USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 580 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 18 HIS : no HD1:sc=-0.000685 X(o=-0.00068,f=0.25) USER MOD Set 1.2: A 22 THR OG1 : rot -160:sc= 0 USER MOD Set 1.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -77:sc= 1.3 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.1 X(o=2.4,f=2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.355 K(o=0.36,f=-0.47) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0707 K(o=-0.071,f=-0.71) USER MOD Single : A 27 THR OG1 : rot -91:sc= 0.556 USER MOD Single : A 33 GLN : amide:sc= -0.0564 K(o=-0.056,f=-1.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.414 K(o=0.41,f=-0.44) USER MOD Single : A 46 HIS : no HE2:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0.248 (180deg=0.161) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -27:sc= 0.703 USER MOD Single : A 70 GLN : amide:sc= 0.0399 X(o=0.04,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.845 -6.715 -10.552 1.00 0.00 N ATOM 2 CA MET A 1 -14.239 -5.379 -10.809 1.00 0.00 C ATOM 3 C MET A 1 -13.095 -5.368 -11.877 1.00 0.00 C ATOM 4 O MET A 1 -13.100 -4.489 -12.741 1.00 0.00 O ATOM 5 CB MET A 1 -13.796 -4.703 -9.486 1.00 0.00 C ATOM 6 CG MET A 1 -14.961 -4.208 -8.611 1.00 0.00 C ATOM 7 SD MET A 1 -14.307 -3.438 -7.116 1.00 0.00 S ATOM 8 CE MET A 1 -14.451 -4.809 -5.957 1.00 0.00 C ATOM 0 H1 MET A 1 -15.591 -6.625 -9.833 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.256 -7.085 -11.433 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.112 -7.369 -10.210 1.00 0.00 H new ATOM 0 HA MET A 1 -15.036 -4.786 -11.258 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.200 -5.411 -8.911 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.149 -3.858 -9.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.568 -3.492 -9.166 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.612 -5.042 -8.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.087 -4.498 -4.978 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.496 -5.109 -5.877 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.858 -5.651 -6.314 1.00 0.00 H new ATOM 19 N LYS A 2 -12.120 -6.291 -11.795 1.00 0.00 N ATOM 20 CA LYS A 2 -10.963 -6.386 -12.739 1.00 0.00 C ATOM 21 C LYS A 2 -9.845 -5.302 -12.554 1.00 0.00 C ATOM 22 O LYS A 2 -8.697 -5.638 -12.245 1.00 0.00 O ATOM 23 CB LYS A 2 -11.337 -6.617 -14.228 1.00 0.00 C ATOM 24 CG LYS A 2 -12.101 -7.927 -14.496 1.00 0.00 C ATOM 25 CD LYS A 2 -12.393 -8.177 -15.986 1.00 0.00 C ATOM 26 CE LYS A 2 -13.501 -7.287 -16.556 1.00 0.00 C ATOM 27 NZ LYS A 2 -13.736 -7.649 -17.968 1.00 0.00 N ATOM 0 H LYS A 2 -12.102 -7.006 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.500 -7.318 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.944 -5.780 -14.572 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.424 -6.614 -14.824 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.522 -8.762 -14.103 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.043 -7.907 -13.948 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.479 -8.015 -16.558 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.673 -9.222 -16.122 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.417 -7.412 -15.979 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.216 -6.238 -16.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.488 -7.047 -18.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.861 -7.509 -18.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.025 -8.646 -18.027 1.00 0.00 H new ATOM 40 N ALA A 3 -10.199 -4.027 -12.726 1.00 0.00 N ATOM 41 CA ALA A 3 -9.321 -2.884 -12.381 1.00 0.00 C ATOM 42 C ALA A 3 -9.279 -2.587 -10.843 1.00 0.00 C ATOM 43 O ALA A 3 -9.975 -1.707 -10.332 1.00 0.00 O ATOM 44 CB ALA A 3 -9.825 -1.698 -13.218 1.00 0.00 C ATOM 0 H ALA A 3 -11.102 -3.747 -13.108 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.280 -3.105 -12.619 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.215 -0.819 -13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.754 -1.944 -14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.864 -1.488 -12.963 1.00 0.00 H new ATOM 50 N LEU A 4 -8.451 -3.372 -10.136 1.00 0.00 N ATOM 51 CA LEU A 4 -8.337 -3.360 -8.652 1.00 0.00 C ATOM 52 C LEU A 4 -9.639 -3.640 -7.818 1.00 0.00 C ATOM 53 O LEU A 4 -10.669 -4.069 -8.344 1.00 0.00 O ATOM 54 CB LEU A 4 -7.327 -2.287 -8.164 1.00 0.00 C ATOM 55 CG LEU A 4 -7.639 -0.785 -8.246 1.00 0.00 C ATOM 56 CD1 LEU A 4 -8.913 -0.350 -7.524 1.00 0.00 C ATOM 57 CD2 LEU A 4 -6.450 -0.007 -7.633 1.00 0.00 C ATOM 0 H LEU A 4 -7.828 -4.047 -10.578 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.863 -4.300 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.113 -2.508 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.403 -2.448 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.796 -0.567 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.047 0.726 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.770 -0.870 -7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.832 -0.594 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.652 1.063 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.318 -0.305 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.542 -0.231 -8.192 1.00 0.00 H new ATOM 69 N THR A 5 -9.547 -3.488 -6.492 1.00 0.00 N ATOM 70 CA THR A 5 -10.692 -3.655 -5.556 1.00 0.00 C ATOM 71 C THR A 5 -10.735 -2.468 -4.522 1.00 0.00 C ATOM 72 O THR A 5 -9.715 -1.842 -4.213 1.00 0.00 O ATOM 73 CB THR A 5 -10.662 -5.018 -4.779 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.532 -5.135 -3.918 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.680 -6.263 -5.656 1.00 0.00 C ATOM 0 H THR A 5 -8.675 -3.244 -6.023 1.00 0.00 H new ATOM 0 HA THR A 5 -11.590 -3.652 -6.173 1.00 0.00 H new ATOM 0 HB THR A 5 -11.591 -4.980 -4.210 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.735 -5.340 -4.450 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.657 -7.152 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.587 -6.270 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.809 -6.259 -6.311 1.00 0.00 H new ATOM 83 N ALA A 6 -11.912 -2.200 -3.936 1.00 0.00 N ATOM 84 CA ALA A 6 -12.063 -1.169 -2.870 1.00 0.00 C ATOM 85 C ALA A 6 -11.167 -1.291 -1.584 1.00 0.00 C ATOM 86 O ALA A 6 -10.730 -0.265 -1.059 1.00 0.00 O ATOM 87 CB ALA A 6 -13.556 -1.136 -2.510 1.00 0.00 C ATOM 0 H ALA A 6 -12.781 -2.678 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.688 -0.236 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.726 -0.394 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.138 -0.873 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.866 -2.118 -2.151 1.00 0.00 H new ATOM 93 N ARG A 7 -10.881 -2.507 -1.098 1.00 0.00 N ATOM 94 CA ARG A 7 -9.898 -2.729 0.004 1.00 0.00 C ATOM 95 C ARG A 7 -8.401 -2.456 -0.380 1.00 0.00 C ATOM 96 O ARG A 7 -7.724 -1.744 0.362 1.00 0.00 O ATOM 97 CB ARG A 7 -10.084 -4.148 0.589 1.00 0.00 C ATOM 98 CG ARG A 7 -11.371 -4.301 1.427 1.00 0.00 C ATOM 99 CD ARG A 7 -11.634 -5.739 1.886 1.00 0.00 C ATOM 100 NE ARG A 7 -10.801 -6.104 3.056 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.885 -7.239 3.730 1.00 0.00 C ATOM 102 NH1 ARG A 7 -11.681 -8.221 3.424 1.00 0.00 N ATOM 103 NH2 ARG A 7 -10.126 -7.375 4.763 1.00 0.00 N ATOM 0 H ARG A 7 -11.312 -3.364 -1.444 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.119 -1.980 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.103 -4.870 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.223 -4.392 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.304 -3.655 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -12.221 -3.954 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -12.688 -5.852 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.429 -6.426 1.065 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.106 -5.425 3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.297 -8.145 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.689 -9.067 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.492 -6.623 5.033 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.160 -8.235 5.311 1.00 0.00 H new ATOM 116 N GLN A 8 -7.896 -2.960 -1.521 1.00 0.00 N ATOM 117 CA GLN A 8 -6.532 -2.600 -2.016 1.00 0.00 C ATOM 118 C GLN A 8 -6.310 -1.119 -2.480 1.00 0.00 C ATOM 119 O GLN A 8 -5.225 -0.587 -2.252 1.00 0.00 O ATOM 120 CB GLN A 8 -6.047 -3.670 -3.025 1.00 0.00 C ATOM 121 CG GLN A 8 -6.616 -3.565 -4.447 1.00 0.00 C ATOM 122 CD GLN A 8 -6.457 -4.811 -5.295 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.254 -5.739 -5.229 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.479 -4.866 -6.158 1.00 0.00 N ATOM 0 H GLN A 8 -8.399 -3.614 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.882 -2.618 -1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.960 -3.616 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.296 -4.654 -2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.676 -3.322 -4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.130 -2.733 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.810 -4.098 -6.221 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.384 -5.677 -6.770 1.00 0.00 H new ATOM 133 N GLN A 9 -7.311 -0.432 -3.060 1.00 0.00 N ATOM 134 CA GLN A 9 -7.280 1.058 -3.197 1.00 0.00 C ATOM 135 C GLN A 9 -7.271 1.860 -1.855 1.00 0.00 C ATOM 136 O GLN A 9 -6.527 2.833 -1.768 1.00 0.00 O ATOM 137 CB GLN A 9 -8.404 1.477 -4.165 1.00 0.00 C ATOM 138 CG GLN A 9 -8.538 2.984 -4.486 1.00 0.00 C ATOM 139 CD GLN A 9 -7.305 3.679 -5.045 1.00 0.00 C ATOM 140 OE1 GLN A 9 -6.792 3.352 -6.107 1.00 0.00 O ATOM 141 NE2 GLN A 9 -6.780 4.662 -4.359 1.00 0.00 N ATOM 0 H GLN A 9 -8.150 -0.869 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.312 1.332 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.257 0.944 -5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.352 1.135 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.351 3.108 -5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.835 3.501 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.197 4.945 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.954 5.145 -4.711 1.00 0.00 H new ATOM 150 N GLU A 10 -8.015 1.456 -0.814 1.00 0.00 N ATOM 151 CA GLU A 10 -7.799 1.982 0.570 1.00 0.00 C ATOM 152 C GLU A 10 -6.345 1.779 1.151 1.00 0.00 C ATOM 153 O GLU A 10 -5.798 2.719 1.730 1.00 0.00 O ATOM 154 CB GLU A 10 -8.866 1.376 1.513 1.00 0.00 C ATOM 155 CG GLU A 10 -10.284 1.950 1.314 1.00 0.00 C ATOM 156 CD GLU A 10 -11.346 1.173 2.073 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.746 1.483 3.190 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.794 0.098 1.364 1.00 0.00 O ATOM 0 H GLU A 10 -8.769 0.773 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.907 3.065 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.898 0.297 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.560 1.544 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.299 2.990 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.527 1.945 0.251 1.00 0.00 H new ATOM 166 N VAL A 11 -5.714 0.610 0.940 1.00 0.00 N ATOM 167 CA VAL A 11 -4.234 0.428 1.132 1.00 0.00 C ATOM 168 C VAL A 11 -3.353 1.439 0.299 1.00 0.00 C ATOM 169 O VAL A 11 -2.452 2.054 0.876 1.00 0.00 O ATOM 170 CB VAL A 11 -3.844 -1.072 0.879 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.328 -1.351 0.977 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.531 -2.045 1.867 1.00 0.00 C ATOM 0 H VAL A 11 -6.195 -0.236 0.635 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.008 0.674 2.169 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.186 -1.244 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.140 -2.408 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.799 -0.752 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.974 -1.090 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.224 -3.067 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.240 -1.793 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.613 -1.961 1.767 1.00 0.00 H new ATOM 182 N PHE A 12 -3.629 1.634 -1.004 1.00 0.00 N ATOM 183 CA PHE A 12 -2.994 2.714 -1.812 1.00 0.00 C ATOM 184 C PHE A 12 -3.198 4.178 -1.294 1.00 0.00 C ATOM 185 O PHE A 12 -2.214 4.910 -1.201 1.00 0.00 O ATOM 186 CB PHE A 12 -3.422 2.542 -3.293 1.00 0.00 C ATOM 187 CG PHE A 12 -2.506 3.229 -4.330 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.116 3.014 -4.329 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.046 4.053 -5.329 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.289 3.642 -5.257 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.220 4.661 -6.281 1.00 0.00 C ATOM 192 CZ PHE A 12 -0.843 4.464 -6.233 1.00 0.00 C ATOM 0 H PHE A 12 -4.289 1.060 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.917 2.585 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.465 1.477 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.433 2.934 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.682 2.350 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.112 4.220 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.780 3.491 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.651 5.282 -7.052 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.203 4.950 -6.955 1.00 0.00 H new ATOM 202 N ASP A 13 -4.421 4.573 -0.908 1.00 0.00 N ATOM 203 CA ASP A 13 -4.682 5.867 -0.223 1.00 0.00 C ATOM 204 C ASP A 13 -3.843 6.153 1.078 1.00 0.00 C ATOM 205 O ASP A 13 -3.384 7.284 1.223 1.00 0.00 O ATOM 206 CB ASP A 13 -6.192 6.001 0.093 1.00 0.00 C ATOM 207 CG ASP A 13 -7.087 6.239 -1.108 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.863 5.408 -1.567 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.946 7.493 -1.613 1.00 0.00 O ATOM 0 H ASP A 13 -5.260 4.013 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.348 6.620 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.523 5.093 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.328 6.823 0.795 1.00 0.00 H new ATOM 215 N LEU A 14 -3.612 5.179 1.975 1.00 0.00 N ATOM 216 CA LEU A 14 -2.694 5.366 3.134 1.00 0.00 C ATOM 217 C LEU A 14 -1.187 5.679 2.762 1.00 0.00 C ATOM 218 O LEU A 14 -0.625 6.651 3.274 1.00 0.00 O ATOM 219 CB LEU A 14 -2.696 4.119 4.054 1.00 0.00 C ATOM 220 CG LEU A 14 -4.000 3.703 4.758 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.674 2.431 5.566 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.550 4.774 5.697 1.00 0.00 C ATOM 0 H LEU A 14 -4.042 4.255 1.929 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.096 6.246 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.362 3.271 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.944 4.281 4.826 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.771 3.541 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.569 2.092 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.330 1.649 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.892 2.652 6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.469 4.415 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.815 4.991 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.759 5.682 5.131 1.00 0.00 H new ATOM 234 N ILE A 15 -0.563 4.866 1.894 1.00 0.00 N ATOM 235 CA ILE A 15 0.805 5.145 1.369 1.00 0.00 C ATOM 236 C ILE A 15 0.923 6.449 0.492 1.00 0.00 C ATOM 237 O ILE A 15 1.853 7.225 0.702 1.00 0.00 O ATOM 238 CB ILE A 15 1.479 3.902 0.688 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.719 3.344 -0.538 1.00 0.00 C ATOM 240 CG2 ILE A 15 1.736 2.755 1.699 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.594 2.478 -1.438 1.00 0.00 C ATOM 0 H ILE A 15 -0.976 4.006 1.534 1.00 0.00 H new ATOM 0 HA ILE A 15 1.385 5.358 2.267 1.00 0.00 H new ATOM 0 HB ILE A 15 2.428 4.290 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.132 2.757 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.319 4.175 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.203 1.915 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.396 3.109 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.789 2.434 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.004 2.116 -2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.431 3.069 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.973 1.629 -0.869 1.00 0.00 H new ATOM 253 N ARG A 16 -0.027 6.708 -0.416 1.00 0.00 N ATOM 254 CA ARG A 16 -0.114 7.978 -1.195 1.00 0.00 C ATOM 255 C ARG A 16 -0.332 9.280 -0.363 1.00 0.00 C ATOM 256 O ARG A 16 0.374 10.264 -0.590 1.00 0.00 O ATOM 257 CB ARG A 16 -1.207 7.737 -2.262 1.00 0.00 C ATOM 258 CG ARG A 16 -1.205 8.715 -3.451 1.00 0.00 C ATOM 259 CD ARG A 16 -2.100 8.243 -4.612 1.00 0.00 C ATOM 260 NE ARG A 16 -3.536 8.368 -4.273 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.544 8.034 -5.059 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.421 7.537 -6.255 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.733 8.227 -4.600 1.00 0.00 N ATOM 0 H ARG A 16 -0.769 6.045 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 16 0.856 8.190 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.095 6.724 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.181 7.787 -1.776 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.544 9.694 -3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.184 8.839 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.883 8.831 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.870 7.205 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.767 8.744 -3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.493 7.379 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.252 7.305 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.862 8.621 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.545 7.985 -5.169 1.00 0.00 H new ATOM 276 N ASP A 17 -1.247 9.259 0.618 1.00 0.00 N ATOM 277 CA ASP A 17 -1.356 10.322 1.657 1.00 0.00 C ATOM 278 C ASP A 17 -0.035 10.621 2.452 1.00 0.00 C ATOM 279 O ASP A 17 0.368 11.782 2.511 1.00 0.00 O ATOM 280 CB ASP A 17 -2.532 9.937 2.591 1.00 0.00 C ATOM 281 CG ASP A 17 -2.962 11.029 3.550 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.886 11.804 3.331 1.00 0.00 O ATOM 283 OD2 ASP A 17 -2.181 11.072 4.664 1.00 0.00 O ATOM 0 H ASP A 17 -1.934 8.513 0.723 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.547 11.269 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.387 9.653 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.247 9.057 3.168 1.00 0.00 H new ATOM 289 N HIS A 18 0.620 9.611 3.041 1.00 0.00 N ATOM 290 CA HIS A 18 1.887 9.812 3.803 1.00 0.00 C ATOM 291 C HIS A 18 3.147 10.201 2.949 1.00 0.00 C ATOM 292 O HIS A 18 3.920 11.050 3.393 1.00 0.00 O ATOM 293 CB HIS A 18 2.092 8.551 4.664 1.00 0.00 C ATOM 294 CG HIS A 18 2.963 8.764 5.913 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.498 9.477 7.010 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.273 8.298 6.158 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.607 9.420 7.811 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.697 8.705 7.405 1.00 0.00 N ATOM 0 H HIS A 18 0.303 8.642 3.011 1.00 0.00 H new ATOM 0 HA HIS A 18 1.779 10.700 4.426 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.117 8.178 4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.547 7.776 4.047 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.858 7.708 5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.619 9.938 8.759 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.577 8.523 7.888 1.00 0.00 H new ATOM 306 N ILE A 19 3.308 9.669 1.728 1.00 0.00 N ATOM 307 CA ILE A 19 4.228 10.246 0.683 1.00 0.00 C ATOM 308 C ILE A 19 3.946 11.767 0.360 1.00 0.00 C ATOM 309 O ILE A 19 4.890 12.556 0.341 1.00 0.00 O ATOM 310 CB ILE A 19 4.159 9.327 -0.596 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.773 7.914 -0.378 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.733 9.932 -1.899 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.291 7.823 -0.290 1.00 0.00 C ATOM 0 H ILE A 19 2.816 8.831 1.419 1.00 0.00 H new ATOM 0 HA ILE A 19 5.244 10.250 1.076 1.00 0.00 H new ATOM 0 HB ILE A 19 3.082 9.239 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.356 7.502 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.442 7.272 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.632 9.211 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.186 10.841 -2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.787 10.171 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.585 6.785 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.732 8.193 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.644 8.426 0.546 1.00 0.00 H new ATOM 325 N SER A 20 2.688 12.164 0.113 1.00 0.00 N ATOM 326 CA SER A 20 2.323 13.589 -0.106 1.00 0.00 C ATOM 327 C SER A 20 2.399 14.566 1.124 1.00 0.00 C ATOM 328 O SER A 20 2.659 15.752 0.916 1.00 0.00 O ATOM 329 CB SER A 20 0.885 13.611 -0.691 1.00 0.00 C ATOM 330 OG SER A 20 0.538 14.917 -1.155 1.00 0.00 O ATOM 0 H SER A 20 1.897 11.522 0.058 1.00 0.00 H new ATOM 0 HA SER A 20 3.089 13.980 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.813 12.899 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.174 13.292 0.071 1.00 0.00 H new ATOM 0 HG SER A 20 -0.371 14.904 -1.520 1.00 0.00 H new ATOM 336 N GLN A 21 2.099 14.100 2.341 1.00 0.00 N ATOM 337 CA GLN A 21 2.028 14.955 3.558 1.00 0.00 C ATOM 338 C GLN A 21 3.316 14.921 4.455 1.00 0.00 C ATOM 339 O GLN A 21 3.732 15.976 4.935 1.00 0.00 O ATOM 340 CB GLN A 21 0.766 14.549 4.379 1.00 0.00 C ATOM 341 CG GLN A 21 -0.567 14.917 3.682 1.00 0.00 C ATOM 342 CD GLN A 21 -1.831 14.409 4.355 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.853 13.682 5.344 1.00 0.00 O ATOM 344 NE2 GLN A 21 -2.967 14.728 3.790 1.00 0.00 N ATOM 0 H GLN A 21 1.896 13.117 2.523 1.00 0.00 H new ATOM 0 HA GLN A 21 1.957 15.989 3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.789 13.474 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.804 15.036 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.629 16.003 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.541 14.530 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.976 15.331 2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.844 14.374 4.172 1.00 0.00 H new ATOM 353 N THR A 22 3.911 13.743 4.700 1.00 0.00 N ATOM 354 CA THR A 22 5.245 13.628 5.373 1.00 0.00 C ATOM 355 C THR A 22 6.455 13.516 4.377 1.00 0.00 C ATOM 356 O THR A 22 7.483 14.148 4.627 1.00 0.00 O ATOM 357 CB THR A 22 5.190 12.430 6.372 1.00 0.00 C ATOM 358 OG1 THR A 22 4.118 12.612 7.294 1.00 0.00 O ATOM 359 CG2 THR A 22 6.429 12.261 7.243 1.00 0.00 C ATOM 0 H THR A 22 3.499 12.845 4.447 1.00 0.00 H new ATOM 0 HA THR A 22 5.434 14.556 5.912 1.00 0.00 H new ATOM 0 HB THR A 22 5.083 11.557 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.271 12.057 8.087 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.296 11.404 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.300 12.099 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.578 13.160 7.841 1.00 0.00 H new ATOM 367 N GLY A 23 6.367 12.694 3.318 1.00 0.00 N ATOM 368 CA GLY A 23 7.512 12.414 2.408 1.00 0.00 C ATOM 369 C GLY A 23 8.014 10.954 2.305 1.00 0.00 C ATOM 370 O GLY A 23 8.570 10.581 1.270 1.00 0.00 O ATOM 0 H GLY A 23 5.510 12.203 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.232 12.743 1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.350 13.034 2.725 1.00 0.00 H new ATOM 374 N MET A 24 7.877 10.164 3.374 1.00 0.00 N ATOM 375 CA MET A 24 8.409 8.780 3.453 1.00 0.00 C ATOM 376 C MET A 24 7.353 7.646 3.202 1.00 0.00 C ATOM 377 O MET A 24 6.167 7.870 3.466 1.00 0.00 O ATOM 378 CB MET A 24 9.145 8.610 4.812 1.00 0.00 C ATOM 379 CG MET A 24 8.290 8.584 6.087 1.00 0.00 C ATOM 380 SD MET A 24 9.382 8.415 7.510 1.00 0.00 S ATOM 381 CE MET A 24 8.147 8.385 8.819 1.00 0.00 C ATOM 0 H MET A 24 7.392 10.460 4.221 1.00 0.00 H new ATOM 0 HA MET A 24 9.107 8.654 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.715 7.682 4.771 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.865 9.422 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.703 9.499 6.167 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.584 7.754 6.052 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.643 8.284 9.785 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.574 9.312 8.800 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.475 7.540 8.666 1.00 0.00 H new ATOM 391 N PRO A 25 7.711 6.411 2.757 1.00 0.00 N ATOM 392 CA PRO A 25 6.741 5.272 2.685 1.00 0.00 C ATOM 393 C PRO A 25 6.370 4.635 4.067 1.00 0.00 C ATOM 394 O PRO A 25 7.286 4.166 4.753 1.00 0.00 O ATOM 395 CB PRO A 25 7.473 4.248 1.773 1.00 0.00 C ATOM 396 CG PRO A 25 8.655 4.994 1.137 1.00 0.00 C ATOM 397 CD PRO A 25 9.021 6.074 2.162 1.00 0.00 C ATOM 0 HA PRO A 25 5.774 5.606 2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.821 3.393 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.801 3.862 1.007 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.494 4.323 0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.378 5.433 0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.722 5.703 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.487 6.939 1.690 1.00 0.00 H new ATOM 405 N PRO A 26 5.092 4.543 4.521 1.00 0.00 N ATOM 406 CA PRO A 26 4.744 3.809 5.783 1.00 0.00 C ATOM 407 C PRO A 26 4.662 2.264 5.597 1.00 0.00 C ATOM 408 O PRO A 26 4.302 1.750 4.533 1.00 0.00 O ATOM 409 CB PRO A 26 3.405 4.486 6.162 1.00 0.00 C ATOM 410 CG PRO A 26 2.749 4.837 4.809 1.00 0.00 C ATOM 411 CD PRO A 26 3.929 5.183 3.880 1.00 0.00 C ATOM 0 HA PRO A 26 5.497 3.880 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.774 3.817 6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.569 5.378 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.171 3.999 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.063 5.678 4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.768 4.800 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.065 6.261 3.793 1.00 0.00 H new ATOM 419 N THR A 27 5.012 1.520 6.651 1.00 0.00 N ATOM 420 CA THR A 27 5.167 0.038 6.575 1.00 0.00 C ATOM 421 C THR A 27 3.822 -0.773 6.424 1.00 0.00 C ATOM 422 O THR A 27 2.735 -0.279 6.732 1.00 0.00 O ATOM 423 CB THR A 27 5.949 -0.507 7.828 1.00 0.00 C ATOM 424 OG1 THR A 27 5.193 -0.377 9.026 1.00 0.00 O ATOM 425 CG2 THR A 27 7.312 0.113 8.099 1.00 0.00 C ATOM 0 H THR A 27 5.197 1.908 7.576 1.00 0.00 H new ATOM 0 HA THR A 27 5.730 -0.125 5.656 1.00 0.00 H new ATOM 0 HB THR A 27 6.112 -1.549 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.391 0.486 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.750 -0.344 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.965 -0.057 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.198 1.185 8.262 1.00 0.00 H new ATOM 433 N ARG A 28 3.917 -2.063 6.054 1.00 0.00 N ATOM 434 CA ARG A 28 2.800 -3.042 6.244 1.00 0.00 C ATOM 435 C ARG A 28 2.164 -3.174 7.680 1.00 0.00 C ATOM 436 O ARG A 28 0.955 -3.390 7.787 1.00 0.00 O ATOM 437 CB ARG A 28 3.175 -4.414 5.635 1.00 0.00 C ATOM 438 CG ARG A 28 4.353 -5.162 6.287 1.00 0.00 C ATOM 439 CD ARG A 28 4.567 -6.574 5.716 1.00 0.00 C ATOM 440 NE ARG A 28 3.530 -7.521 6.197 1.00 0.00 N ATOM 441 CZ ARG A 28 3.565 -8.216 7.325 1.00 0.00 C ATOM 442 NH1 ARG A 28 4.553 -8.198 8.170 1.00 0.00 N ATOM 443 NH2 ARG A 28 2.552 -8.964 7.594 1.00 0.00 N ATOM 0 H ARG A 28 4.749 -2.464 5.621 1.00 0.00 H new ATOM 0 HA ARG A 28 1.974 -2.594 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.297 -5.058 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.408 -4.266 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.264 -4.580 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.179 -5.234 7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.547 -6.534 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.554 -6.937 6.003 1.00 0.00 H new ATOM 0 HE ARG A 28 2.712 -7.649 5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.373 -7.621 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.508 -8.761 9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.763 -9.005 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.539 -9.515 8.452 1.00 0.00 H new ATOM 456 N ALA A 29 2.953 -2.979 8.752 1.00 0.00 N ATOM 457 CA ALA A 29 2.407 -2.727 10.109 1.00 0.00 C ATOM 458 C ALA A 29 1.564 -1.417 10.277 1.00 0.00 C ATOM 459 O ALA A 29 0.487 -1.495 10.862 1.00 0.00 O ATOM 460 CB ALA A 29 3.588 -2.781 11.087 1.00 0.00 C ATOM 0 H ALA A 29 3.972 -2.990 8.710 1.00 0.00 H new ATOM 0 HA ALA A 29 1.670 -3.503 10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.230 -2.600 12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.057 -3.764 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.318 -2.017 10.819 1.00 0.00 H new ATOM 466 N GLU A 30 1.995 -0.261 9.738 1.00 0.00 N ATOM 467 CA GLU A 30 1.126 0.951 9.643 1.00 0.00 C ATOM 468 C GLU A 30 -0.170 0.798 8.767 1.00 0.00 C ATOM 469 O GLU A 30 -1.219 1.292 9.178 1.00 0.00 O ATOM 470 CB GLU A 30 1.942 2.183 9.181 1.00 0.00 C ATOM 471 CG GLU A 30 2.838 2.840 10.250 1.00 0.00 C ATOM 472 CD GLU A 30 4.117 2.102 10.583 1.00 0.00 C ATOM 473 OE1 GLU A 30 5.138 2.187 9.903 1.00 0.00 O ATOM 474 OE2 GLU A 30 3.994 1.308 11.686 1.00 0.00 O ATOM 0 H GLU A 30 2.933 -0.130 9.360 1.00 0.00 H new ATOM 0 HA GLU A 30 0.761 1.096 10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.571 1.884 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.247 2.934 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.097 3.843 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.257 2.952 11.165 1.00 0.00 H new ATOM 482 N ILE A 31 -0.129 0.077 7.637 1.00 0.00 N ATOM 483 CA ILE A 31 -1.364 -0.362 6.904 1.00 0.00 C ATOM 484 C ILE A 31 -2.374 -1.178 7.803 1.00 0.00 C ATOM 485 O ILE A 31 -3.561 -0.840 7.827 1.00 0.00 O ATOM 486 CB ILE A 31 -0.959 -1.074 5.563 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.250 -0.084 4.579 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.173 -1.675 4.811 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.639 -0.761 3.535 1.00 0.00 C ATOM 0 H ILE A 31 0.740 -0.224 7.196 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.940 0.524 6.637 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.283 -1.875 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.010 0.505 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.356 0.613 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.832 -2.153 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.664 -2.414 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.878 -0.881 4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.091 -0.003 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.424 -1.327 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.037 -1.437 2.927 1.00 0.00 H new ATOM 501 N ALA A 32 -1.904 -2.187 8.557 1.00 0.00 N ATOM 502 CA ALA A 32 -2.705 -2.832 9.629 1.00 0.00 C ATOM 503 C ALA A 32 -3.181 -1.937 10.828 1.00 0.00 C ATOM 504 O ALA A 32 -4.335 -2.071 11.237 1.00 0.00 O ATOM 505 CB ALA A 32 -1.907 -4.057 10.096 1.00 0.00 C ATOM 0 H ALA A 32 -0.969 -2.580 8.448 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.667 -3.094 9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.455 -4.568 10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.761 -4.738 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.937 -3.736 10.476 1.00 0.00 H new ATOM 511 N GLN A 33 -2.342 -1.035 11.358 1.00 0.00 N ATOM 512 CA GLN A 33 -2.756 -0.035 12.381 1.00 0.00 C ATOM 513 C GLN A 33 -3.849 1.013 11.920 1.00 0.00 C ATOM 514 O GLN A 33 -4.788 1.267 12.673 1.00 0.00 O ATOM 515 CB GLN A 33 -1.509 0.763 12.874 1.00 0.00 C ATOM 516 CG GLN A 33 -0.459 -0.029 13.676 1.00 0.00 C ATOM 517 CD GLN A 33 0.815 0.772 13.932 1.00 0.00 C ATOM 518 OE1 GLN A 33 1.663 0.970 13.066 1.00 0.00 O ATOM 519 NE2 GLN A 33 1.005 1.270 15.126 1.00 0.00 N ATOM 0 H GLN A 33 -1.358 -0.969 11.097 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.216 -0.632 13.169 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.017 1.198 12.004 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.856 1.591 13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.890 -0.333 14.630 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.207 -0.941 13.135 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.312 1.117 15.859 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.846 1.812 15.325 1.00 0.00 H new ATOM 528 N ARG A 34 -3.689 1.628 10.742 1.00 0.00 N ATOM 529 CA ARG A 34 -4.535 2.768 10.293 1.00 0.00 C ATOM 530 C ARG A 34 -5.953 2.369 9.750 1.00 0.00 C ATOM 531 O ARG A 34 -6.937 2.997 10.144 1.00 0.00 O ATOM 532 CB ARG A 34 -3.745 3.585 9.236 1.00 0.00 C ATOM 533 CG ARG A 34 -2.459 4.273 9.748 1.00 0.00 C ATOM 534 CD ARG A 34 -1.680 4.925 8.596 1.00 0.00 C ATOM 535 NE ARG A 34 -0.379 5.418 9.104 1.00 0.00 N ATOM 536 CZ ARG A 34 0.415 6.271 8.477 1.00 0.00 C ATOM 537 NH1 ARG A 34 0.161 6.803 7.318 1.00 0.00 N ATOM 538 NH2 ARG A 34 1.511 6.608 9.063 1.00 0.00 N ATOM 0 H ARG A 34 -2.974 1.359 10.066 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.747 3.369 11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.478 2.920 8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.405 4.349 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.719 5.029 10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.826 3.540 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.521 4.203 7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.255 5.749 8.173 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.070 5.071 10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.702 6.569 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.825 7.454 6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.740 6.220 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.150 7.263 8.612 1.00 0.00 H new ATOM 551 N LEU A 35 -6.063 1.354 8.877 1.00 0.00 N ATOM 552 CA LEU A 35 -7.382 0.753 8.508 1.00 0.00 C ATOM 553 C LEU A 35 -7.984 -0.302 9.509 1.00 0.00 C ATOM 554 O LEU A 35 -9.193 -0.538 9.462 1.00 0.00 O ATOM 555 CB LEU A 35 -7.251 0.104 7.095 1.00 0.00 C ATOM 556 CG LEU A 35 -7.281 1.113 5.928 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.665 0.496 4.668 1.00 0.00 C ATOM 558 CD2 LEU A 35 -8.703 1.589 5.612 1.00 0.00 C ATOM 0 H LEU A 35 -5.265 0.925 8.408 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.089 1.582 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.318 -0.457 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.061 -0.613 6.961 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.695 1.976 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.695 1.222 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.630 0.217 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.231 -0.391 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.674 2.298 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.320 0.734 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.128 2.075 6.491 1.00 0.00 H new ATOM 570 N GLY A 36 -7.172 -0.945 10.359 1.00 0.00 N ATOM 571 CA GLY A 36 -7.643 -2.019 11.263 1.00 0.00 C ATOM 572 C GLY A 36 -7.669 -3.449 10.695 1.00 0.00 C ATOM 573 O GLY A 36 -8.642 -4.174 10.914 1.00 0.00 O ATOM 0 H GLY A 36 -6.176 -0.742 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.009 -2.018 12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.651 -1.767 11.592 1.00 0.00 H new ATOM 577 N PHE A 37 -6.579 -3.894 10.049 1.00 0.00 N ATOM 578 CA PHE A 37 -6.438 -5.305 9.617 1.00 0.00 C ATOM 579 C PHE A 37 -5.873 -6.160 10.806 1.00 0.00 C ATOM 580 O PHE A 37 -4.659 -6.279 10.994 1.00 0.00 O ATOM 581 CB PHE A 37 -5.534 -5.467 8.370 1.00 0.00 C ATOM 582 CG PHE A 37 -6.025 -4.819 7.070 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.942 -5.493 6.249 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.522 -3.582 6.639 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.333 -4.950 5.023 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.900 -3.051 5.404 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.804 -3.733 4.599 1.00 0.00 C ATOM 0 H PHE A 37 -5.782 -3.304 9.812 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.429 -5.658 9.332 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.553 -5.054 8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.396 -6.533 8.187 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.349 -6.441 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.836 -3.035 7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.046 -5.474 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.489 -2.108 5.074 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.096 -3.320 3.645 1.00 0.00 H new ATOM 597 N ARG A 38 -6.782 -6.765 11.583 1.00 0.00 N ATOM 598 CA ARG A 38 -6.402 -7.642 12.737 1.00 0.00 C ATOM 599 C ARG A 38 -5.509 -8.892 12.409 1.00 0.00 C ATOM 600 O ARG A 38 -4.659 -9.260 13.225 1.00 0.00 O ATOM 601 CB ARG A 38 -7.722 -7.992 13.468 1.00 0.00 C ATOM 602 CG ARG A 38 -7.606 -8.828 14.756 1.00 0.00 C ATOM 603 CD ARG A 38 -6.821 -8.157 15.888 1.00 0.00 C ATOM 604 NE ARG A 38 -6.705 -9.077 17.045 1.00 0.00 N ATOM 605 CZ ARG A 38 -5.768 -9.998 17.212 1.00 0.00 C ATOM 606 NH1 ARG A 38 -4.821 -10.256 16.356 1.00 0.00 N ATOM 607 NH2 ARG A 38 -5.807 -10.688 18.300 1.00 0.00 N ATOM 0 H ARG A 38 -7.789 -6.673 11.447 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.719 -7.088 13.381 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.231 -7.060 13.714 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.363 -8.531 12.771 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.609 -9.058 15.115 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.128 -9.778 14.515 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.828 -7.877 15.536 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.322 -7.238 16.193 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.410 -8.993 17.778 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.766 -9.731 15.483 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.135 -10.983 16.558 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.539 -10.513 18.989 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.106 -11.409 18.472 1.00 0.00 H new ATOM 620 N SER A 39 -5.680 -9.491 11.222 1.00 0.00 N ATOM 621 CA SER A 39 -4.686 -10.430 10.655 1.00 0.00 C ATOM 622 C SER A 39 -3.722 -9.646 9.696 1.00 0.00 C ATOM 623 O SER A 39 -4.162 -9.297 8.592 1.00 0.00 O ATOM 624 CB SER A 39 -5.435 -11.564 9.908 1.00 0.00 C ATOM 625 OG SER A 39 -6.140 -12.404 10.822 1.00 0.00 O ATOM 0 H SER A 39 -6.498 -9.345 10.630 1.00 0.00 H new ATOM 0 HA SER A 39 -4.084 -10.878 11.445 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.135 -11.132 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.723 -12.160 9.337 1.00 0.00 H new ATOM 0 HG SER A 39 -6.605 -13.110 10.326 1.00 0.00 H new ATOM 631 N PRO A 40 -2.435 -9.340 10.026 1.00 0.00 N ATOM 632 CA PRO A 40 -1.543 -8.528 9.118 1.00 0.00 C ATOM 633 C PRO A 40 -1.100 -9.144 7.759 1.00 0.00 C ATOM 634 O PRO A 40 -0.630 -8.408 6.888 1.00 0.00 O ATOM 635 CB PRO A 40 -0.370 -8.156 10.059 1.00 0.00 C ATOM 636 CG PRO A 40 -0.328 -9.295 11.100 1.00 0.00 C ATOM 637 CD PRO A 40 -1.813 -9.627 11.336 1.00 0.00 C ATOM 0 HA PRO A 40 -2.094 -7.681 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.570 -8.085 9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.535 -7.190 10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.221 -10.159 10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.163 -8.979 12.020 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.951 -10.668 11.628 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.242 -9.014 12.129 1.00 0.00 H new ATOM 645 N ASN A 41 -1.309 -10.450 7.533 1.00 0.00 N ATOM 646 CA ASN A 41 -1.344 -11.032 6.165 1.00 0.00 C ATOM 647 C ASN A 41 -2.413 -10.448 5.174 1.00 0.00 C ATOM 648 O ASN A 41 -2.107 -10.367 3.990 1.00 0.00 O ATOM 649 CB ASN A 41 -1.381 -12.576 6.245 1.00 0.00 C ATOM 650 CG ASN A 41 -2.620 -13.213 6.844 1.00 0.00 C ATOM 651 OD1 ASN A 41 -2.808 -13.242 8.054 1.00 0.00 O ATOM 652 ND2 ASN A 41 -3.511 -13.734 6.042 1.00 0.00 N ATOM 0 H ASN A 41 -1.458 -11.132 8.277 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.412 -10.710 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.254 -12.969 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.519 -12.904 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.355 -14.160 6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.363 -13.714 5.033 1.00 0.00 H new ATOM 659 N ALA A 42 -3.602 -10.008 5.627 1.00 0.00 N ATOM 660 CA ALA A 42 -4.535 -9.215 4.778 1.00 0.00 C ATOM 661 C ALA A 42 -4.000 -7.827 4.279 1.00 0.00 C ATOM 662 O ALA A 42 -4.101 -7.545 3.084 1.00 0.00 O ATOM 663 CB ALA A 42 -5.850 -9.084 5.559 1.00 0.00 C ATOM 0 H ALA A 42 -3.946 -10.183 6.571 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.671 -9.755 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.566 -8.508 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.257 -10.076 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.663 -8.575 6.504 1.00 0.00 H new ATOM 669 N ALA A 43 -3.377 -7.018 5.153 1.00 0.00 N ATOM 670 CA ALA A 43 -2.555 -5.851 4.726 1.00 0.00 C ATOM 671 C ALA A 43 -1.401 -6.145 3.698 1.00 0.00 C ATOM 672 O ALA A 43 -1.291 -5.437 2.694 1.00 0.00 O ATOM 673 CB ALA A 43 -2.016 -5.213 6.017 1.00 0.00 C ATOM 0 H ALA A 43 -3.422 -7.144 6.164 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.198 -5.181 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.402 -4.348 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.851 -4.897 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.412 -5.941 6.558 1.00 0.00 H new ATOM 679 N GLU A 44 -0.601 -7.199 3.924 1.00 0.00 N ATOM 680 CA GLU A 44 0.400 -7.689 2.938 1.00 0.00 C ATOM 681 C GLU A 44 -0.181 -8.249 1.588 1.00 0.00 C ATOM 682 O GLU A 44 0.314 -7.869 0.529 1.00 0.00 O ATOM 683 CB GLU A 44 1.274 -8.750 3.662 1.00 0.00 C ATOM 684 CG GLU A 44 2.618 -9.022 2.957 1.00 0.00 C ATOM 685 CD GLU A 44 3.362 -10.231 3.496 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.409 -11.307 2.906 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.967 -9.982 4.693 1.00 0.00 O ATOM 0 H GLU A 44 -0.622 -7.740 4.789 1.00 0.00 H new ATOM 0 HA GLU A 44 0.982 -6.828 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.468 -8.416 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.715 -9.683 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.436 -9.165 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.254 -8.142 3.057 1.00 0.00 H new ATOM 695 N GLU A 45 -1.189 -9.128 1.619 1.00 0.00 N ATOM 696 CA GLU A 45 -1.838 -9.686 0.398 1.00 0.00 C ATOM 697 C GLU A 45 -2.603 -8.654 -0.501 1.00 0.00 C ATOM 698 O GLU A 45 -2.482 -8.736 -1.725 1.00 0.00 O ATOM 699 CB GLU A 45 -2.770 -10.857 0.815 1.00 0.00 C ATOM 700 CG GLU A 45 -2.012 -12.126 1.269 1.00 0.00 C ATOM 701 CD GLU A 45 -2.920 -13.203 1.833 1.00 0.00 C ATOM 702 OE1 GLU A 45 -3.097 -13.396 3.033 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.512 -13.941 0.856 1.00 0.00 O ATOM 0 H GLU A 45 -1.589 -9.482 2.488 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.026 -10.033 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.418 -10.523 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.416 -11.112 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.461 -12.533 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.276 -11.850 2.024 1.00 0.00 H new ATOM 711 N HIS A 46 -3.321 -7.677 0.076 1.00 0.00 N ATOM 712 CA HIS A 46 -3.794 -6.484 -0.681 1.00 0.00 C ATOM 713 C HIS A 46 -2.657 -5.581 -1.284 1.00 0.00 C ATOM 714 O HIS A 46 -2.781 -5.189 -2.443 1.00 0.00 O ATOM 715 CB HIS A 46 -4.739 -5.635 0.200 1.00 0.00 C ATOM 716 CG HIS A 46 -6.123 -6.244 0.448 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.988 -6.628 -0.569 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.736 -6.417 1.701 1.00 0.00 C ATOM 719 CE1 HIS A 46 -8.051 -7.043 0.186 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.991 -6.960 1.548 1.00 0.00 N ATOM 0 H HIS A 46 -3.591 -7.680 1.060 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.327 -6.885 -1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.257 -5.465 1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.868 -4.659 -0.269 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.866 -6.607 -1.581 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.286 -6.160 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.935 -7.435 -0.294 1.00 0.00 H new ATOM 728 N LEU A 47 -1.566 -5.300 -0.552 1.00 0.00 N ATOM 729 CA LEU A 47 -0.326 -4.701 -1.138 1.00 0.00 C ATOM 730 C LEU A 47 0.366 -5.527 -2.291 1.00 0.00 C ATOM 731 O LEU A 47 0.774 -4.936 -3.290 1.00 0.00 O ATOM 732 CB LEU A 47 0.615 -4.417 0.061 1.00 0.00 C ATOM 733 CG LEU A 47 1.852 -3.534 -0.211 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.472 -2.078 -0.496 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.771 -3.573 1.025 1.00 0.00 C ATOM 0 H LEU A 47 -1.505 -5.474 0.451 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.593 -3.789 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.028 -3.944 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.961 -5.373 0.453 1.00 0.00 H new ATOM 0 HG LEU A 47 2.356 -3.928 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.375 -1.496 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.826 -2.035 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.944 -1.665 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.649 -2.953 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.230 -3.194 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.085 -4.600 1.213 1.00 0.00 H new ATOM 747 N LYS A 48 0.449 -6.860 -2.178 1.00 0.00 N ATOM 748 CA LYS A 48 0.893 -7.765 -3.279 1.00 0.00 C ATOM 749 C LYS A 48 -0.030 -7.770 -4.549 1.00 0.00 C ATOM 750 O LYS A 48 0.473 -7.531 -5.647 1.00 0.00 O ATOM 751 CB LYS A 48 1.071 -9.196 -2.705 1.00 0.00 C ATOM 752 CG LYS A 48 2.292 -9.359 -1.775 1.00 0.00 C ATOM 753 CD LYS A 48 2.213 -10.583 -0.852 1.00 0.00 C ATOM 754 CE LYS A 48 2.297 -11.934 -1.559 1.00 0.00 C ATOM 755 NZ LYS A 48 2.186 -13.000 -0.542 1.00 0.00 N ATOM 0 H LYS A 48 0.211 -7.356 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 48 1.841 -7.373 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.171 -9.469 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.163 -9.898 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.193 -9.433 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.393 -8.462 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.021 -10.521 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.277 -10.539 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.498 -12.027 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.240 -12.022 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.241 -13.929 -1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.963 -12.908 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.276 -12.914 -0.047 1.00 0.00 H new ATOM 768 N ALA A 49 -1.352 -7.968 -4.407 1.00 0.00 N ATOM 769 CA ALA A 49 -2.329 -7.716 -5.505 1.00 0.00 C ATOM 770 C ALA A 49 -2.331 -6.284 -6.158 1.00 0.00 C ATOM 771 O ALA A 49 -2.475 -6.159 -7.375 1.00 0.00 O ATOM 772 CB ALA A 49 -3.709 -8.075 -4.932 1.00 0.00 C ATOM 0 H ALA A 49 -1.779 -8.303 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.031 -8.335 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.473 -7.911 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.716 -9.122 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.918 -7.447 -4.066 1.00 0.00 H new ATOM 778 N LEU A 50 -2.153 -5.235 -5.353 1.00 0.00 N ATOM 779 CA LEU A 50 -1.885 -3.846 -5.826 1.00 0.00 C ATOM 780 C LEU A 50 -0.554 -3.642 -6.630 1.00 0.00 C ATOM 781 O LEU A 50 -0.581 -2.985 -7.673 1.00 0.00 O ATOM 782 CB LEU A 50 -1.994 -3.009 -4.528 1.00 0.00 C ATOM 783 CG LEU A 50 -1.949 -1.483 -4.638 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.187 -0.905 -5.327 1.00 0.00 C ATOM 785 CD2 LEU A 50 -1.815 -0.890 -3.225 1.00 0.00 C ATOM 0 H LEU A 50 -2.189 -5.312 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.597 -3.536 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.929 -3.279 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.185 -3.318 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.091 -1.216 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.102 0.180 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.265 -1.310 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.078 -1.173 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.782 0.198 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.671 -1.192 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.898 -1.255 -2.763 1.00 0.00 H new ATOM 797 N ALA A 51 0.575 -4.226 -6.201 1.00 0.00 N ATOM 798 CA ALA A 51 1.804 -4.321 -7.036 1.00 0.00 C ATOM 799 C ALA A 51 1.695 -5.157 -8.358 1.00 0.00 C ATOM 800 O ALA A 51 2.219 -4.724 -9.384 1.00 0.00 O ATOM 801 CB ALA A 51 2.909 -4.871 -6.126 1.00 0.00 C ATOM 0 H ALA A 51 0.672 -4.645 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 51 2.015 -3.320 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.836 -4.960 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.061 -4.192 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.617 -5.852 -5.751 1.00 0.00 H new ATOM 807 N ARG A 52 0.989 -6.296 -8.339 1.00 0.00 N ATOM 808 CA ARG A 52 0.619 -7.062 -9.564 1.00 0.00 C ATOM 809 C ARG A 52 -0.302 -6.307 -10.601 1.00 0.00 C ATOM 810 O ARG A 52 -0.120 -6.496 -11.804 1.00 0.00 O ATOM 811 CB ARG A 52 -0.043 -8.395 -9.115 1.00 0.00 C ATOM 812 CG ARG A 52 0.914 -9.378 -8.401 1.00 0.00 C ATOM 813 CD ARG A 52 0.158 -10.482 -7.648 1.00 0.00 C ATOM 814 NE ARG A 52 1.150 -11.317 -6.929 1.00 0.00 N ATOM 815 CZ ARG A 52 0.922 -12.027 -5.839 1.00 0.00 C ATOM 816 NH1 ARG A 52 -0.227 -12.105 -5.233 1.00 0.00 N ATOM 817 NH2 ARG A 52 1.914 -12.685 -5.347 1.00 0.00 N ATOM 0 H ARG A 52 0.652 -6.724 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 52 1.545 -7.225 -10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.873 -8.167 -8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.465 -8.889 -9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.579 -9.832 -9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.541 -8.827 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.551 -10.045 -6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.418 -11.091 -8.345 1.00 0.00 H new ATOM 0 HE ARG A 52 2.095 -11.346 -7.311 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.031 -11.595 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.323 -12.676 -4.394 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.828 -12.643 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.786 -13.248 -4.506 1.00 0.00 H new ATOM 830 N LYS A 53 -1.229 -5.443 -10.153 1.00 0.00 N ATOM 831 CA LYS A 53 -1.857 -4.401 -11.027 1.00 0.00 C ATOM 832 C LYS A 53 -0.875 -3.294 -11.584 1.00 0.00 C ATOM 833 O LYS A 53 -1.006 -2.896 -12.744 1.00 0.00 O ATOM 834 CB LYS A 53 -3.028 -3.805 -10.204 1.00 0.00 C ATOM 835 CG LYS A 53 -3.985 -2.851 -10.936 1.00 0.00 C ATOM 836 CD LYS A 53 -5.186 -3.491 -11.646 1.00 0.00 C ATOM 837 CE LYS A 53 -4.856 -4.266 -12.920 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.106 -4.597 -13.634 1.00 0.00 N ATOM 0 H LYS A 53 -1.569 -5.435 -9.192 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.202 -4.871 -11.948 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.615 -4.632 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.606 -3.272 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.363 -2.127 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.410 -2.293 -11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.682 -4.166 -10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.901 -2.706 -11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.205 -3.672 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.313 -5.179 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.921 -5.352 -14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.821 -4.920 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.457 -3.752 -14.129 1.00 0.00 H new ATOM 851 N GLY A 54 0.075 -2.815 -10.768 1.00 0.00 N ATOM 852 CA GLY A 54 1.246 -2.041 -11.258 1.00 0.00 C ATOM 853 C GLY A 54 1.486 -0.660 -10.631 1.00 0.00 C ATOM 854 O GLY A 54 1.686 0.300 -11.376 1.00 0.00 O ATOM 0 H GLY A 54 0.063 -2.947 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.140 -2.644 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.137 -1.909 -12.335 1.00 0.00 H new ATOM 858 N VAL A 55 1.516 -0.558 -9.290 1.00 0.00 N ATOM 859 CA VAL A 55 1.670 0.763 -8.603 1.00 0.00 C ATOM 860 C VAL A 55 2.767 0.888 -7.474 1.00 0.00 C ATOM 861 O VAL A 55 2.996 2.017 -7.036 1.00 0.00 O ATOM 862 CB VAL A 55 0.317 1.379 -8.106 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.662 1.720 -9.236 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.418 0.567 -7.047 1.00 0.00 C ATOM 0 H VAL A 55 1.438 -1.354 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 55 2.062 1.355 -9.430 1.00 0.00 H new ATOM 0 HB VAL A 55 0.655 2.302 -7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.574 2.141 -8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.204 2.447 -9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.905 0.815 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.340 1.079 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.655 -0.420 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.215 0.460 -6.166 1.00 0.00 H new ATOM 874 N ILE A 56 3.434 -0.181 -7.012 1.00 0.00 N ATOM 875 CA ILE A 56 4.505 -0.081 -5.974 1.00 0.00 C ATOM 876 C ILE A 56 5.664 -1.122 -6.195 1.00 0.00 C ATOM 877 O ILE A 56 5.430 -2.275 -6.569 1.00 0.00 O ATOM 878 CB ILE A 56 4.036 -0.174 -4.478 1.00 0.00 C ATOM 879 CG1 ILE A 56 3.215 -1.400 -4.040 1.00 0.00 C ATOM 880 CG2 ILE A 56 3.433 1.132 -3.952 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.753 -1.476 -4.449 1.00 0.00 C ATOM 0 H ILE A 56 3.259 -1.133 -7.334 1.00 0.00 H new ATOM 0 HA ILE A 56 4.865 0.937 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 56 4.992 -0.349 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.714 -2.289 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.259 -1.457 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.129 1.000 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.176 1.927 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.564 1.399 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.315 -2.397 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.216 -0.620 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.678 -1.465 -5.536 1.00 0.00 H new ATOM 893 N GLU A 57 6.899 -0.718 -5.856 1.00 0.00 N ATOM 894 CA GLU A 57 8.044 -1.657 -5.728 1.00 0.00 C ATOM 895 C GLU A 57 8.122 -2.275 -4.297 1.00 0.00 C ATOM 896 O GLU A 57 8.384 -1.570 -3.316 1.00 0.00 O ATOM 897 CB GLU A 57 9.345 -0.953 -6.195 1.00 0.00 C ATOM 898 CG GLU A 57 9.855 0.241 -5.366 1.00 0.00 C ATOM 899 CD GLU A 57 11.062 0.924 -5.986 1.00 0.00 C ATOM 900 OE1 GLU A 57 12.206 0.491 -5.918 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.733 2.080 -6.625 1.00 0.00 O ATOM 0 H GLU A 57 7.139 0.255 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 57 7.897 -2.514 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.137 -1.701 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.191 -0.609 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.051 0.968 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.114 -0.104 -4.365 1.00 0.00 H new ATOM 909 N ILE A 58 7.877 -3.588 -4.167 1.00 0.00 N ATOM 910 CA ILE A 58 7.910 -4.280 -2.840 1.00 0.00 C ATOM 911 C ILE A 58 9.385 -4.665 -2.485 1.00 0.00 C ATOM 912 O ILE A 58 9.947 -5.629 -3.012 1.00 0.00 O ATOM 913 CB ILE A 58 6.911 -5.502 -2.792 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.433 -5.026 -2.942 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.028 -6.289 -1.456 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.417 -6.139 -3.195 1.00 0.00 C ATOM 0 H ILE A 58 7.654 -4.201 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 58 7.557 -3.596 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 58 7.183 -6.152 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.146 -4.492 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.379 -4.312 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.325 -7.122 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.043 -6.672 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.799 -5.626 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.420 -5.708 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.671 -6.661 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.434 -6.843 -2.363 1.00 0.00 H new ATOM 928 N VAL A 59 9.973 -3.923 -1.542 1.00 0.00 N ATOM 929 CA VAL A 59 11.307 -4.251 -0.964 1.00 0.00 C ATOM 930 C VAL A 59 11.234 -5.452 0.039 1.00 0.00 C ATOM 931 O VAL A 59 10.488 -5.422 1.024 1.00 0.00 O ATOM 932 CB VAL A 59 11.935 -2.945 -0.379 1.00 0.00 C ATOM 933 CG1 VAL A 59 11.242 -2.371 0.866 1.00 0.00 C ATOM 934 CG2 VAL A 59 13.436 -3.115 -0.061 1.00 0.00 C ATOM 0 H VAL A 59 9.552 -3.080 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 59 11.978 -4.611 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 59 11.785 -2.227 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.760 -1.467 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.206 -2.131 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.268 -3.108 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.830 -2.183 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.565 -3.911 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 59 13.974 -3.371 -0.973 1.00 0.00 H new ATOM 944 N SER A 60 12.018 -6.508 -0.214 1.00 0.00 N ATOM 945 CA SER A 60 11.984 -7.748 0.613 1.00 0.00 C ATOM 946 C SER A 60 12.825 -7.672 1.932 1.00 0.00 C ATOM 947 O SER A 60 13.880 -8.299 2.062 1.00 0.00 O ATOM 948 CB SER A 60 12.422 -8.902 -0.325 1.00 0.00 C ATOM 949 OG SER A 60 12.426 -10.155 0.360 1.00 0.00 O ATOM 0 H SER A 60 12.688 -6.540 -0.982 1.00 0.00 H new ATOM 0 HA SER A 60 10.976 -7.911 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.747 -8.955 -1.180 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.418 -8.696 -0.717 1.00 0.00 H new ATOM 0 HG SER A 60 12.705 -10.864 -0.257 1.00 0.00 H new ATOM 955 N GLY A 61 12.313 -6.930 2.921 1.00 0.00 N ATOM 956 CA GLY A 61 12.976 -6.788 4.239 1.00 0.00 C ATOM 957 C GLY A 61 12.537 -5.539 5.014 1.00 0.00 C ATOM 958 O GLY A 61 11.652 -5.613 5.868 1.00 0.00 O ATOM 0 H GLY A 61 11.437 -6.413 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.764 -7.672 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.055 -6.754 4.092 1.00 0.00 H new ATOM 962 N ALA A 62 13.156 -4.390 4.719 1.00 0.00 N ATOM 963 CA ALA A 62 12.813 -3.106 5.378 1.00 0.00 C ATOM 964 C ALA A 62 11.564 -2.418 4.745 1.00 0.00 C ATOM 965 O ALA A 62 11.683 -1.605 3.826 1.00 0.00 O ATOM 966 CB ALA A 62 14.076 -2.231 5.299 1.00 0.00 C ATOM 0 H ALA A 62 13.901 -4.314 4.027 1.00 0.00 H new ATOM 0 HA ALA A 62 12.523 -3.272 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.882 -1.268 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.897 -2.729 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.346 -2.075 4.255 1.00 0.00 H new ATOM 972 N SER A 63 10.365 -2.734 5.263 1.00 0.00 N ATOM 973 CA SER A 63 9.081 -2.296 4.639 1.00 0.00 C ATOM 974 C SER A 63 8.774 -0.767 4.444 1.00 0.00 C ATOM 975 O SER A 63 7.829 -0.463 3.713 1.00 0.00 O ATOM 976 CB SER A 63 7.933 -2.970 5.439 1.00 0.00 C ATOM 977 OG SER A 63 6.656 -2.714 4.843 1.00 0.00 O ATOM 0 H SER A 63 10.246 -3.290 6.110 1.00 0.00 H new ATOM 0 HA SER A 63 9.177 -2.611 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.104 -4.045 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.937 -2.601 6.465 1.00 0.00 H new ATOM 0 HG SER A 63 6.690 -1.870 4.347 1.00 0.00 H new ATOM 983 N ARG A 64 9.539 0.155 5.041 1.00 0.00 N ATOM 984 CA ARG A 64 9.503 1.597 4.665 1.00 0.00 C ATOM 985 C ARG A 64 10.313 2.045 3.387 1.00 0.00 C ATOM 986 O ARG A 64 10.468 3.244 3.158 1.00 0.00 O ATOM 987 CB ARG A 64 9.812 2.454 5.919 1.00 0.00 C ATOM 988 CG ARG A 64 11.213 2.322 6.538 1.00 0.00 C ATOM 989 CD ARG A 64 11.396 3.300 7.708 1.00 0.00 C ATOM 990 NE ARG A 64 12.735 3.075 8.298 1.00 0.00 N ATOM 991 CZ ARG A 64 13.260 3.765 9.296 1.00 0.00 C ATOM 992 NH1 ARG A 64 12.662 4.746 9.908 1.00 0.00 N ATOM 993 NH2 ARG A 64 14.445 3.438 9.682 1.00 0.00 N ATOM 0 H ARG A 64 10.197 -0.061 5.790 1.00 0.00 H new ATOM 0 HA ARG A 64 8.486 1.777 4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.656 3.501 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.080 2.204 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.365 1.301 6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.970 2.515 5.777 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.302 4.329 7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.620 3.145 8.458 1.00 0.00 H new ATOM 0 HE ARG A 64 13.300 2.324 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.724 5.028 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.132 5.233 10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.939 2.674 9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.889 3.943 10.449 1.00 0.00 H new ATOM 1006 N GLY A 65 10.728 1.115 2.513 1.00 0.00 N ATOM 1007 CA GLY A 65 11.013 1.426 1.085 1.00 0.00 C ATOM 1008 C GLY A 65 9.929 0.987 0.065 1.00 0.00 C ATOM 1009 O GLY A 65 10.267 0.474 -1.001 1.00 0.00 O ATOM 0 H GLY A 65 10.877 0.137 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.159 2.502 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.955 0.951 0.811 1.00 0.00 H new ATOM 1013 N ILE A 66 8.651 1.219 0.379 1.00 0.00 N ATOM 1014 CA ILE A 66 7.491 0.850 -0.494 1.00 0.00 C ATOM 1015 C ILE A 66 7.080 2.039 -1.422 1.00 0.00 C ATOM 1016 O ILE A 66 6.099 2.748 -1.185 1.00 0.00 O ATOM 1017 CB ILE A 66 6.378 0.225 0.418 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.210 -0.431 -0.366 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.753 1.153 1.484 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.603 -1.701 -1.113 1.00 0.00 C ATOM 0 H ILE A 66 8.371 1.671 1.250 1.00 0.00 H new ATOM 0 HA ILE A 66 7.743 0.076 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 66 6.965 -0.531 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.405 -0.665 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.814 0.291 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.999 0.604 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.531 1.502 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.288 2.009 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.733 -2.100 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.386 -1.471 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.970 -2.442 -0.403 1.00 0.00 H new ATOM 1032 N ARG A 67 7.871 2.279 -2.480 1.00 0.00 N ATOM 1033 CA ARG A 67 7.783 3.533 -3.281 1.00 0.00 C ATOM 1034 C ARG A 67 6.812 3.396 -4.494 1.00 0.00 C ATOM 1035 O ARG A 67 6.823 2.391 -5.213 1.00 0.00 O ATOM 1036 CB ARG A 67 9.205 3.941 -3.753 1.00 0.00 C ATOM 1037 CG ARG A 67 10.084 4.624 -2.684 1.00 0.00 C ATOM 1038 CD ARG A 67 9.710 6.091 -2.425 1.00 0.00 C ATOM 1039 NE ARG A 67 10.649 6.648 -1.423 1.00 0.00 N ATOM 1040 CZ ARG A 67 10.550 7.840 -0.854 1.00 0.00 C ATOM 1041 NH1 ARG A 67 9.600 8.696 -1.092 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.455 8.168 0.002 1.00 0.00 N ATOM 0 H ARG A 67 8.583 1.627 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 67 7.370 4.314 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.721 3.050 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.108 4.615 -4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.004 4.067 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.127 4.574 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.761 6.664 -3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.684 6.162 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 67 11.439 6.064 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.862 8.467 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.593 9.596 -0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.211 7.519 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.415 9.077 0.463 1.00 0.00 H new ATOM 1055 N LEU A 68 5.969 4.418 -4.697 1.00 0.00 N ATOM 1056 CA LEU A 68 4.851 4.355 -5.671 1.00 0.00 C ATOM 1057 C LEU A 68 5.155 4.896 -7.097 1.00 0.00 C ATOM 1058 O LEU A 68 5.827 5.911 -7.293 1.00 0.00 O ATOM 1059 CB LEU A 68 3.564 4.929 -5.016 1.00 0.00 C ATOM 1060 CG LEU A 68 3.483 6.430 -4.691 1.00 0.00 C ATOM 1061 CD1 LEU A 68 2.994 7.270 -5.879 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.497 6.652 -3.529 1.00 0.00 C ATOM 0 H LEU A 68 6.034 5.307 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 68 4.684 3.301 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.729 4.692 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.400 4.384 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 68 4.494 6.747 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.957 8.321 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.679 7.148 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.998 6.939 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.440 7.716 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.510 6.289 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.843 6.109 -2.650 1.00 0.00 H new ATOM 1074 N LEU A 69 4.581 4.208 -8.083 1.00 0.00 N ATOM 1075 CA LEU A 69 4.555 4.618 -9.503 1.00 0.00 C ATOM 1076 C LEU A 69 3.052 4.723 -9.922 1.00 0.00 C ATOM 1077 O LEU A 69 2.374 3.718 -10.138 1.00 0.00 O ATOM 1078 CB LEU A 69 5.409 3.694 -10.407 1.00 0.00 C ATOM 1079 CG LEU A 69 5.215 2.163 -10.334 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.524 1.520 -11.697 1.00 0.00 C ATOM 1081 CD2 LEU A 69 6.125 1.514 -9.281 1.00 0.00 C ATOM 0 H LEU A 69 4.104 3.321 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 69 5.028 5.591 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.234 3.996 -11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.456 3.901 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 69 4.175 1.993 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.383 0.441 -11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.852 1.928 -12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.556 1.735 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.954 0.438 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.168 1.712 -9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.901 1.931 -8.299 1.00 0.00 H new ATOM 1093 N GLN A 70 2.506 5.947 -9.945 1.00 0.00 N ATOM 1094 CA GLN A 70 1.024 6.161 -9.930 1.00 0.00 C ATOM 1095 C GLN A 70 0.315 5.905 -11.310 1.00 0.00 C ATOM 1096 O GLN A 70 0.065 6.812 -12.108 1.00 0.00 O ATOM 1097 CB GLN A 70 0.794 7.588 -9.365 1.00 0.00 C ATOM 1098 CG GLN A 70 -0.510 7.813 -8.574 1.00 0.00 C ATOM 1099 CD GLN A 70 -1.820 7.818 -9.334 1.00 0.00 C ATOM 1100 OE1 GLN A 70 -2.563 6.845 -9.357 1.00 0.00 O ATOM 1101 NE2 GLN A 70 -2.181 8.922 -9.934 1.00 0.00 N ATOM 0 H GLN A 70 3.051 6.808 -9.974 1.00 0.00 H new ATOM 0 HA GLN A 70 0.549 5.415 -9.293 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.634 7.838 -8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.814 8.292 -10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.572 7.039 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.423 8.768 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.566 9.736 -9.918 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.078 8.970 -10.418 1.00 0.00 H new ATOM 1110 N GLU A 71 -0.023 4.633 -11.536 1.00 0.00 N ATOM 1111 CA GLU A 71 -0.683 4.149 -12.782 1.00 0.00 C ATOM 1112 C GLU A 71 -2.219 4.434 -12.766 1.00 0.00 C ATOM 1113 O GLU A 71 -3.040 3.603 -12.362 1.00 0.00 O ATOM 1114 CB GLU A 71 -0.331 2.639 -12.870 1.00 0.00 C ATOM 1115 CG GLU A 71 -0.741 1.911 -14.164 1.00 0.00 C ATOM 1116 CD GLU A 71 -0.439 0.412 -14.097 1.00 0.00 C ATOM 1117 OE1 GLU A 71 0.525 -0.113 -14.642 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -1.362 -0.272 -13.363 1.00 0.00 O ATOM 0 H GLU A 71 0.150 3.890 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.330 4.673 -13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.747 2.532 -12.746 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.801 2.130 -12.029 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.806 2.059 -14.342 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.213 2.350 -15.010 1.00 0.00 H new ATOM 1126 N GLU A 72 -2.613 5.629 -13.227 1.00 0.00 N ATOM 1127 CA GLU A 72 -4.017 6.112 -13.095 1.00 0.00 C ATOM 1128 C GLU A 72 -4.974 5.479 -14.146 1.00 0.00 C ATOM 1129 O GLU A 72 -5.565 6.111 -15.019 1.00 0.00 O ATOM 1130 CB GLU A 72 -3.951 7.660 -13.119 1.00 0.00 C ATOM 1131 CG GLU A 72 -5.250 8.347 -12.649 1.00 0.00 C ATOM 1132 CD GLU A 72 -5.141 9.861 -12.591 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -5.449 10.610 -13.510 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -4.667 10.302 -11.394 1.00 0.00 O ATOM 0 H GLU A 72 -1.989 6.286 -13.695 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.463 5.788 -12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.127 7.989 -12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.724 7.989 -14.133 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.062 8.074 -13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.515 7.970 -11.661 1.00 0.00 H new TER 1142 GLU A 72