504 1.00 0.00 C ATOM 1371 O ALA A 89 -6.843 -16.046 -5.913 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.457 -14.058 -7.028 1.00 0.00 C ATOM 0 H ALA A 89 -6.688 -12.317 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.208 -13.614 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.037 -14.960 -6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.134 -13.220 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.840 -14.209 -7.914 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.551 -14.578 -4.775 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.563 -15.573 -4.394 1.00 0.00 C ATOM 1380 C GLN A 90 -4.359 -15.564 -2.878 1.00 0.00 C ATOM 1381 O GLN A 90 -4.579 -16.576 -2.213 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.241 -15.340 -5.127 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.089 -16.305 -6.304 1.00 0.00 C ATOM 1384 CD GLN A 90 -2.074 -17.405 -5.985 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -1.979 -17.893 -4.871 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -1.323 -17.766 -7.022 1.00 0.00 N ATOM 0 H GLN A 90 -5.358 -13.635 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.934 -16.556 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.197 -14.312 -5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.409 -15.471 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.055 -16.753 -6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.769 -15.756 -7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.455 -17.316 -7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.616 -18.492 -6.911 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.942 -14.411 -2.375 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.706 -14.258 -0.950 1.00 0.00 C ATOM 1397 C GLY A 91 -2.910 -15.441 -0.396 1.00 0.00 C ATOM 1398 O GLY A 91 -3.455 -16.280 0.321 1.00 0.00 O ATOM 0 H GLY A 91 -3.762 -13.574 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.163 -13.331 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.659 -14.179 -0.426 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.633 -15.472 -0.748 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.757 -16.538 -0.296 1.00 0.00 C ATOM 1404 C ASP A 92 0.483 -15.929 0.361 1.00 0.00 C ATOM 1405 O ASP A 92 1.207 -15.157 -0.267 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.293 -17.406 -1.467 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.698 -18.879 -1.381 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.873 -19.125 -1.034 1.00 0.00 O ATOM 1409 OD2 ASP A 92 0.177 -19.725 -1.664 1.00 0.00 O ATOM 0 H ASP A 92 -1.184 -14.775 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.314 -17.154 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.694 -16.988 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.793 -17.347 -1.535 1.00 0.00 H new ATOM 1414 N ARG A 93 0.691 -16.298 1.617 1.00 0.00 N ATOM 1415 CA ARG A 93 1.831 -15.798 2.365 1.00 0.00 C ATOM 1416 C ARG A 93 3.131 -16.089 1.611 1.00 0.00 C ATOM 1417 O ARG A 93 4.120 -15.375 1.773 1.00 0.00 O ATOM 1418 CB ARG A 93 1.902 -16.436 3.754 1.00 0.00 C ATOM 1419 CG ARG A 93 2.087 -17.951 3.652 1.00 0.00 C ATOM 1420 CD ARG A 93 2.644 -18.524 4.956 1.00 0.00 C ATOM 1421 NE ARG A 93 2.113 -19.888 5.176 1.00 0.00 N ATOM 1422 CZ ARG A 93 2.155 -20.529 6.353 1.00 0.00 C ATOM 1423 NH1 ARG A 93 2.704 -19.934 7.421 1.00 0.00 N ATOM 1424 NH2 ARG A 93 1.649 -21.765 6.461 1.00 0.00 N ATOM 0 H ARG A 93 0.089 -16.938 2.135 1.00 0.00 H new ATOM 0 HA ARG A 93 1.706 -14.721 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.729 -16.002 4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.990 -16.214 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.132 -18.423 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.764 -18.184 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.733 -18.551 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.372 -17.879 5.792 1.00 0.00 H new ATOM 0 HE ARG A 93 1.689 -20.370 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.090 -18.993 7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.736 -20.422 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.232 -22.218 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.681 -22.253 7.356 1.00 0.00 H new ATOM 1438 N ALA A 94 3.086 -17.137 0.802 1.00 0.00 N ATOM 1439 CA ALA A 94 4.247 -17.531 0.023 1.00 0.00 C ATOM 1440 C ALA A 94 4.643 -16.384 -0.910 1.00 0.00 C ATOM 1441 O ALA A 94 5.813 -16.009 -0.976 1.00 0.00 O ATOM 1442 CB ALA A 94 3.937 -18.820 -0.739 1.00 0.00 C ATOM 0 H ALA A 94 2.263 -17.725 0.669 1.00 0.00 H new ATOM 0 HA ALA A 94 5.096 -17.734 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.808 -19.116 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.690 -19.611 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.092 -18.654 -1.407 1.00 0.00 H new ATOM 1448 N LEU A 95 3.645 -15.859 -1.606 1.00 0.00 N ATOM 1449 CA LEU A 95 3.875 -14.763 -2.532 1.00 0.00 C ATOM 1450 C LEU A 95 4.293 -13.517 -1.748 1.00 0.00 C ATOM 1451 O LEU A 95 5.122 -12.736 -2.211 1.00 0.00 O ATOM 1452 CB LEU A 95 2.649 -14.547 -3.421 1.00 0.00 C ATOM 1453 CG LEU A 95 2.536 -15.462 -4.642 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.370 -16.440 -4.488 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.432 -14.645 -5.932 1.00 0.00 C ATOM 0 H LEU A 95 2.676 -16.172 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 95 4.694 -15.003 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.755 -14.676 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.653 -13.513 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 95 3.448 -16.056 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.312 -17.079 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.527 -17.056 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.439 -15.883 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.353 -15.320 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.548 -14.009 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.321 -14.024 -6.042 1.00 0.00 H new ATOM 1467 N VAL A 96 3.699 -13.371 -0.572 1.00 0.00 N ATOM 1468 CA VAL A 96 3.997 -12.234 0.281 1.00 0.00 C ATOM 1469 C VAL A 96 5.481 -12.260 0.656 1.00 0.00 C ATOM 1470 O VAL A 96 6.168 -11.245 0.557 1.00 0.00 O ATOM 1471 CB VAL A 96 3.073 -12.236 1.500 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.346 -11.027 2.398 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.604 -12.282 1.073 1.00 0.00 C ATOM 0 H VAL A 96 3.013 -14.022 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 96 3.810 -11.300 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 96 3.283 -13.136 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.675 -11.053 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.379 -11.056 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.178 -10.110 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.968 -12.283 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.375 -11.409 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.421 -13.188 0.494 1.00 0.00 H new ATOM 1483 N GLN A 97 5.931 -13.432 1.080 1.00 0.00 N ATOM 1484 CA GLN A 97 7.319 -13.604 1.471 1.00 0.00 C ATOM 1485 C GLN A 97 8.226 -13.575 0.238 1.00 0.00 C ATOM 1486 O GLN A 97 9.380 -13.160 0.322 1.00 0.00 O ATOM 1487 CB GLN A 97 7.511 -14.900 2.261 1.00 0.00 C ATOM 1488 CG GLN A 97 7.467 -14.636 3.768 1.00 0.00 C ATOM 1489 CD GLN A 97 8.567 -15.415 4.493 1.00 0.00 C ATOM 1490 OE1 GLN A 97 8.333 -16.442 5.108 1.00 0.00 O ATOM 1491 NE2 GLN A 97 9.775 -14.870 4.387 1.00 0.00 N ATOM 0 H GLN A 97 5.358 -14.272 1.161 1.00 0.00 H new ATOM 0 HA GLN A 97 7.597 -12.776 2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.733 -15.614 1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.466 -15.354 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.586 -13.569 3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 97 6.492 -14.923 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 97 9.901 -14.008 3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.576 -15.314 4.836 1.00 0.00 H new ATOM 1500 N LYS A 98 7.667 -14.020 -0.878 1.00 0.00 N ATOM 1501 CA LYS A 98 8.409 -14.050 -2.127 1.00 0.00 C ATOM 1502 C LYS A 98 8.815 -12.625 -2.507 1.00 0.00 C ATOM 1503 O LYS A 98 9.996 -12.344 -2.705 1.00 0.00 O ATOM 1504 CB LYS A 98 7.607 -14.772 -3.210 1.00 0.00 C ATOM 1505 CG LYS A 98 8.526 -15.304 -4.311 1.00 0.00 C ATOM 1506 CD LYS A 98 8.611 -16.831 -4.264 1.00 0.00 C ATOM 1507 CE LYS A 98 7.894 -17.457 -5.462 1.00 0.00 C ATOM 1508 NZ LYS A 98 8.418 -18.815 -5.728 1.00 0.00 N ATOM 0 H LYS A 98 6.709 -14.363 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 98 9.329 -14.623 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.050 -15.597 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.875 -14.089 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.154 -14.987 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.522 -14.877 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.656 -17.141 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.166 -17.195 -3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.823 -17.506 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.029 -16.830 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.921 -19.225 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.436 -18.760 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.266 -19.415 -4.892 1.00 0.00 H new ATOM 1522 N ALA A 99 7.813 -11.763 -2.599 1.00 0.00 N ATOM 1523 CA ALA A 99 8.051 -10.374 -2.953 1.00 0.00 C ATOM 1524 C ALA A 99 8.677 -9.648 -1.761 1.00 0.00 C ATOM 1525 O ALA A 99 9.672 -8.940 -1.913 1.00 0.00 O ATOM 1526 CB ALA A 99 6.738 -9.730 -3.403 1.00 0.00 C ATOM 0 H ALA A 99 6.835 -12.000 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 99 8.751 -10.305 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.916 -8.688 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.349 -10.264 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.012 -9.779 -2.591 1.00 0.00 H new ATOM 1532 N ALA A 100 8.069 -9.849 -0.601 1.00 0.00 N ATOM 1533 CA ALA A 100 8.555 -9.223 0.616 1.00 0.00 C ATOM 1534 C ALA A 100 10.038 -9.551 0.798 1.00 0.00 C ATOM 1535 O ALA A 100 10.778 -8.785 1.414 1.00 0.00 O ATOM 1536 CB ALA A 100 7.706 -9.685 1.803 1.00 0.00 C ATOM 0 H ALA A 100 7.244 -10.437 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 100 8.463 -8.139 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.071 -9.215 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.666 -9.401 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.775 -10.768 1.900 1.00 0.00 H new ATOM 1542 N ALA A 101 10.430 -10.694 0.250 1.00 0.00 N ATOM 1543 CA ALA A 101 11.812 -11.133 0.344 1.00 0.00 C ATOM 1544 C ALA A 101 12.552 -10.747 -0.938 1.00 0.00 C ATOM 1545 O ALA A 101 13.779 -10.659 -0.947 1.00 0.00 O ATOM 1546 CB ALA A 101 11.851 -12.640 0.608 1.00 0.00 C ATOM 0 H ALA A 101 9.815 -11.328 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 101 12.316 -10.642 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.887 -12.970 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.336 -12.859 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.358 -13.166 -0.210 1.00 0.00 H new ATOM 1552 N LEU A 102 11.777 -10.527 -1.989 1.00 0.00 N ATOM 1553 CA LEU A 102 12.344 -10.152 -3.273 1.00 0.00 C ATOM 1554 C LEU A 102 12.983 -8.766 -3.159 1.00 0.00 C ATOM 1555 O LEU A 102 13.856 -8.414 -3.949 1.00 0.00 O ATOM 1556 CB LEU A 102 11.289 -10.255 -4.376 1.00 0.00 C ATOM 1557 CG LEU A 102 11.793 -10.061 -5.807 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.821 -11.133 -6.176 1.00 0.00 C ATOM 1559 CD2 LEU A 102 10.630 -10.019 -6.798 1.00 0.00 C ATOM 0 H LEU A 102 10.760 -10.601 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 102 13.136 -10.845 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.816 -11.235 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.515 -9.513 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 102 12.298 -9.097 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.163 -10.972 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.670 -11.072 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.363 -12.119 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.017 -9.880 -7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.075 -10.956 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.967 -9.191 -6.546 1.00 0.00 H new ATOM 1571 N GLY A 103 12.519 -8.017 -2.169 1.00 0.00 N ATOM 1572 CA GLY A 103 13.033 -6.677 -1.941 1.00 0.00 C ATOM 1573 C GLY A 103 11.940 -5.756 -1.399 1.00 0.00 C ATOM 1574 O GLY A 103 12.234 -4.710 -0.821 1.00 0.00 O ATOM 0 H GLY A 103 11.793 -8.313 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.863 -6.717 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.427 -6.271 -2.873 1.00 0.00 H new ATOM 1578 N ALA A 104 10.700 -6.175 -1.604 1.00 0.00 N ATOM 1579 CA ALA A 104 9.561 -5.400 -1.143 1.00 0.00 C ATOM 1580 C ALA A 104 9.713 -5.120 0.353 1.00 0.00 C ATOM 1581 O ALA A 104 10.246 -5.945 1.092 1.00 0.00 O ATOM 1582 CB ALA A 104 8.267 -6.151 -1.468 1.00 0.00 C ATOM 0 H ALA A 104 10.459 -7.042 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 104 9.517 -4.439 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.412 -5.570 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.193 -6.299 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.273 -7.120 -0.968 1.00 0.00 H new ATOM 1588 N ASN A 105 9.233 -3.952 0.756 1.00 0.00 N ATOM 1589 CA ASN A 105 9.309 -3.552 2.151 1.00 0.00 C ATOM 1590 C ASN A 105 8.174 -4.220 2.930 1.00 0.00 C ATOM 1591 O ASN A 105 8.355 -4.617 4.080 1.00 0.00 O ATOM 1592 CB ASN A 105 9.158 -2.037 2.299 1.00 0.00 C ATOM 1593 CG ASN A 105 9.683 -1.563 3.655 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.865 -1.624 3.948 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.740 -1.089 4.464 1.00 0.00 N ATOM 0 H ASN A 105 8.790 -3.270 0.140 1.00 0.00 H new ATOM 0 HA ASN A 105 10.282 -3.856 2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.701 -1.534 1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.109 -1.761 2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.989 -0.748 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.768 -1.066 4.156 1.00 0.00 H new ATOM 1602 N ASN A 106 7.028 -4.322 2.272 1.00 0.00 N ATOM 1603 CA ASN A 106 5.864 -4.934 2.890 1.00 0.00 C ATOM 1604 C ASN A 106 4.771 -5.120 1.835 1.00 0.00 C ATOM 1605 O ASN A 106 4.402 -4.171 1.145 1.00 0.00 O ATOM 1606 CB ASN A 106 5.300 -4.049 4.003 1.00 0.00 C ATOM 1607 CG ASN A 106 5.476 -4.710 5.371 1.00 0.00 C ATOM 1608 OD1 ASN A 106 5.136 -5.862 5.581 1.00 0.00 O ATOM 1609 ND2 ASN A 106 6.024 -3.918 6.289 1.00 0.00 N ATOM 0 H ASN A 106 6.881 -3.991 1.318 1.00 0.00 H new ATOM 0 HA ASN A 106 6.171 -5.891 3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.804 -3.083 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.242 -3.859 3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.182 -4.267 7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.286 -2.962 6.047 1.00 0.00 H new ATOM 1616 N VAL A 107 4.285 -6.350 1.742 1.00 0.00 N ATOM 1617 CA VAL A 107 3.242 -6.672 0.783 1.00 0.00 C ATOM 1618 C VAL A 107 2.094 -7.379 1.504 1.00 0.00 C ATOM 1619 O VAL A 107 2.252 -8.502 1.980 1.00 0.00 O ATOM 1620 CB VAL A 107 3.826 -7.497 -0.366 1.00 0.00 C ATOM 1621 CG1 VAL A 107 3.313 -6.994 -1.717 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.355 -7.492 -0.324 1.00 0.00 C ATOM 0 H VAL A 107 4.595 -7.135 2.315 1.00 0.00 H new ATOM 0 HA VAL A 107 2.836 -5.763 0.339 1.00 0.00 H new ATOM 0 HB VAL A 107 3.492 -8.527 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.743 -7.597 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.226 -7.074 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.604 -5.952 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.744 -8.086 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.718 -6.468 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.694 -7.919 0.620 1.00 0.00 H new ATOM 1632 N LEU A 108 0.962 -6.692 1.562 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.214 -7.240 2.217 1.00 0.00 C ATOM 1634 C LEU A 108 -1.439 -7.014 1.330 1.00 0.00 C ATOM 1635 O LEU A 108 -1.459 -6.090 0.517 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.359 -6.664 3.626 1.00 0.00 C ATOM 1637 CG LEU A 108 0.940 -6.478 4.413 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.811 -5.335 5.422 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.370 -7.785 5.079 1.00 0.00 C ATOM 0 H LEU A 108 0.834 -5.761 1.166 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.110 -8.317 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.857 -5.697 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.016 -7.318 4.198 1.00 0.00 H new ATOM 0 HG LEU A 108 1.727 -6.201 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.748 -5.224 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.586 -4.408 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.007 -5.558 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.296 -7.624 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.591 -8.117 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.530 -8.547 4.316 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.432 -7.869 1.516 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.659 -7.774 0.743 1.00 0.00 C ATOM 1653 C ALA A 109 -4.773 -7.212 1.629 1.00 0.00 C ATOM 1654 O ALA A 109 -4.784 -7.441 2.838 1.00 0.00 O ATOM 1655 CB ALA A 109 -4.009 -9.148 0.167 1.00 0.00 C ATOM 0 H ALA A 109 -2.413 -8.633 2.192 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.530 -7.092 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.929 -9.076 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.199 -9.489 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -4.148 -9.859 0.981 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.683 -6.488 0.994 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.798 -5.893 1.710 1.00 0.00 C ATOM 1663 C LYS A 110 -7.822 -6.979 2.044 1.00 0.00 C ATOM 1664 O LYS A 110 -8.519 -7.474 1.161 1.00 0.00 O ATOM 1665 CB LYS A 110 -7.381 -4.722 0.915 1.00 0.00 C ATOM 1666 CG LYS A 110 -7.658 -5.128 -0.534 1.00 0.00 C ATOM 1667 CD LYS A 110 -8.994 -4.558 -1.016 1.00 0.00 C ATOM 1668 CE LYS A 110 -8.801 -3.693 -2.264 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.667 -4.172 -3.365 1.00 0.00 N ATOM 0 H LYS A 110 -5.671 -6.300 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.461 -5.470 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.304 -4.383 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.686 -3.882 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.853 -4.771 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.672 -6.215 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.683 -5.373 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.447 -3.963 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.037 -2.654 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.757 -3.722 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.139 -4.141 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.964 -5.150 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.507 -3.563 -3.436 1.00 0.00 H new ATOM 1683 N PRO A 111 -7.881 -7.326 3.358 1.00 0.00 N ATOM 1684 CA PRO A 111 -8.809 -8.346 3.821 1.00 0.00 C ATOM 1685 C PRO A 111 -10.240 -7.806 3.863 1.00 0.00 C ATOM 1686 O PRO A 111 -10.449 -6.595 3.930 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.288 -8.759 5.188 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.368 -7.636 5.641 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.071 -6.762 4.433 1.00 0.00 C ATOM 0 HA PRO A 111 -8.859 -9.206 3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.108 -8.900 5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.750 -9.705 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.840 -7.050 6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.445 -8.042 6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.335 -5.722 4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.011 -6.781 4.182 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.188 -8.730 3.823 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.594 -8.363 3.856 1.00 0.00 C ATOM 1699 C PHE A 112 -13.084 -8.198 5.296 1.00 0.00 C ATOM 1700 O PHE A 112 -14.235 -7.833 5.526 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.369 -9.502 3.193 1.00 0.00 C ATOM 1702 CG PHE A 112 -14.352 -9.040 2.115 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -15.631 -8.723 2.451 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -13.946 -8.949 0.820 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -16.542 -8.295 1.450 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -14.857 -8.520 -0.182 1.00 0.00 C ATOM 1707 CZ PHE A 112 -16.137 -8.203 0.154 1.00 0.00 C ATOM 0 H PHE A 112 -11.010 -9.733 3.768 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.743 -7.415 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -12.660 -10.200 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -13.917 -10.050 3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -15.954 -8.797 3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -12.931 -9.203 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -17.557 -8.042 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -14.534 -8.445 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 112 -16.831 -7.879 -0.607 1.00 0.00 H new ATOM 1717 N THR A 113 -12.184 -8.476 6.229 1.00 0.00 N ATOM 1718 CA THR A 113 -12.511 -8.362 7.640 1.00 0.00 C ATOM 1719 C THR A 113 -11.701 -7.236 8.286 1.00 0.00 C ATOM 1720 O THR A 113 -10.551 -7.003 7.918 1.00 0.00 O ATOM 1721 CB THR A 113 -12.277 -9.728 8.290 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.732 -10.660 7.313 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.195 -9.969 9.491 1.00 0.00 C ATOM 0 H THR A 113 -11.230 -8.780 6.035 1.00 0.00 H new ATOM 0 HA THR A 113 -13.557 -8.091 7.783 1.00 0.00 H new ATOM 0 HB THR A 113 -11.237 -9.806 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.615 -11.572 7.652 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.989 -10.952 9.915 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.016 -9.203 10.245 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.235 -9.924 9.169 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.334 -6.567 9.239 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.687 -5.471 9.940 1.00 0.00 C ATOM 1733 C ILE A 114 -10.582 -6.028 10.839 1.00 0.00 C ATOM 1734 O ILE A 114 -9.626 -5.324 11.162 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.722 -4.628 10.687 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.705 -5.516 11.451 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.439 -3.668 9.734 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.225 -4.809 12.704 1.00 0.00 C ATOM 0 H ILE A 114 -13.288 -6.763 9.542 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.210 -4.794 9.231 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.198 -4.019 11.424 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.542 -5.778 10.804 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.215 -6.448 11.732 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.169 -3.081 10.291 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.711 -3.000 9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -13.948 -4.239 8.958 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -14.922 -5.463 13.228 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.388 -4.570 13.360 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.736 -3.890 12.418 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.750 -7.286 11.219 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.779 -7.945 12.076 1.00 0.00 C ATOM 1752 C GLU A 115 -8.456 -8.134 11.330 1.00 0.00 C ATOM 1753 O GLU A 115 -7.386 -7.888 11.885 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.317 -9.283 12.587 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.142 -9.402 14.102 1.00 0.00 C ATOM 1756 CD GLU A 115 -9.352 -10.661 14.465 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -8.356 -10.930 13.759 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -9.762 -11.326 15.441 1.00 0.00 O ATOM 0 H GLU A 115 -11.544 -7.867 10.949 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.598 -7.310 12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.372 -9.376 12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.795 -10.102 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.624 -8.521 14.482 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.119 -9.430 14.584 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.573 -8.569 10.084 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.400 -8.794 9.257 1.00 0.00 C ATOM 1767 C LYS A 116 -6.855 -7.448 8.777 1.00 0.00 C ATOM 1768 O LYS A 116 -5.642 -7.258 8.697 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.723 -9.768 8.122 1.00 0.00 C ATOM 1770 CG LYS A 116 -7.388 -11.206 8.521 1.00 0.00 C ATOM 1771 CD LYS A 116 -8.628 -11.931 9.050 1.00 0.00 C ATOM 1772 CE LYS A 116 -8.263 -13.312 9.595 1.00 0.00 C ATOM 1773 NZ LYS A 116 -7.651 -13.196 10.938 1.00 0.00 N ATOM 0 H LYS A 116 -9.462 -8.772 9.627 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.610 -9.270 9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.780 -9.695 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.159 -9.493 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.988 -11.742 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -6.610 -11.204 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.093 -11.337 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.362 -12.034 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.155 -13.935 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.569 -13.806 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.472 -14.146 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.753 -12.676 10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.298 -12.684 11.571 1.00 0.00 H new ATOM 1787 N MET A 117 -7.777 -6.548 8.468 1.00 0.00 N ATOM 1788 CA MET A 117 -7.403 -5.225 7.997 1.00 0.00 C ATOM 1789 C MET A 117 -6.842 -4.375 9.139 1.00 0.00 C ATOM 1790 O MET A 117 -5.901 -3.607 8.941 1.00 0.00 O ATOM 1791 CB MET A 117 -8.628 -4.531 7.398 1.00 0.00 C ATOM 1792 CG MET A 117 -8.222 -3.290 6.601 1.00 0.00 C ATOM 1793 SD MET A 117 -8.245 -1.852 7.659 1.00 0.00 S ATOM 1794 CE MET A 117 -9.932 -1.919 8.235 1.00 0.00 C ATOM 0 H MET A 117 -8.782 -6.709 8.535 1.00 0.00 H new ATOM 0 HA MET A 117 -6.629 -5.335 7.237 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.162 -5.225 6.749 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.315 -4.247 8.195 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.226 -3.427 6.181 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.904 -3.146 5.763 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.252 -0.923 8.540 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.577 -2.277 7.432 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.000 -2.598 9.085 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.444 -4.540 10.308 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.016 -3.797 11.481 1.00 0.00 C ATOM 1806 C LYS A 118 -5.673 -4.347 11.966 1.00 0.00 C ATOM 1807 O LYS A 118 -4.847 -3.602 12.491 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.109 -3.811 12.552 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.662 -3.048 13.801 1.00 0.00 C ATOM 1810 CD LYS A 118 -8.862 -2.680 14.676 1.00 0.00 C ATOM 1811 CE LYS A 118 -8.766 -3.354 16.047 1.00 0.00 C ATOM 1812 NZ LYS A 118 -9.937 -2.998 16.882 1.00 0.00 N ATOM 0 H LYS A 118 -8.224 -5.177 10.468 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.860 -2.748 11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -9.019 -3.363 12.154 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.350 -4.840 12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.963 -3.658 14.374 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.130 -2.143 13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.908 -1.598 14.801 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.785 -2.983 14.181 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.714 -4.436 15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.848 -3.046 16.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -9.857 -3.463 17.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.969 -1.967 17.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.808 -3.314 16.410 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.497 -5.646 11.772 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.268 -6.303 12.183 1.00 0.00 C ATOM 1828 C ALA A 119 -3.166 -5.993 11.169 1.00 0.00 C ATOM 1829 O ALA A 119 -2.045 -5.656 11.549 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.519 -7.806 12.331 1.00 0.00 C ATOM 0 H ALA A 119 -6.184 -6.261 11.336 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.938 -5.930 13.152 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.598 -8.300 12.639 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.290 -7.974 13.083 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.848 -8.216 11.376 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.520 -6.118 9.900 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.574 -5.856 8.828 1.00 0.00 C ATOM 1838 C ALA A 120 -2.048 -4.425 8.958 1.00 0.00 C ATOM 1839 O ALA A 120 -0.840 -4.198 8.908 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.249 -6.108 7.477 1.00 0.00 C ATOM 0 H ALA A 120 -4.450 -6.398 9.588 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.720 -6.530 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.539 -5.911 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.580 -7.145 7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.109 -5.447 7.371 1.00 0.00 H new ATOM 1846 N ILE A 121 -2.980 -3.499 9.123 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.625 -2.096 9.262 1.00 0.00 C ATOM 1848 C ILE A 121 -1.791 -1.908 10.530 1.00 0.00 C ATOM 1849 O ILE A 121 -0.766 -1.229 10.508 1.00 0.00 O ATOM 1850 CB ILE A 121 -3.877 -1.219 9.212 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -4.895 -1.657 10.267 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.480 -1.202 7.807 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -4.821 -0.762 11.506 1.00 0.00 C ATOM 0 H ILE A 121 -3.981 -3.692 9.164 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.006 -1.775 8.424 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.586 -0.196 9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.900 -1.619 9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.707 -2.693 10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.369 -0.571 7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.749 -0.807 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.753 -2.216 7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.555 -1.095 12.240 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.822 -0.821 11.939 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.033 0.269 11.223 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.262 -2.521 11.606 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.573 -2.430 12.882 1.00 0.00 C ATOM 1867 C GLU A 122 -0.130 -2.918 12.741 1.00 0.00 C ATOM 1868 O GLU A 122 0.743 -2.513 13.508 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.315 -3.218 13.963 1.00 0.00 C ATOM 1870 CG GLU A 122 -3.193 -2.293 14.810 1.00 0.00 C ATOM 1871 CD GLU A 122 -3.718 -3.021 16.049 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -4.389 -4.058 15.857 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -3.438 -2.523 17.161 1.00 0.00 O ATOM 0 H GLU A 122 -3.113 -3.083 11.620 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.554 -1.384 13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.932 -3.987 13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.596 -3.730 14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.619 -1.418 15.114 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.031 -1.933 14.213 1.00 0.00 H new ATOM 1880 N ALA A 123 0.077 -3.779 11.757 1.00 0.00 N ATOM 1881 CA ALA A 123 1.400 -4.326 11.505 1.00 0.00 C ATOM 1882 C ALA A 123 2.157 -3.401 10.550 1.00 0.00 C ATOM 1883 O ALA A 123 3.339 -3.126 10.752 1.00 0.00 O ATOM 1884 CB ALA A 123 1.269 -5.748 10.959 1.00 0.00 C ATOM 0 H ALA A 123 -0.650 -4.112 11.123 1.00 0.00 H new ATOM 0 HA ALA A 123 1.974 -4.384 12.430 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.261 -6.158 10.770 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.751 -6.371 11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.701 -5.730 10.029 1.00 0.00 H new ATOM 1890 N VAL A 124 1.445 -2.948 9.529 1.00 0.00 N ATOM 1891 CA VAL A 124 2.034 -2.059 8.541 1.00 0.00 C ATOM 1892 C VAL A 124 2.484 -0.768 9.227 1.00 0.00 C ATOM 1893 O VAL A 124 3.503 -0.186 8.857 1.00 0.00 O ATOM 1894 CB VAL A 124 1.045 -1.817 7.399 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.231 -0.544 7.639 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.768 -1.760 6.051 1.00 0.00 C ATOM 0 H VAL A 124 0.465 -3.180 9.364 1.00 0.00 H new ATOM 0 HA VAL A 124 2.918 -2.515 8.095 1.00 0.00 H new ATOM 0 HB VAL A 124 0.352 -2.658 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.464 -0.395 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.327 -0.639 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.904 0.311 7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.043 -1.587 5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.495 -0.948 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.282 -2.705 5.874 1.00 0.00 H new ATOM 1906 N PHE A 125 1.701 -0.356 10.214 1.00 0.00 N ATOM 1907 CA PHE A 125 2.006 0.856 10.955 1.00 0.00 C ATOM 1908 C PHE A 125 3.010 0.576 12.076 1.00 0.00 C ATOM 1909 O PHE A 125 4.033 1.250 12.181 1.00 0.00 O ATOM 1910 CB PHE A 125 0.694 1.345 11.571 1.00 0.00 C ATOM 1911 CG PHE A 125 -0.037 2.392 10.729 1.00 0.00 C ATOM 1912 CD1 PHE A 125 -0.866 1.999 9.726 1.00 0.00 C ATOM 1913 CD2 PHE A 125 0.143 3.716 10.985 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -1.544 2.972 8.945 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -0.535 4.688 10.203 1.00 0.00 C ATOM 1916 CZ PHE A 125 -1.365 4.295 9.199 1.00 0.00 C ATOM 0 H PHE A 125 0.856 -0.840 10.517 1.00 0.00 H new ATOM 0 HA PHE A 125 2.445 1.599 10.289 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.035 0.490 11.722 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.901 1.765 12.555 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.009 0.948 9.523 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.801 4.028 11.783 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.203 2.660 8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -0.392 5.739 10.405 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.881 5.034 8.604 1.00 0.00 H new ATOM 1926 N GLY A 126 2.681 -0.420 12.885 1.00 0.00 N ATOM 1927 CA GLY A 126 3.541 -0.798 13.994 1.00 0.00 C ATOM 1928 C GLY A 126 4.902 -1.285 13.492 1.00 0.00 C ATOM 1929 O GLY A 126 5.921 -0.638 13.725 1.00 0.00 O ATOM 0 H GLY A 126 1.831 -0.977 12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.679 0.055 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.063 -1.584 14.578 1.00 0.00 H new ATOM 1933 N ALA A 127 4.873 -2.422 12.812 1.00 0.00 N ATOM 1934 CA ALA A 127 6.092 -3.002 12.274 1.00 0.00 C ATOM 1935 C ALA A 127 7.258 -2.692 13.215 1.00 0.00 C ATOM 1936 O ALA A 127 8.165 -1.941 12.860 1.00 0.00 O ATOM 1937 CB ALA A 127 6.329 -2.474 10.858 1.00 0.00 C ATOM 0 H ALA A 127 4.025 -2.957 12.621 1.00 0.00 H new ATOM 0 HA ALA A 127 6.003 -4.086 12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.244 -2.910 10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.487 -2.747 10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.426 -1.389 10.886 1.00 0.00 H new ATOM 1943 N LEU A 128 7.197 -3.288 14.397 1.00 0.00 N ATOM 1944 CA LEU A 128 8.236 -3.084 15.393 1.00 0.00 C ATOM 1945 C LEU A 128 9.271 -4.205 15.279 1.00 0.00 C ATOM 1946 O LEU A 128 8.920 -5.384 15.310 1.00 0.00 O ATOM 1947 CB LEU A 128 7.624 -2.951 16.788 1.00 0.00 C ATOM 1948 CG LEU A 128 8.334 -1.990 17.743 1.00 0.00 C ATOM 1949 CD1 LEU A 128 9.710 -2.529 18.140 1.00 0.00 C ATOM 1950 CD2 LEU A 128 8.420 -0.585 17.144 1.00 0.00 C ATOM 0 H LEU A 128 6.444 -3.912 14.687 1.00 0.00 H new ATOM 0 HA LEU A 128 8.760 -2.145 15.211 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.589 -2.626 16.680 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.601 -3.939 17.249 1.00 0.00 H new ATOM 0 HG LEU A 128 7.742 -1.915 18.655 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.194 -1.827 18.819 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.594 -3.493 18.636 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.324 -2.652 17.248 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.929 0.078 17.843 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.977 -0.622 16.208 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.415 -0.209 16.953 1.00 0.00 H new ATOM 1962 N LYS A 129 10.525 -3.800 15.152 1.00 0.00 N ATOM 1963 CA LYS A 129 11.613 -4.756 15.034 1.00 0.00 C ATOM 1964 C LYS A 129 11.161 -5.933 14.168 1.00 0.00 C ATOM 1965 O LYS A 129 11.874 -6.928 14.044 1.00 0.00 O ATOM 1966 CB LYS A 129 12.116 -5.168 16.419 1.00 0.00 C ATOM 1967 CG LYS A 129 13.581 -4.769 16.612 1.00 0.00 C ATOM 1968 CD LYS A 129 14.319 -5.794 17.475 1.00 0.00 C ATOM 1969 CE LYS A 129 14.380 -5.341 18.935 1.00 0.00 C ATOM 1970 NZ LYS A 129 14.111 -6.479 19.842 1.00 0.00 N ATOM 0 H LYS A 129 10.813 -2.822 15.128 1.00 0.00 H new ATOM 0 HA LYS A 129 12.467 -4.301 14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.503 -4.697 17.187 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.010 -6.246 16.543 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.070 -4.686 15.641 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.635 -3.787 17.081 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.815 -6.758 17.411 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.330 -5.936 17.092 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.362 -4.921 19.151 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.650 -4.550 19.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.156 -6.154 20.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 13.164 -6.862 19.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.823 -7.221 19.689 1.00 0.00 H new TER 1984 LYS A 129