USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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: B 21 ASN : amide:sc= -0.328 K(o=-2.8,f=-4.2!) USER MOD Set 1.2: B 25 GLN :FLIP amide:sc= -2.43 F(o=-5.5!,f=-2.8) USER MOD Set 2.1: B 5 LYS NZ :NH3+ -139:sc= 0.461 (180deg=0) USER MOD Set 2.2: B 20 GLN : amide:sc= 1.09 K(o=1.5,f=-11!) USER MOD Set 3.1: A 7 GLN : amide:sc= -1.05 K(o=-1.8,f=-6.7!) USER MOD Set 3.2: B 1 MET CE :methyl -144:sc= -0.795 (180deg=-0.556) USER MOD Set 4.1: A 15 SER OG : rot 97:sc= 1.17 USER MOD Set 4.2: A 18 THR OG1 : rot -175:sc= 0.955 USER MOD Single : A 1 MET CE :methyl -176:sc= -3.65! (180deg=-4.05!) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.51 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.75 K(o=-1.7,f=-8.8!) USER MOD Single : A 5 LYS NZ :NH3+ 144:sc= -0.115 (180deg=-1.56!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0552 X(o=-0.055,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.4!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 25 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 27 MET CE :methyl 143:sc= -10.8! (180deg=-13.4!) USER MOD Single : A 41 TYR OH : rot 96:sc= -4.05! USER MOD Single : A 43 SER OG : rot -71:sc= -4.25! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -133:sc= 0.579 (180deg=-1.06) USER MOD Single : B 4 ASN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : B 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000941) USER MOD Single : B 7 GLN : amide:sc=-0.00499 X(o=-0.005,f=-0.005) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot -97:sc= 0.21 USER MOD Single : B 23 GLN : amide:sc= -5.58! C(o=-5.6!,f=-5.4!) USER MOD Single : B 27 MET CE :methyl -123:sc= -13.2! (180deg=-18.3!) USER MOD Single : B 41 TYR OH : rot 79:sc= -4.97! USER MOD Single : B 43 SER OG : rot -173:sc= -2.49 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.027 7.472 -2.615 1.00 0.00 N ATOM 2 CA MET A 1 -1.539 8.359 -3.700 1.00 0.00 C ATOM 3 C MET A 1 -3.036 8.141 -3.899 1.00 0.00 C ATOM 4 O MET A 1 -3.562 7.071 -3.664 1.00 0.00 O ATOM 5 CB MET A 1 -0.771 7.935 -4.957 1.00 0.00 C ATOM 6 CG MET A 1 -1.418 8.527 -6.217 1.00 0.00 C ATOM 7 SD MET A 1 -0.673 10.136 -6.578 1.00 0.00 S ATOM 8 CE MET A 1 0.560 9.543 -7.760 1.00 0.00 C ATOM 0 H1 MET A 1 -0.826 8.041 -1.768 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.743 6.753 -2.387 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.155 7.003 -2.932 1.00 0.00 H new ATOM 0 HA MET A 1 -1.396 9.414 -3.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.265 8.266 -4.885 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.754 6.847 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.279 7.852 -7.062 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.492 8.636 -6.070 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.196 10.373 -8.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.172 8.772 -7.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.057 9.126 -8.633 1.00 0.00 H new ATOM 20 N GLU A 2 -3.713 9.149 -4.355 1.00 0.00 N ATOM 21 CA GLU A 2 -5.171 9.024 -4.606 1.00 0.00 C ATOM 22 C GLU A 2 -5.464 9.542 -6.014 1.00 0.00 C ATOM 23 O GLU A 2 -5.743 10.708 -6.214 1.00 0.00 O ATOM 24 CB GLU A 2 -5.826 9.905 -3.546 1.00 0.00 C ATOM 25 CG GLU A 2 -5.649 9.256 -2.173 1.00 0.00 C ATOM 26 CD GLU A 2 -6.175 10.198 -1.089 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.107 10.933 -1.371 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.635 10.169 0.006 1.00 0.00 O ATOM 0 H GLU A 2 -3.316 10.064 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.541 8.000 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.376 10.898 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.886 10.033 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.185 8.307 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.596 9.035 -1.997 1.00 0.00 H new ATOM 35 N VAL A 3 -5.367 8.690 -6.997 1.00 0.00 N ATOM 36 CA VAL A 3 -5.600 9.137 -8.398 1.00 0.00 C ATOM 37 C VAL A 3 -7.080 8.999 -8.770 1.00 0.00 C ATOM 38 O VAL A 3 -7.851 8.370 -8.071 1.00 0.00 O ATOM 39 CB VAL A 3 -4.730 8.213 -9.264 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.336 8.041 -8.638 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.399 6.844 -9.391 1.00 0.00 C ATOM 0 H VAL A 3 -5.136 7.702 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.343 10.187 -8.540 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.622 8.664 -10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.734 7.383 -9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.850 9.013 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.435 7.604 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.779 6.192 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.518 6.404 -8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.378 6.959 -9.857 1.00 0.00 H new ATOM 51 N ASN A 4 -7.483 9.592 -9.863 1.00 0.00 N ATOM 52 CA ASN A 4 -8.915 9.505 -10.280 1.00 0.00 C ATOM 53 C ASN A 4 -9.076 8.533 -11.461 1.00 0.00 C ATOM 54 O ASN A 4 -8.124 7.943 -11.925 1.00 0.00 O ATOM 55 CB ASN A 4 -9.287 10.926 -10.706 1.00 0.00 C ATOM 56 CG ASN A 4 -8.256 11.445 -11.708 1.00 0.00 C ATOM 57 OD1 ASN A 4 -8.307 11.114 -12.876 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.315 12.249 -11.299 1.00 0.00 N ATOM 0 H ASN A 4 -6.883 10.133 -10.485 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.553 9.134 -9.478 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.281 10.934 -11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.324 11.580 -9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.622 12.600 -11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.272 12.527 -10.319 1.00 0.00 H new ATOM 65 N LYS A 5 -10.281 8.361 -11.937 1.00 0.00 N ATOM 66 CA LYS A 5 -10.531 7.417 -13.075 1.00 0.00 C ATOM 67 C LYS A 5 -9.515 7.603 -14.201 1.00 0.00 C ATOM 68 O LYS A 5 -9.191 6.670 -14.910 1.00 0.00 O ATOM 69 CB LYS A 5 -11.936 7.758 -13.562 1.00 0.00 C ATOM 70 CG LYS A 5 -12.933 6.744 -13.000 1.00 0.00 C ATOM 71 CD LYS A 5 -12.619 5.356 -13.563 1.00 0.00 C ATOM 72 CE LYS A 5 -13.840 4.819 -14.311 1.00 0.00 C ATOM 73 NZ LYS A 5 -14.109 5.816 -15.388 1.00 0.00 N ATOM 0 H LYS A 5 -11.112 8.837 -11.585 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.436 6.378 -12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.208 8.765 -13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.967 7.748 -14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.878 6.728 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.950 7.034 -13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.763 5.410 -14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.347 4.677 -12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.643 3.832 -14.729 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.697 4.718 -13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.442 5.324 -16.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.838 6.485 -15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.235 6.335 -15.607 1.00 0.00 H new ATOM 87 N LYS A 6 -9.010 8.785 -14.381 1.00 0.00 N ATOM 88 CA LYS A 6 -8.026 9.002 -15.461 1.00 0.00 C ATOM 89 C LYS A 6 -6.650 8.568 -14.990 1.00 0.00 C ATOM 90 O LYS A 6 -6.122 7.559 -15.413 1.00 0.00 O ATOM 91 CB LYS A 6 -8.060 10.503 -15.716 1.00 0.00 C ATOM 92 CG LYS A 6 -8.066 10.734 -17.213 1.00 0.00 C ATOM 93 CD LYS A 6 -8.785 12.044 -17.535 1.00 0.00 C ATOM 94 CE LYS A 6 -9.338 11.985 -18.961 1.00 0.00 C ATOM 95 NZ LYS A 6 -9.158 13.361 -19.501 1.00 0.00 N ATOM 0 H LYS A 6 -9.238 9.609 -13.825 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.251 8.432 -16.362 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.946 10.945 -15.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.194 10.985 -15.261 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.043 10.769 -17.588 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.562 9.904 -17.716 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.596 12.210 -16.826 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.097 12.883 -17.435 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.801 11.252 -19.563 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.388 11.693 -18.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.514 13.400 -20.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.686 14.037 -18.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.148 13.608 -19.491 1.00 0.00 H new ATOM 109 N GLN A 7 -6.076 9.322 -14.106 1.00 0.00 N ATOM 110 CA GLN A 7 -4.737 8.951 -13.583 1.00 0.00 C ATOM 111 C GLN A 7 -4.713 7.453 -13.286 1.00 0.00 C ATOM 112 O GLN A 7 -3.764 6.766 -13.585 1.00 0.00 O ATOM 113 CB GLN A 7 -4.572 9.751 -12.290 1.00 0.00 C ATOM 114 CG GLN A 7 -4.462 11.239 -12.613 1.00 0.00 C ATOM 115 CD GLN A 7 -2.987 11.645 -12.663 1.00 0.00 C ATOM 116 OE1 GLN A 7 -2.167 11.083 -11.964 1.00 0.00 O ATOM 117 NE2 GLN A 7 -2.613 12.605 -13.462 1.00 0.00 N ATOM 0 H GLN A 7 -6.473 10.179 -13.721 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.936 9.165 -14.291 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.422 9.574 -11.631 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.681 9.418 -11.757 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.941 11.450 -13.569 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.986 11.825 -11.858 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.301 13.077 -14.049 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.633 12.884 -13.500 1.00 0.00 H new ATOM 126 N LEU A 8 -5.770 6.941 -12.717 1.00 0.00 N ATOM 127 CA LEU A 8 -5.823 5.489 -12.405 1.00 0.00 C ATOM 128 C LEU A 8 -5.487 4.692 -13.655 1.00 0.00 C ATOM 129 O LEU A 8 -4.602 3.867 -13.653 1.00 0.00 O ATOM 130 CB LEU A 8 -7.266 5.225 -11.966 1.00 0.00 C ATOM 131 CG LEU A 8 -7.337 3.933 -11.151 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.799 3.505 -11.010 1.00 0.00 C ATOM 133 CD2 LEU A 8 -6.553 2.830 -11.864 1.00 0.00 C ATOM 0 H LEU A 8 -6.602 7.470 -12.455 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.112 5.198 -11.632 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.632 6.061 -11.370 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.913 5.149 -12.840 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.906 4.103 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.854 2.584 -10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.360 4.289 -10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.226 3.337 -11.999 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.606 1.911 -11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.982 2.658 -12.851 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.511 3.134 -11.969 1.00 0.00 H new ATOM 145 N ALA A 9 -6.168 4.941 -14.733 1.00 0.00 N ATOM 146 CA ALA A 9 -5.847 4.182 -15.977 1.00 0.00 C ATOM 147 C ALA A 9 -4.446 4.575 -16.452 1.00 0.00 C ATOM 148 O ALA A 9 -3.724 3.781 -17.021 1.00 0.00 O ATOM 149 CB ALA A 9 -6.908 4.577 -16.999 1.00 0.00 C ATOM 0 H ALA A 9 -6.921 5.624 -14.812 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.852 3.103 -15.822 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.725 4.051 -17.936 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.895 4.311 -16.620 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.864 5.652 -17.172 1.00 0.00 H new ATOM 155 N ASP A 10 -4.051 5.793 -16.196 1.00 0.00 N ATOM 156 CA ASP A 10 -2.689 6.244 -16.601 1.00 0.00 C ATOM 157 C ASP A 10 -1.638 5.498 -15.779 1.00 0.00 C ATOM 158 O ASP A 10 -0.622 5.065 -16.287 1.00 0.00 O ATOM 159 CB ASP A 10 -2.651 7.736 -16.274 1.00 0.00 C ATOM 160 CG ASP A 10 -3.382 8.517 -17.366 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.579 8.326 -17.504 1.00 0.00 O ATOM 162 OD2 ASP A 10 -2.732 9.291 -18.049 1.00 0.00 O ATOM 0 H ASP A 10 -4.616 6.498 -15.722 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.482 6.053 -17.654 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.119 7.919 -15.307 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.618 8.076 -16.198 1.00 0.00 H new ATOM 167 N ILE A 11 -1.881 5.345 -14.506 1.00 0.00 N ATOM 168 CA ILE A 11 -0.909 4.627 -13.631 1.00 0.00 C ATOM 169 C ILE A 11 -0.512 3.301 -14.261 1.00 0.00 C ATOM 170 O ILE A 11 0.649 3.033 -14.505 1.00 0.00 O ATOM 171 CB ILE A 11 -1.675 4.369 -12.334 1.00 0.00 C ATOM 172 CG1 ILE A 11 -2.248 5.699 -11.823 1.00 0.00 C ATOM 173 CG2 ILE A 11 -0.744 3.731 -11.296 1.00 0.00 C ATOM 174 CD1 ILE A 11 -1.578 6.121 -10.517 1.00 0.00 C ATOM 0 H ILE A 11 -2.716 5.688 -14.031 1.00 0.00 H new ATOM 0 HA ILE A 11 0.005 5.200 -13.475 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.497 3.677 -12.514 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.104 6.474 -12.576 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.322 5.600 -11.669 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.297 3.550 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.362 2.786 -11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.090 4.403 -11.093 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.003 7.066 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.745 5.356 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.507 6.243 -10.680 1.00 0.00 H new ATOM 186 N PHE A 12 -1.472 2.472 -14.525 1.00 0.00 N ATOM 187 CA PHE A 12 -1.166 1.159 -15.137 1.00 0.00 C ATOM 188 C PHE A 12 -1.063 1.319 -16.651 1.00 0.00 C ATOM 189 O PHE A 12 -0.972 0.352 -17.382 1.00 0.00 O ATOM 190 CB PHE A 12 -2.351 0.254 -14.778 1.00 0.00 C ATOM 191 CG PHE A 12 -2.608 0.278 -13.283 1.00 0.00 C ATOM 192 CD1 PHE A 12 -3.333 1.329 -12.709 1.00 0.00 C ATOM 193 CD2 PHE A 12 -2.133 -0.760 -12.472 1.00 0.00 C ATOM 194 CE1 PHE A 12 -3.583 1.345 -11.337 1.00 0.00 C ATOM 195 CE2 PHE A 12 -2.384 -0.742 -11.096 1.00 0.00 C ATOM 196 CZ PHE A 12 -3.111 0.310 -10.529 1.00 0.00 C ATOM 0 H PHE A 12 -2.460 2.647 -14.343 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.223 0.744 -14.781 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.242 0.585 -15.311 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.147 -0.767 -15.101 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.701 2.131 -13.332 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.573 -1.574 -12.909 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.142 2.159 -10.900 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.016 -1.542 -10.470 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.307 0.321 -9.467 1.00 0.00 H new ATOM 206 N GLY A 13 -1.105 2.534 -17.137 1.00 0.00 N ATOM 207 CA GLY A 13 -1.040 2.732 -18.607 1.00 0.00 C ATOM 208 C GLY A 13 -2.174 1.923 -19.220 1.00 0.00 C ATOM 209 O GLY A 13 -2.158 1.573 -20.384 1.00 0.00 O ATOM 0 H GLY A 13 -1.181 3.386 -16.582 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.141 3.788 -18.858 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.077 2.402 -18.998 1.00 0.00 H new ATOM 213 N ALA A 14 -3.162 1.618 -18.423 1.00 0.00 N ATOM 214 CA ALA A 14 -4.311 0.823 -18.913 1.00 0.00 C ATOM 215 C ALA A 14 -5.281 1.715 -19.674 1.00 0.00 C ATOM 216 O ALA A 14 -4.965 2.824 -20.059 1.00 0.00 O ATOM 217 CB ALA A 14 -4.997 0.313 -17.643 1.00 0.00 C ATOM 0 H ALA A 14 -3.217 1.892 -17.442 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.997 0.022 -19.583 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.864 -0.289 -17.915 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.297 -0.296 -17.071 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.319 1.161 -17.038 1.00 0.00 H new ATOM 223 N SER A 15 -6.480 1.249 -19.843 1.00 0.00 N ATOM 224 CA SER A 15 -7.512 2.064 -20.521 1.00 0.00 C ATOM 225 C SER A 15 -8.559 2.420 -19.490 1.00 0.00 C ATOM 226 O SER A 15 -9.015 1.583 -18.739 1.00 0.00 O ATOM 227 CB SER A 15 -8.111 1.177 -21.605 1.00 0.00 C ATOM 228 OG SER A 15 -7.676 -0.162 -21.418 1.00 0.00 O ATOM 0 H SER A 15 -6.791 0.327 -19.536 1.00 0.00 H new ATOM 0 HA SER A 15 -7.116 2.980 -20.959 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.199 1.225 -21.568 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.809 1.534 -22.590 1.00 0.00 H new ATOM 0 HG SER A 15 -8.365 -0.666 -20.936 1.00 0.00 H new ATOM 234 N ILE A 16 -8.946 3.647 -19.435 1.00 0.00 N ATOM 235 CA ILE A 16 -9.972 4.025 -18.437 1.00 0.00 C ATOM 236 C ILE A 16 -11.146 3.073 -18.590 1.00 0.00 C ATOM 237 O ILE A 16 -11.891 2.815 -17.666 1.00 0.00 O ATOM 238 CB ILE A 16 -10.363 5.452 -18.784 1.00 0.00 C ATOM 239 CG1 ILE A 16 -9.078 6.276 -18.982 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.207 6.007 -17.641 1.00 0.00 C ATOM 241 CD1 ILE A 16 -9.266 7.715 -18.510 1.00 0.00 C ATOM 0 H ILE A 16 -8.604 4.403 -20.029 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.625 3.966 -17.405 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.947 5.495 -19.704 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.258 5.814 -18.431 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.798 6.270 -20.035 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.499 7.032 -17.869 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.100 5.394 -17.517 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.626 5.992 -16.719 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.341 8.272 -18.663 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.069 8.183 -19.079 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.522 7.720 -17.450 1.00 0.00 H new ATOM 253 N ARG A 17 -11.278 2.510 -19.756 1.00 0.00 N ATOM 254 CA ARG A 17 -12.364 1.523 -19.985 1.00 0.00 C ATOM 255 C ARG A 17 -12.045 0.310 -19.137 1.00 0.00 C ATOM 256 O ARG A 17 -12.907 -0.315 -18.551 1.00 0.00 O ATOM 257 CB ARG A 17 -12.310 1.111 -21.460 1.00 0.00 C ATOM 258 CG ARG A 17 -11.731 2.212 -22.335 1.00 0.00 C ATOM 259 CD ARG A 17 -12.383 3.549 -21.985 1.00 0.00 C ATOM 260 NE ARG A 17 -12.726 4.160 -23.298 1.00 0.00 N ATOM 261 CZ ARG A 17 -13.869 3.888 -23.867 1.00 0.00 C ATOM 262 NH1 ARG A 17 -13.975 2.853 -24.654 1.00 0.00 N ATOM 263 NH2 ARG A 17 -14.905 4.649 -23.646 1.00 0.00 N ATOM 0 H ARG A 17 -10.679 2.692 -20.561 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.344 1.930 -19.736 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.706 0.210 -21.563 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.314 0.863 -21.805 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.652 2.274 -22.191 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.899 1.979 -23.387 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.272 3.407 -21.371 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.702 4.185 -21.419 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.067 4.792 -23.754 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.165 2.257 -24.824 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.868 2.640 -25.099 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.822 5.457 -23.029 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.798 4.436 -24.091 1.00 0.00 H new ATOM 277 N THR A 18 -10.786 -0.013 -19.056 1.00 0.00 N ATOM 278 CA THR A 18 -10.374 -1.160 -18.237 1.00 0.00 C ATOM 279 C THR A 18 -10.633 -0.787 -16.790 1.00 0.00 C ATOM 280 O THR A 18 -11.053 -1.596 -15.986 1.00 0.00 O ATOM 281 CB THR A 18 -8.881 -1.340 -18.511 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.698 -1.752 -19.858 1.00 0.00 O ATOM 283 CG2 THR A 18 -8.297 -2.395 -17.566 1.00 0.00 C ATOM 0 H THR A 18 -10.027 0.478 -19.529 1.00 0.00 H new ATOM 0 HA THR A 18 -10.908 -2.084 -18.458 1.00 0.00 H new ATOM 0 HB THR A 18 -8.368 -0.393 -18.344 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.750 -1.944 -20.016 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.233 -2.516 -17.769 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.435 -2.075 -16.533 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.807 -3.346 -17.722 1.00 0.00 H new ATOM 291 N ILE A 19 -10.417 0.461 -16.463 1.00 0.00 N ATOM 292 CA ILE A 19 -10.686 0.911 -15.081 1.00 0.00 C ATOM 293 C ILE A 19 -12.157 0.657 -14.766 1.00 0.00 C ATOM 294 O ILE A 19 -12.532 0.400 -13.639 1.00 0.00 O ATOM 295 CB ILE A 19 -10.391 2.406 -15.072 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.942 2.639 -15.495 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.599 2.947 -13.661 1.00 0.00 C ATOM 298 CD1 ILE A 19 -8.025 1.780 -14.629 1.00 0.00 C ATOM 0 H ILE A 19 -10.067 1.180 -17.097 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.082 0.388 -14.340 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.059 2.917 -15.765 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.812 2.385 -16.547 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.683 3.692 -15.387 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.390 4.017 -13.647 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.631 2.775 -13.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.926 2.436 -12.973 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.989 1.941 -14.925 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.150 2.056 -13.582 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.281 0.729 -14.760 1.00 0.00 H new ATOM 310 N GLN A 20 -12.990 0.701 -15.773 1.00 0.00 N ATOM 311 CA GLN A 20 -14.432 0.433 -15.553 1.00 0.00 C ATOM 312 C GLN A 20 -14.592 -1.059 -15.309 1.00 0.00 C ATOM 313 O GLN A 20 -15.515 -1.503 -14.656 1.00 0.00 O ATOM 314 CB GLN A 20 -15.130 0.853 -16.848 1.00 0.00 C ATOM 315 CG GLN A 20 -14.977 2.362 -17.046 1.00 0.00 C ATOM 316 CD GLN A 20 -16.351 2.987 -17.293 1.00 0.00 C ATOM 317 OE1 GLN A 20 -16.596 3.551 -18.342 1.00 0.00 O ATOM 318 NE2 GLN A 20 -17.265 2.910 -16.365 1.00 0.00 N ATOM 0 H GLN A 20 -12.729 0.911 -16.736 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.851 0.970 -14.702 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.699 0.319 -17.695 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.186 0.586 -16.807 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.515 2.810 -16.166 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.317 2.564 -17.890 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.060 2.437 -15.485 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.185 3.323 -16.520 1.00 0.00 H new ATOM 327 N ASN A 21 -13.669 -1.833 -15.813 1.00 0.00 N ATOM 328 CA ASN A 21 -13.735 -3.295 -15.588 1.00 0.00 C ATOM 329 C ASN A 21 -13.117 -3.599 -14.230 1.00 0.00 C ATOM 330 O ASN A 21 -13.422 -4.589 -13.594 1.00 0.00 O ATOM 331 CB ASN A 21 -12.923 -3.923 -16.716 1.00 0.00 C ATOM 332 CG ASN A 21 -13.687 -5.116 -17.292 1.00 0.00 C ATOM 333 OD1 ASN A 21 -14.612 -5.613 -16.681 1.00 0.00 O ATOM 334 ND2 ASN A 21 -13.339 -5.596 -18.454 1.00 0.00 N ATOM 0 H ASN A 21 -12.876 -1.512 -16.369 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.753 -3.684 -15.588 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.736 -3.186 -17.497 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.951 -4.246 -16.343 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.844 -6.389 -18.850 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.562 -5.178 -18.966 1.00 0.00 H new ATOM 341 N TRP A 22 -12.268 -2.724 -13.771 1.00 0.00 N ATOM 342 CA TRP A 22 -11.643 -2.916 -12.443 1.00 0.00 C ATOM 343 C TRP A 22 -12.678 -2.586 -11.376 1.00 0.00 C ATOM 344 O TRP A 22 -12.936 -3.362 -10.477 1.00 0.00 O ATOM 345 CB TRP A 22 -10.492 -1.910 -12.404 1.00 0.00 C ATOM 346 CG TRP A 22 -9.358 -2.412 -13.231 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.423 -3.453 -14.087 1.00 0.00 C ATOM 348 CD2 TRP A 22 -7.991 -1.920 -13.285 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.182 -3.628 -14.667 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.266 -2.708 -14.206 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.317 -0.875 -12.633 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -5.918 -2.470 -14.471 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -5.960 -0.632 -12.896 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.262 -1.427 -13.814 1.00 0.00 C ATOM 0 H TRP A 22 -11.981 -1.879 -14.266 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.290 -3.932 -12.270 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.828 -0.943 -12.779 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.165 -1.757 -11.376 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.300 -4.051 -14.286 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.969 -4.351 -15.354 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.846 -0.254 -11.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.385 -3.088 -15.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.451 0.173 -12.387 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.218 -1.234 -14.013 1.00 0.00 H new ATOM 365 N GLN A 23 -13.278 -1.432 -11.481 1.00 0.00 N ATOM 366 CA GLN A 23 -14.303 -1.031 -10.489 1.00 0.00 C ATOM 367 C GLN A 23 -15.280 -2.186 -10.286 1.00 0.00 C ATOM 368 O GLN A 23 -15.902 -2.316 -9.250 1.00 0.00 O ATOM 369 CB GLN A 23 -14.995 0.179 -11.117 1.00 0.00 C ATOM 370 CG GLN A 23 -15.268 1.227 -10.040 1.00 0.00 C ATOM 371 CD GLN A 23 -15.941 2.448 -10.672 1.00 0.00 C ATOM 372 OE1 GLN A 23 -15.579 2.863 -11.755 1.00 0.00 O ATOM 373 NE2 GLN A 23 -16.916 3.043 -10.038 1.00 0.00 N ATOM 0 H GLN A 23 -13.098 -0.749 -12.217 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.889 -0.787 -9.511 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.368 0.603 -11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.930 -0.127 -11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.908 0.807 -9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.335 1.521 -9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.220 2.695 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.373 3.855 -10.452 1.00 0.00 H new ATOM 382 N GLU A 24 -15.407 -3.035 -11.271 1.00 0.00 N ATOM 383 CA GLU A 24 -16.334 -4.195 -11.137 1.00 0.00 C ATOM 384 C GLU A 24 -15.548 -5.460 -10.773 1.00 0.00 C ATOM 385 O GLU A 24 -16.014 -6.566 -10.964 1.00 0.00 O ATOM 386 CB GLU A 24 -16.987 -4.349 -12.512 1.00 0.00 C ATOM 387 CG GLU A 24 -17.523 -2.995 -12.982 1.00 0.00 C ATOM 388 CD GLU A 24 -18.094 -3.134 -14.396 1.00 0.00 C ATOM 389 OE1 GLU A 24 -18.733 -4.139 -14.657 1.00 0.00 O ATOM 390 OE2 GLU A 24 -17.884 -2.233 -15.190 1.00 0.00 O ATOM 0 H GLU A 24 -14.910 -2.975 -12.160 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.074 -4.041 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.261 -4.733 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -17.799 -5.075 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.296 -2.641 -12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.725 -2.253 -12.972 1.00 0.00 H new ATOM 397 N GLN A 25 -14.359 -5.308 -10.252 1.00 0.00 N ATOM 398 CA GLN A 25 -13.546 -6.504 -9.879 1.00 0.00 C ATOM 399 C GLN A 25 -13.045 -6.383 -8.440 1.00 0.00 C ATOM 400 O GLN A 25 -11.964 -6.829 -8.109 1.00 0.00 O ATOM 401 CB GLN A 25 -12.373 -6.505 -10.854 1.00 0.00 C ATOM 402 CG GLN A 25 -12.861 -6.996 -12.213 1.00 0.00 C ATOM 403 CD GLN A 25 -12.603 -8.500 -12.338 1.00 0.00 C ATOM 404 OE1 GLN A 25 -13.529 -9.286 -12.363 1.00 0.00 O ATOM 405 NE2 GLN A 25 -11.375 -8.938 -12.416 1.00 0.00 N ATOM 0 H GLN A 25 -13.915 -4.408 -10.069 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.125 -7.426 -9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.956 -5.502 -10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.576 -7.150 -10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.925 -6.789 -12.325 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.346 -6.461 -13.011 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.596 -8.279 -12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.195 -9.939 -12.498 1.00 0.00 H new ATOM 414 N GLY A 26 -13.819 -5.779 -7.585 1.00 0.00 N ATOM 415 CA GLY A 26 -13.382 -5.622 -6.166 1.00 0.00 C ATOM 416 C GLY A 26 -12.345 -4.502 -6.090 1.00 0.00 C ATOM 417 O GLY A 26 -11.494 -4.477 -5.223 1.00 0.00 O ATOM 0 H GLY A 26 -14.735 -5.387 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.237 -5.388 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.957 -6.555 -5.797 1.00 0.00 H new ATOM 421 N MET A 27 -12.412 -3.582 -7.007 1.00 0.00 N ATOM 422 CA MET A 27 -11.441 -2.452 -7.032 1.00 0.00 C ATOM 423 C MET A 27 -11.382 -1.733 -5.684 1.00 0.00 C ATOM 424 O MET A 27 -12.402 -1.433 -5.095 1.00 0.00 O ATOM 425 CB MET A 27 -12.006 -1.511 -8.085 1.00 0.00 C ATOM 426 CG MET A 27 -11.105 -1.512 -9.313 1.00 0.00 C ATOM 427 SD MET A 27 -9.613 -0.571 -8.965 1.00 0.00 S ATOM 428 CE MET A 27 -10.382 1.042 -9.208 1.00 0.00 C ATOM 0 H MET A 27 -13.108 -3.563 -7.752 1.00 0.00 H new ATOM 0 HA MET A 27 -10.427 -2.792 -7.244 1.00 0.00 H new ATOM 0 HB2 MET A 27 -13.013 -1.822 -8.361 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.084 -0.502 -7.680 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.847 -2.535 -9.586 1.00 0.00 H new ATOM 0 HG3 MET A 27 -11.631 -1.078 -10.163 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.974 1.752 -8.489 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.179 1.393 -10.220 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.459 0.957 -9.063 1.00 0.00 H new ATOM 438 N PRO A 28 -10.182 -1.453 -5.253 1.00 0.00 N ATOM 439 CA PRO A 28 -9.983 -0.731 -3.987 1.00 0.00 C ATOM 440 C PRO A 28 -10.036 0.781 -4.233 1.00 0.00 C ATOM 441 O PRO A 28 -9.124 1.516 -3.889 1.00 0.00 O ATOM 442 CB PRO A 28 -8.592 -1.167 -3.548 1.00 0.00 C ATOM 443 CG PRO A 28 -7.876 -1.574 -4.804 1.00 0.00 C ATOM 444 CD PRO A 28 -8.908 -1.784 -5.891 1.00 0.00 C ATOM 0 HA PRO A 28 -10.744 -0.945 -3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.068 -0.354 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.646 -1.996 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.163 -0.805 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.308 -2.489 -4.638 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.716 -1.142 -6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.900 -2.812 -6.253 1.00 0.00 H new ATOM 452 N VAL A 29 -11.102 1.258 -4.822 1.00 0.00 N ATOM 453 CA VAL A 29 -11.200 2.720 -5.067 1.00 0.00 C ATOM 454 C VAL A 29 -11.260 3.440 -3.721 1.00 0.00 C ATOM 455 O VAL A 29 -11.672 2.878 -2.725 1.00 0.00 O ATOM 456 CB VAL A 29 -12.477 2.949 -5.879 1.00 0.00 C ATOM 457 CG1 VAL A 29 -12.646 1.893 -6.963 1.00 0.00 C ATOM 458 CG2 VAL A 29 -13.656 2.867 -4.963 1.00 0.00 C ATOM 0 H VAL A 29 -11.897 0.704 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.341 3.106 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.406 3.929 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.563 2.087 -7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.794 1.929 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.702 0.906 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.571 3.029 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.688 1.882 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.570 3.631 -4.190 1.00 0.00 H new ATOM 468 N LEU A 30 -10.837 4.664 -3.675 1.00 0.00 N ATOM 469 CA LEU A 30 -10.850 5.405 -2.389 1.00 0.00 C ATOM 470 C LEU A 30 -12.272 5.722 -1.944 1.00 0.00 C ATOM 471 O LEU A 30 -12.781 5.159 -0.994 1.00 0.00 O ATOM 472 CB LEU A 30 -10.097 6.690 -2.689 1.00 0.00 C ATOM 473 CG LEU A 30 -8.902 6.779 -1.760 1.00 0.00 C ATOM 474 CD1 LEU A 30 -7.765 5.944 -2.331 1.00 0.00 C ATOM 475 CD2 LEU A 30 -8.470 8.238 -1.628 1.00 0.00 C ATOM 0 H LEU A 30 -10.481 5.188 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.401 4.825 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.770 6.703 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.749 7.552 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.167 6.398 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.902 6.003 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.085 4.906 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.493 6.324 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.611 8.304 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.198 8.627 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.293 8.826 -1.220 1.00 0.00 H new ATOM 606 N LEU A 40 -12.652 7.837 -6.324 1.00 0.00 N ATOM 607 CA LEU A 40 -11.184 7.978 -6.436 1.00 0.00 C ATOM 608 C LEU A 40 -10.536 6.610 -6.320 1.00 0.00 C ATOM 609 O LEU A 40 -11.208 5.603 -6.255 1.00 0.00 O ATOM 610 CB LEU A 40 -10.794 8.845 -5.249 1.00 0.00 C ATOM 611 CG LEU A 40 -9.682 9.788 -5.660 1.00 0.00 C ATOM 612 CD1 LEU A 40 -10.140 10.564 -6.887 1.00 0.00 C ATOM 613 CD2 LEU A 40 -9.395 10.745 -4.509 1.00 0.00 C ATOM 0 HA LEU A 40 -10.869 8.412 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.657 9.412 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.467 8.219 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.773 9.235 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.352 11.250 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.357 9.868 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.039 11.131 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.595 11.428 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.294 11.315 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.090 10.176 -3.631 1.00 0.00 H new ATOM 625 N TYR A 41 -9.241 6.551 -6.295 1.00 0.00 N ATOM 626 CA TYR A 41 -8.604 5.217 -6.186 1.00 0.00 C ATOM 627 C TYR A 41 -7.274 5.300 -5.454 1.00 0.00 C ATOM 628 O TYR A 41 -6.401 6.062 -5.818 1.00 0.00 O ATOM 629 CB TYR A 41 -8.371 4.766 -7.630 1.00 0.00 C ATOM 630 CG TYR A 41 -9.649 4.847 -8.442 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.692 3.940 -8.210 1.00 0.00 C ATOM 632 CD2 TYR A 41 -9.773 5.802 -9.465 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.849 3.984 -8.999 1.00 0.00 C ATOM 634 CE2 TYR A 41 -10.937 5.846 -10.237 1.00 0.00 C ATOM 635 CZ TYR A 41 -11.970 4.938 -10.010 1.00 0.00 C ATOM 636 OH TYR A 41 -13.100 4.970 -10.802 1.00 0.00 O ATOM 0 H TYR A 41 -8.607 7.348 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.231 4.525 -5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.605 5.390 -8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.996 3.743 -7.638 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.604 3.206 -7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.971 6.500 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.648 3.279 -8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.037 6.589 -11.015 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.731 5.629 -10.445 1.00 0.00 H new ATOM 646 N ASP A 42 -7.094 4.495 -4.446 1.00 0.00 N ATOM 647 CA ASP A 42 -5.795 4.517 -3.736 1.00 0.00 C ATOM 648 C ASP A 42 -4.769 3.915 -4.677 1.00 0.00 C ATOM 649 O ASP A 42 -4.520 2.730 -4.659 1.00 0.00 O ATOM 650 CB ASP A 42 -5.973 3.646 -2.498 1.00 0.00 C ATOM 651 CG ASP A 42 -5.063 4.154 -1.378 1.00 0.00 C ATOM 652 OD1 ASP A 42 -4.989 5.359 -1.202 1.00 0.00 O ATOM 653 OD2 ASP A 42 -4.456 3.330 -0.714 1.00 0.00 O ATOM 0 H ASP A 42 -7.782 3.832 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.472 5.516 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.013 3.667 -2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.733 2.609 -2.733 1.00 0.00 H new ATOM 658 N SER A 43 -4.217 4.724 -5.532 1.00 0.00 N ATOM 659 CA SER A 43 -3.234 4.220 -6.527 1.00 0.00 C ATOM 660 C SER A 43 -2.398 3.080 -5.957 1.00 0.00 C ATOM 661 O SER A 43 -2.007 2.183 -6.674 1.00 0.00 O ATOM 662 CB SER A 43 -2.351 5.416 -6.844 1.00 0.00 C ATOM 663 OG SER A 43 -1.356 5.026 -7.775 1.00 0.00 O ATOM 0 H SER A 43 -4.407 5.725 -5.585 1.00 0.00 H new ATOM 0 HA SER A 43 -3.730 3.820 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.951 6.228 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.886 5.792 -5.933 1.00 0.00 H new ATOM 0 HG SER A 43 -0.707 4.439 -7.334 1.00 0.00 H new ATOM 669 N ALA A 44 -2.126 3.084 -4.683 1.00 0.00 N ATOM 670 CA ALA A 44 -1.311 1.962 -4.124 1.00 0.00 C ATOM 671 C ALA A 44 -2.213 0.768 -3.839 1.00 0.00 C ATOM 672 O ALA A 44 -1.838 -0.369 -4.025 1.00 0.00 O ATOM 673 CB ALA A 44 -0.674 2.470 -2.834 1.00 0.00 C ATOM 0 H ALA A 44 -2.423 3.796 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.542 1.642 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.068 1.679 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.043 3.331 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.456 2.763 -2.133 1.00 0.00 H new ATOM 679 N ALA A 45 -3.414 1.013 -3.411 1.00 0.00 N ATOM 680 CA ALA A 45 -4.332 -0.121 -3.155 1.00 0.00 C ATOM 681 C ALA A 45 -4.847 -0.620 -4.500 1.00 0.00 C ATOM 682 O ALA A 45 -5.190 -1.773 -4.665 1.00 0.00 O ATOM 683 CB ALA A 45 -5.467 0.447 -2.306 1.00 0.00 C ATOM 0 H ALA A 45 -3.797 1.941 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.856 -0.956 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.183 -0.343 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.061 0.845 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.968 1.245 -2.855 1.00 0.00 H new ATOM 689 N VAL A 46 -4.878 0.255 -5.472 1.00 0.00 N ATOM 690 CA VAL A 46 -5.345 -0.150 -6.824 1.00 0.00 C ATOM 691 C VAL A 46 -4.317 -1.089 -7.461 1.00 0.00 C ATOM 692 O VAL A 46 -4.616 -1.776 -8.411 1.00 0.00 O ATOM 693 CB VAL A 46 -5.450 1.147 -7.636 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.850 0.825 -9.079 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.513 2.057 -7.026 1.00 0.00 C ATOM 0 H VAL A 46 -4.599 1.232 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.299 -0.675 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.482 1.648 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.923 1.750 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.097 0.178 -9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.815 0.318 -9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.582 2.976 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.477 1.548 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.240 2.297 -5.999 1.00 0.00 H new ATOM 705 N ILE A 47 -3.109 -1.136 -6.945 1.00 0.00 N ATOM 706 CA ILE A 47 -2.093 -2.057 -7.557 1.00 0.00 C ATOM 707 C ILE A 47 -2.014 -3.368 -6.806 1.00 0.00 C ATOM 708 O ILE A 47 -2.219 -4.420 -7.374 1.00 0.00 O ATOM 709 CB ILE A 47 -0.724 -1.384 -7.529 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.623 -0.313 -6.444 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.496 -0.770 -8.886 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.589 0.583 -6.706 1.00 0.00 C ATOM 0 H ILE A 47 -2.787 -0.591 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.397 -2.266 -8.583 1.00 0.00 H new ATOM 0 HB ILE A 47 0.036 -2.130 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.533 0.287 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.534 -0.783 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.476 -0.278 -8.904 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.522 -1.550 -9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.277 -0.038 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.654 1.344 -5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.496 -0.021 -6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.482 1.066 -7.677 1.00 0.00 H new ATOM 724 N LYS A 48 -1.713 -3.331 -5.541 1.00 0.00 N ATOM 725 CA LYS A 48 -1.630 -4.600 -4.784 1.00 0.00 C ATOM 726 C LYS A 48 -2.844 -5.461 -5.169 1.00 0.00 C ATOM 727 O LYS A 48 -2.801 -6.678 -5.177 1.00 0.00 O ATOM 728 CB LYS A 48 -1.669 -4.173 -3.306 1.00 0.00 C ATOM 729 CG LYS A 48 -2.363 -5.247 -2.460 1.00 0.00 C ATOM 730 CD LYS A 48 -2.131 -4.962 -0.976 1.00 0.00 C ATOM 731 CE LYS A 48 -2.961 -3.747 -0.558 1.00 0.00 C ATOM 732 NZ LYS A 48 -4.290 -4.300 -0.174 1.00 0.00 N ATOM 0 H LYS A 48 -1.523 -2.484 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.736 -5.190 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.655 -4.011 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.198 -3.225 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.431 -5.259 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.975 -6.233 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.410 -5.830 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.073 -4.775 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.497 -3.220 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.053 -3.032 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.915 -3.525 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.711 -4.790 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.173 -4.972 0.611 1.00 0.00 H new ATOM 746 N TRP A 49 -3.917 -4.801 -5.516 1.00 0.00 N ATOM 747 CA TRP A 49 -5.165 -5.505 -5.931 1.00 0.00 C ATOM 748 C TRP A 49 -5.147 -5.763 -7.448 1.00 0.00 C ATOM 749 O TRP A 49 -5.770 -6.683 -7.939 1.00 0.00 O ATOM 750 CB TRP A 49 -6.269 -4.521 -5.539 1.00 0.00 C ATOM 751 CG TRP A 49 -7.498 -4.741 -6.357 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.609 -5.377 -5.926 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.766 -4.328 -7.729 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.549 -5.373 -6.940 1.00 0.00 N ATOM 755 CE2 TRP A 49 -9.075 -4.740 -8.074 1.00 0.00 C ATOM 756 CE3 TRP A 49 -7.009 -3.643 -8.700 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.617 -4.477 -9.331 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.554 -3.382 -9.969 1.00 0.00 C ATOM 759 CH2 TRP A 49 -8.854 -3.798 -10.281 1.00 0.00 C ATOM 0 H TRP A 49 -3.982 -3.783 -5.529 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.296 -6.482 -5.466 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.506 -4.638 -4.482 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.915 -3.499 -5.675 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.741 -5.817 -4.949 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.478 -5.786 -6.861 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.006 -3.317 -8.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.621 -4.797 -9.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.966 -2.857 -10.708 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.266 -3.593 -11.258 1.00 0.00 H new ATOM 770 N TYR A 50 -4.428 -4.958 -8.185 1.00 0.00 N ATOM 771 CA TYR A 50 -4.343 -5.151 -9.664 1.00 0.00 C ATOM 772 C TYR A 50 -3.191 -6.105 -9.982 1.00 0.00 C ATOM 773 O TYR A 50 -3.236 -6.864 -10.931 1.00 0.00 O ATOM 774 CB TYR A 50 -4.066 -3.744 -10.217 1.00 0.00 C ATOM 775 CG TYR A 50 -3.139 -3.800 -11.415 1.00 0.00 C ATOM 776 CD1 TYR A 50 -1.752 -3.896 -11.225 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.666 -3.754 -12.709 1.00 0.00 C ATOM 778 CE1 TYR A 50 -0.897 -3.949 -12.333 1.00 0.00 C ATOM 779 CE2 TYR A 50 -2.810 -3.806 -13.816 1.00 0.00 C ATOM 780 CZ TYR A 50 -1.425 -3.904 -13.628 1.00 0.00 C ATOM 781 OH TYR A 50 -0.583 -3.955 -14.720 1.00 0.00 O ATOM 0 H TYR A 50 -3.892 -4.169 -7.824 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.244 -5.584 -10.098 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.006 -3.271 -10.502 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.621 -3.125 -9.438 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.344 -3.929 -10.225 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.733 -3.678 -12.855 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.171 -4.025 -12.188 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.218 -3.771 -14.815 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.113 -3.914 -15.544 1.00 0.00 H new ATOM 791 N ALA A 51 -2.163 -6.068 -9.186 1.00 0.00 N ATOM 792 CA ALA A 51 -1.005 -6.962 -9.417 1.00 0.00 C ATOM 793 C ALA A 51 -1.396 -8.381 -9.032 1.00 0.00 C ATOM 794 O ALA A 51 -0.804 -9.346 -9.472 1.00 0.00 O ATOM 795 CB ALA A 51 0.082 -6.428 -8.485 1.00 0.00 C ATOM 0 H ALA A 51 -2.077 -5.450 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.671 -6.983 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.982 -7.034 -8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.309 -5.394 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.268 -6.474 -7.454 1.00 0.00 H new ATOM 1092 N MET B 1 1.264 6.666 -16.966 1.00 0.00 N ATOM 1093 CA MET B 1 1.799 8.005 -16.585 1.00 0.00 C ATOM 1094 C MET B 1 3.300 7.911 -16.288 1.00 0.00 C ATOM 1095 O MET B 1 3.856 6.836 -16.186 1.00 0.00 O ATOM 1096 CB MET B 1 1.002 8.407 -15.332 1.00 0.00 C ATOM 1097 CG MET B 1 1.746 7.999 -14.068 1.00 0.00 C ATOM 1098 SD MET B 1 0.549 7.489 -12.826 1.00 0.00 S ATOM 1099 CE MET B 1 -0.311 9.064 -12.686 1.00 0.00 C ATOM 0 H1 MET B 1 0.675 6.757 -17.818 1.00 0.00 H new ATOM 0 H2 MET B 1 2.055 6.018 -17.159 1.00 0.00 H new ATOM 0 H3 MET B 1 0.689 6.287 -16.187 1.00 0.00 H new ATOM 0 HA MET B 1 1.691 8.742 -17.380 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.836 9.484 -15.331 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.021 7.933 -15.351 1.00 0.00 H new ATOM 0 HG2 MET B 1 2.436 7.183 -14.284 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.343 8.832 -13.697 1.00 0.00 H new ATOM 0 HE1 MET B 1 -0.612 9.224 -11.651 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.352 9.870 -13.000 1.00 0.00 H new ATOM 0 HE3 MET B 1 -1.195 9.054 -13.323 1.00 0.00 H new ATOM 1111 N GLU B 2 3.952 9.026 -16.130 1.00 0.00 N ATOM 1112 CA GLU B 2 5.398 9.002 -15.817 1.00 0.00 C ATOM 1113 C GLU B 2 5.623 9.774 -14.513 1.00 0.00 C ATOM 1114 O GLU B 2 5.691 10.987 -14.495 1.00 0.00 O ATOM 1115 CB GLU B 2 6.066 9.695 -17.013 1.00 0.00 C ATOM 1116 CG GLU B 2 7.378 10.349 -16.581 1.00 0.00 C ATOM 1117 CD GLU B 2 8.029 11.040 -17.780 1.00 0.00 C ATOM 1118 OE1 GLU B 2 7.320 11.332 -18.728 1.00 0.00 O ATOM 1119 OE2 GLU B 2 9.227 11.266 -17.729 1.00 0.00 O ATOM 0 H GLU B 2 3.540 9.956 -16.205 1.00 0.00 H new ATOM 0 HA GLU B 2 5.805 8.001 -15.673 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.257 8.969 -17.803 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.395 10.448 -17.427 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.191 11.074 -15.789 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.053 9.597 -16.172 1.00 0.00 H new ATOM 1126 N VAL B 3 5.709 9.085 -13.415 1.00 0.00 N ATOM 1127 CA VAL B 3 5.910 9.783 -12.119 1.00 0.00 C ATOM 1128 C VAL B 3 7.389 9.717 -11.704 1.00 0.00 C ATOM 1129 O VAL B 3 8.167 8.980 -12.278 1.00 0.00 O ATOM 1130 CB VAL B 3 5.011 9.031 -11.143 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.625 8.836 -11.771 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.625 7.668 -10.819 1.00 0.00 C ATOM 0 H VAL B 3 5.649 8.068 -13.358 1.00 0.00 H new ATOM 0 HA VAL B 3 5.660 10.843 -12.159 1.00 0.00 H new ATOM 0 HB VAL B 3 4.915 9.608 -10.223 1.00 0.00 H new ATOM 0 HG11 VAL B 3 2.982 8.299 -11.074 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.186 9.809 -11.993 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.721 8.262 -12.693 1.00 0.00 H new ATOM 0 HG21 VAL B 3 4.979 7.135 -10.121 1.00 0.00 H new ATOM 0 HG22 VAL B 3 5.727 7.087 -11.736 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.607 7.809 -10.368 1.00 0.00 H new ATOM 1142 N ASN B 4 7.791 10.496 -10.731 1.00 0.00 N ATOM 1143 CA ASN B 4 9.230 10.489 -10.307 1.00 0.00 C ATOM 1144 C ASN B 4 9.453 9.542 -9.121 1.00 0.00 C ATOM 1145 O ASN B 4 8.582 8.784 -8.745 1.00 0.00 O ATOM 1146 CB ASN B 4 9.535 11.931 -9.890 1.00 0.00 C ATOM 1147 CG ASN B 4 8.839 12.911 -10.839 1.00 0.00 C ATOM 1148 OD1 ASN B 4 9.239 13.062 -11.976 1.00 0.00 O ATOM 1149 ND2 ASN B 4 7.804 13.585 -10.416 1.00 0.00 N ATOM 0 H ASN B 4 7.189 11.135 -10.212 1.00 0.00 H new ATOM 0 HA ASN B 4 9.878 10.142 -11.112 1.00 0.00 H new ATOM 0 HB2 ASN B 4 9.198 12.101 -8.867 1.00 0.00 H new ATOM 0 HB3 ASN B 4 10.611 12.102 -9.903 1.00 0.00 H new ATOM 0 HD21 ASN B 4 7.331 14.238 -11.040 1.00 0.00 H new ATOM 0 HD22 ASN B 4 7.468 13.458 -9.461 1.00 0.00 H new ATOM 1156 N LYS B 5 10.621 9.586 -8.532 1.00 0.00 N ATOM 1157 CA LYS B 5 10.921 8.696 -7.371 1.00 0.00 C ATOM 1158 C LYS B 5 9.859 8.840 -6.283 1.00 0.00 C ATOM 1159 O LYS B 5 9.559 7.907 -5.565 1.00 0.00 O ATOM 1160 CB LYS B 5 12.257 9.189 -6.818 1.00 0.00 C ATOM 1161 CG LYS B 5 13.358 9.093 -7.871 1.00 0.00 C ATOM 1162 CD LYS B 5 14.189 7.837 -7.612 1.00 0.00 C ATOM 1163 CE LYS B 5 14.835 7.927 -6.225 1.00 0.00 C ATOM 1164 NZ LYS B 5 16.302 8.005 -6.477 1.00 0.00 N ATOM 0 H LYS B 5 11.384 10.204 -8.808 1.00 0.00 H new ATOM 0 HA LYS B 5 10.943 7.650 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS B 5 12.157 10.222 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.533 8.598 -5.945 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.922 9.056 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS B 5 13.993 9.978 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.557 6.951 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS B 5 14.958 7.733 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS B 5 14.482 8.805 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.586 7.056 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 16.805 7.416 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 16.508 7.662 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 16.618 8.992 -6.387 1.00 0.00 H new ATOM 1178 N LYS B 6 9.303 10.008 -6.137 1.00 0.00 N ATOM 1179 CA LYS B 6 8.279 10.212 -5.074 1.00 0.00 C ATOM 1180 C LYS B 6 6.908 9.790 -5.576 1.00 0.00 C ATOM 1181 O LYS B 6 6.323 8.842 -5.093 1.00 0.00 O ATOM 1182 CB LYS B 6 8.306 11.711 -4.771 1.00 0.00 C ATOM 1183 CG LYS B 6 9.757 12.190 -4.682 1.00 0.00 C ATOM 1184 CD LYS B 6 9.795 13.598 -4.085 1.00 0.00 C ATOM 1185 CE LYS B 6 10.739 13.619 -2.881 1.00 0.00 C ATOM 1186 NZ LYS B 6 9.937 13.064 -1.757 1.00 0.00 N ATOM 0 H LYS B 6 9.511 10.829 -6.705 1.00 0.00 H new ATOM 0 HA LYS B 6 8.486 9.617 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS B 6 7.778 12.260 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS B 6 7.788 11.912 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS B 6 10.339 11.506 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS B 6 10.212 12.191 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS B 6 10.131 14.313 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS B 6 8.794 13.902 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS B 6 11.629 13.018 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS B 6 11.078 14.632 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 10.511 13.061 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 9.091 13.651 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 9.648 12.091 -1.984 1.00 0.00 H new ATOM 1200 N GLN B 7 6.389 10.479 -6.544 1.00 0.00 N ATOM 1201 CA GLN B 7 5.056 10.098 -7.065 1.00 0.00 C ATOM 1202 C GLN B 7 5.012 8.584 -7.294 1.00 0.00 C ATOM 1203 O GLN B 7 4.019 7.945 -7.037 1.00 0.00 O ATOM 1204 CB GLN B 7 4.908 10.862 -8.377 1.00 0.00 C ATOM 1205 CG GLN B 7 4.772 12.354 -8.084 1.00 0.00 C ATOM 1206 CD GLN B 7 3.336 12.659 -7.656 1.00 0.00 C ATOM 1207 OE1 GLN B 7 2.455 12.774 -8.484 1.00 0.00 O ATOM 1208 NE2 GLN B 7 3.059 12.791 -6.388 1.00 0.00 N ATOM 0 H GLN B 7 6.825 11.283 -6.994 1.00 0.00 H new ATOM 0 HA GLN B 7 4.246 10.339 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.774 10.683 -9.014 1.00 0.00 H new ATOM 0 HB3 GLN B 7 4.033 10.506 -8.921 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.467 12.646 -7.297 1.00 0.00 H new ATOM 0 HG3 GLN B 7 5.030 12.935 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN B 7 3.798 12.695 -5.692 1.00 0.00 H new ATOM 0 HE22 GLN B 7 2.103 12.991 -6.093 1.00 0.00 H new ATOM 1217 N LEU B 8 6.093 8.002 -7.748 1.00 0.00 N ATOM 1218 CA LEU B 8 6.111 6.525 -7.967 1.00 0.00 C ATOM 1219 C LEU B 8 5.918 5.819 -6.629 1.00 0.00 C ATOM 1220 O LEU B 8 4.984 5.065 -6.440 1.00 0.00 O ATOM 1221 CB LEU B 8 7.500 6.217 -8.537 1.00 0.00 C ATOM 1222 CG LEU B 8 7.869 4.748 -8.278 1.00 0.00 C ATOM 1223 CD1 LEU B 8 6.747 3.824 -8.771 1.00 0.00 C ATOM 1224 CD2 LEU B 8 9.168 4.421 -9.022 1.00 0.00 C ATOM 0 H LEU B 8 6.962 8.485 -7.976 1.00 0.00 H new ATOM 0 HA LEU B 8 5.320 6.190 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.514 6.419 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.242 6.872 -8.079 1.00 0.00 H new ATOM 0 HG LEU B 8 8.004 4.594 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU B 8 7.021 2.786 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU B 8 5.824 4.058 -8.241 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.599 3.971 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU B 8 9.437 3.380 -8.844 1.00 0.00 H new ATOM 0 HD22 LEU B 8 9.025 4.581 -10.091 1.00 0.00 H new ATOM 0 HD23 LEU B 8 9.967 5.069 -8.662 1.00 0.00 H new ATOM 1236 N ALA B 9 6.789 6.072 -5.694 1.00 0.00 N ATOM 1237 CA ALA B 9 6.643 5.425 -4.362 1.00 0.00 C ATOM 1238 C ALA B 9 5.293 5.835 -3.771 1.00 0.00 C ATOM 1239 O ALA B 9 4.672 5.101 -3.029 1.00 0.00 O ATOM 1240 CB ALA B 9 7.803 5.960 -3.519 1.00 0.00 C ATOM 0 H ALA B 9 7.591 6.695 -5.793 1.00 0.00 H new ATOM 0 HA ALA B 9 6.670 4.336 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.759 5.524 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.749 5.692 -3.990 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.729 7.045 -3.445 1.00 0.00 H new ATOM 1246 N ASP B 10 4.830 7.006 -4.123 1.00 0.00 N ATOM 1247 CA ASP B 10 3.509 7.479 -3.617 1.00 0.00 C ATOM 1248 C ASP B 10 2.389 6.737 -4.347 1.00 0.00 C ATOM 1249 O ASP B 10 1.501 6.176 -3.739 1.00 0.00 O ATOM 1250 CB ASP B 10 3.467 8.973 -3.946 1.00 0.00 C ATOM 1251 CG ASP B 10 3.500 9.783 -2.648 1.00 0.00 C ATOM 1252 OD1 ASP B 10 2.809 9.401 -1.718 1.00 0.00 O ATOM 1253 OD2 ASP B 10 4.214 10.772 -2.608 1.00 0.00 O ATOM 0 H ASP B 10 5.313 7.657 -4.742 1.00 0.00 H new ATOM 0 HA ASP B 10 3.379 7.299 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP B 10 4.315 9.241 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.564 9.207 -4.510 1.00 0.00 H new ATOM 1258 N ILE B 11 2.436 6.722 -5.651 1.00 0.00 N ATOM 1259 CA ILE B 11 1.389 6.008 -6.431 1.00 0.00 C ATOM 1260 C ILE B 11 1.274 4.575 -5.938 1.00 0.00 C ATOM 1261 O ILE B 11 0.253 3.934 -6.080 1.00 0.00 O ATOM 1262 CB ILE B 11 1.866 6.100 -7.889 1.00 0.00 C ATOM 1263 CG1 ILE B 11 0.730 6.568 -8.744 1.00 0.00 C ATOM 1264 CG2 ILE B 11 2.317 4.759 -8.458 1.00 0.00 C ATOM 1265 CD1 ILE B 11 1.312 7.140 -10.023 1.00 0.00 C ATOM 0 H ILE B 11 3.158 7.176 -6.211 1.00 0.00 H new ATOM 0 HA ILE B 11 0.392 6.436 -6.325 1.00 0.00 H new ATOM 0 HB ILE B 11 2.713 6.786 -7.894 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.056 5.741 -8.968 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.145 7.324 -8.220 1.00 0.00 H new ATOM 0 HG21 ILE B 11 2.641 4.892 -9.490 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.145 4.372 -7.864 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.487 4.053 -8.427 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.504 7.489 -10.666 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.970 7.974 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.880 6.368 -10.541 1.00 0.00 H new ATOM 1277 N PHE B 12 2.313 4.075 -5.349 1.00 0.00 N ATOM 1278 CA PHE B 12 2.268 2.688 -4.831 1.00 0.00 C ATOM 1279 C PHE B 12 2.144 2.706 -3.310 1.00 0.00 C ATOM 1280 O PHE B 12 2.099 1.674 -2.671 1.00 0.00 O ATOM 1281 CB PHE B 12 3.605 2.076 -5.228 1.00 0.00 C ATOM 1282 CG PHE B 12 3.652 1.772 -6.710 1.00 0.00 C ATOM 1283 CD1 PHE B 12 2.635 2.181 -7.579 1.00 0.00 C ATOM 1284 CD2 PHE B 12 4.736 1.065 -7.203 1.00 0.00 C ATOM 1285 CE1 PHE B 12 2.723 1.878 -8.947 1.00 0.00 C ATOM 1286 CE2 PHE B 12 4.830 0.756 -8.558 1.00 0.00 C ATOM 1287 CZ PHE B 12 3.825 1.162 -9.435 1.00 0.00 C ATOM 0 H PHE B 12 3.195 4.567 -5.203 1.00 0.00 H new ATOM 0 HA PHE B 12 1.421 2.128 -5.227 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.412 2.761 -4.969 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.771 1.160 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE B 12 1.785 2.728 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE B 12 5.518 0.749 -6.529 1.00 0.00 H new ATOM 0 HE1 PHE B 12 1.943 2.196 -9.623 1.00 0.00 H new ATOM 0 HE2 PHE B 12 5.680 0.203 -8.929 1.00 0.00 H new ATOM 0 HZ PHE B 12 3.895 0.926 -10.486 1.00 0.00 H new ATOM 1297 N GLY B 13 2.113 3.867 -2.720 1.00 0.00 N ATOM 1298 CA GLY B 13 2.023 3.929 -1.239 1.00 0.00 C ATOM 1299 C GLY B 13 3.272 3.271 -0.658 1.00 0.00 C ATOM 1300 O GLY B 13 3.330 2.942 0.509 1.00 0.00 O ATOM 0 H GLY B 13 2.146 4.768 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.948 4.964 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.126 3.417 -0.891 1.00 0.00 H new ATOM 1304 N ALA B 14 4.276 3.072 -1.475 1.00 0.00 N ATOM 1305 CA ALA B 14 5.525 2.430 -0.979 1.00 0.00 C ATOM 1306 C ALA B 14 6.464 3.480 -0.397 1.00 0.00 C ATOM 1307 O ALA B 14 6.088 4.608 -0.148 1.00 0.00 O ATOM 1308 CB ALA B 14 6.191 1.808 -2.213 1.00 0.00 C ATOM 0 H ALA B 14 4.282 3.327 -2.463 1.00 0.00 H new ATOM 0 HA ALA B 14 5.308 1.696 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA B 14 7.119 1.318 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.519 1.075 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.410 2.589 -2.941 1.00 0.00 H new ATOM 1314 N SER B 15 7.699 3.115 -0.226 1.00 0.00 N ATOM 1315 CA SER B 15 8.706 4.076 0.284 1.00 0.00 C ATOM 1316 C SER B 15 9.720 4.309 -0.822 1.00 0.00 C ATOM 1317 O SER B 15 10.186 3.387 -1.453 1.00 0.00 O ATOM 1318 CB SER B 15 9.354 3.398 1.482 1.00 0.00 C ATOM 1319 OG SER B 15 8.411 3.300 2.539 1.00 0.00 O ATOM 0 H SER B 15 8.057 2.180 -0.421 1.00 0.00 H new ATOM 0 HA SER B 15 8.282 5.037 0.575 1.00 0.00 H new ATOM 0 HB2 SER B 15 9.708 2.406 1.204 1.00 0.00 H new ATOM 0 HB3 SER B 15 10.224 3.967 1.809 1.00 0.00 H new ATOM 0 HG SER B 15 8.828 2.862 3.310 1.00 0.00 H new ATOM 1325 N ILE B 16 10.051 5.525 -1.084 1.00 0.00 N ATOM 1326 CA ILE B 16 11.020 5.786 -2.182 1.00 0.00 C ATOM 1327 C ILE B 16 12.252 4.909 -2.002 1.00 0.00 C ATOM 1328 O ILE B 16 12.831 4.434 -2.958 1.00 0.00 O ATOM 1329 CB ILE B 16 11.381 7.260 -2.079 1.00 0.00 C ATOM 1330 CG1 ILE B 16 10.099 8.078 -1.832 1.00 0.00 C ATOM 1331 CG2 ILE B 16 12.049 7.668 -3.389 1.00 0.00 C ATOM 1332 CD1 ILE B 16 10.154 9.421 -2.557 1.00 0.00 C ATOM 0 H ILE B 16 9.702 6.350 -0.596 1.00 0.00 H new ATOM 0 HA ILE B 16 10.601 5.555 -3.162 1.00 0.00 H new ATOM 0 HB ILE B 16 12.065 7.445 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE B 16 9.232 7.512 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE B 16 9.970 8.244 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE B 16 12.320 8.723 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.946 7.068 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE B 16 11.358 7.505 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE B 16 9.236 9.976 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE B 16 11.008 9.995 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE B 16 10.258 9.252 -3.629 1.00 0.00 H new ATOM 1344 N ARG B 17 12.645 4.664 -0.787 1.00 0.00 N ATOM 1345 CA ARG B 17 13.819 3.791 -0.568 1.00 0.00 C ATOM 1346 C ARG B 17 13.524 2.442 -1.224 1.00 0.00 C ATOM 1347 O ARG B 17 14.410 1.723 -1.640 1.00 0.00 O ATOM 1348 CB ARG B 17 13.965 3.734 0.955 1.00 0.00 C ATOM 1349 CG ARG B 17 13.492 2.401 1.517 1.00 0.00 C ATOM 1350 CD ARG B 17 11.976 2.432 1.585 1.00 0.00 C ATOM 1351 NE ARG B 17 11.564 1.009 1.744 1.00 0.00 N ATOM 1352 CZ ARG B 17 12.112 0.270 2.671 1.00 0.00 C ATOM 1353 NH1 ARG B 17 12.093 0.665 3.915 1.00 0.00 N ATOM 1354 NH2 ARG B 17 12.686 -0.858 2.354 1.00 0.00 N ATOM 0 H ARG B 17 12.205 5.029 0.058 1.00 0.00 H new ATOM 0 HA ARG B 17 14.755 4.137 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG B 17 15.008 3.894 1.227 1.00 0.00 H new ATOM 0 HB3 ARG B 17 13.391 4.543 1.406 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.828 1.580 0.884 1.00 0.00 H new ATOM 0 HG3 ARG B 17 13.915 2.234 2.508 1.00 0.00 H new ATOM 0 HD2 ARG B 17 11.632 3.038 2.423 1.00 0.00 H new ATOM 0 HD3 ARG B 17 11.550 2.867 0.681 1.00 0.00 H new ATOM 0 HE ARG B 17 10.854 0.612 1.129 1.00 0.00 H new ATOM 0 HH11 ARG B 17 11.650 1.550 4.162 1.00 0.00 H new ATOM 0 HH12 ARG B 17 12.521 0.089 4.640 1.00 0.00 H new ATOM 0 HH21 ARG B 17 12.707 -1.164 1.381 1.00 0.00 H new ATOM 0 HH22 ARG B 17 13.114 -1.434 3.079 1.00 0.00 H new ATOM 1368 N THR B 18 12.263 2.137 -1.374 1.00 0.00 N ATOM 1369 CA THR B 18 11.870 0.881 -2.072 1.00 0.00 C ATOM 1370 C THR B 18 12.048 1.150 -3.556 1.00 0.00 C ATOM 1371 O THR B 18 12.490 0.310 -4.313 1.00 0.00 O ATOM 1372 CB THR B 18 10.395 0.646 -1.729 1.00 0.00 C ATOM 1373 OG1 THR B 18 10.250 0.512 -0.320 1.00 0.00 O ATOM 1374 CG2 THR B 18 9.893 -0.625 -2.423 1.00 0.00 C ATOM 0 H THR B 18 11.485 2.707 -1.041 1.00 0.00 H new ATOM 0 HA THR B 18 12.456 0.008 -1.785 1.00 0.00 H new ATOM 0 HB THR B 18 9.807 1.496 -2.075 1.00 0.00 H new ATOM 0 HG1 THR B 18 10.231 -0.438 -0.082 1.00 0.00 H new ATOM 0 HG21 THR B 18 8.844 -0.785 -2.174 1.00 0.00 H new ATOM 0 HG22 THR B 18 9.997 -0.516 -3.502 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.480 -1.479 -2.086 1.00 0.00 H new ATOM 1382 N ILE B 19 11.749 2.358 -3.958 1.00 0.00 N ATOM 1383 CA ILE B 19 11.944 2.739 -5.375 1.00 0.00 C ATOM 1384 C ILE B 19 13.446 2.780 -5.636 1.00 0.00 C ATOM 1385 O ILE B 19 13.916 2.503 -6.721 1.00 0.00 O ATOM 1386 CB ILE B 19 11.334 4.132 -5.505 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.907 4.120 -4.960 1.00 0.00 C ATOM 1388 CG2 ILE B 19 11.300 4.531 -6.974 1.00 0.00 C ATOM 1389 CD1 ILE B 19 9.116 3.015 -5.654 1.00 0.00 C ATOM 0 H ILE B 19 11.377 3.095 -3.358 1.00 0.00 H new ATOM 0 HA ILE B 19 11.486 2.049 -6.084 1.00 0.00 H new ATOM 0 HB ILE B 19 11.936 4.844 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.917 3.955 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.432 5.086 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE B 19 10.865 5.526 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE B 19 12.314 4.538 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.696 3.815 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE B 19 8.096 3.001 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE B 19 9.096 3.201 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.590 2.052 -5.461 1.00 0.00 H new ATOM 1401 N GLN B 20 14.205 3.091 -4.617 1.00 0.00 N ATOM 1402 CA GLN B 20 15.680 3.114 -4.763 1.00 0.00 C ATOM 1403 C GLN B 20 16.150 1.671 -4.852 1.00 0.00 C ATOM 1404 O GLN B 20 17.149 1.358 -5.470 1.00 0.00 O ATOM 1405 CB GLN B 20 16.207 3.772 -3.486 1.00 0.00 C ATOM 1406 CG GLN B 20 15.795 5.245 -3.451 1.00 0.00 C ATOM 1407 CD GLN B 20 17.022 6.124 -3.707 1.00 0.00 C ATOM 1408 OE1 GLN B 20 17.343 6.424 -4.840 1.00 0.00 O ATOM 1409 NE2 GLN B 20 17.729 6.550 -2.695 1.00 0.00 N ATOM 0 H GLN B 20 13.859 3.330 -3.688 1.00 0.00 H new ATOM 0 HA GLN B 20 16.024 3.653 -5.645 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.814 3.255 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.293 3.688 -3.445 1.00 0.00 H new ATOM 0 HG2 GLN B 20 15.032 5.438 -4.205 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.356 5.488 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.460 6.299 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.550 7.134 -2.856 1.00 0.00 H new ATOM 1418 N ASN B 21 15.405 0.783 -4.247 1.00 0.00 N ATOM 1419 CA ASN B 21 15.769 -0.652 -4.304 1.00 0.00 C ATOM 1420 C ASN B 21 15.196 -1.251 -5.582 1.00 0.00 C ATOM 1421 O ASN B 21 15.632 -2.281 -6.058 1.00 0.00 O ATOM 1422 CB ASN B 21 15.128 -1.279 -3.068 1.00 0.00 C ATOM 1423 CG ASN B 21 15.924 -2.517 -2.651 1.00 0.00 C ATOM 1424 OD1 ASN B 21 17.124 -2.571 -2.833 1.00 0.00 O ATOM 1425 ND2 ASN B 21 15.303 -3.521 -2.094 1.00 0.00 N ATOM 0 H ASN B 21 14.560 0.996 -3.717 1.00 0.00 H new ATOM 0 HA ASN B 21 16.846 -0.822 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN B 21 15.105 -0.557 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN B 21 14.095 -1.553 -3.281 1.00 0.00 H new ATOM 0 HD21 ASN B 21 15.825 -4.350 -1.812 1.00 0.00 H new ATOM 0 HD22 ASN B 21 14.296 -3.476 -1.941 1.00 0.00 H new ATOM 1432 N TRP B 22 14.227 -0.592 -6.144 1.00 0.00 N ATOM 1433 CA TRP B 22 13.615 -1.082 -7.402 1.00 0.00 C ATOM 1434 C TRP B 22 14.489 -0.683 -8.580 1.00 0.00 C ATOM 1435 O TRP B 22 14.783 -1.475 -9.452 1.00 0.00 O ATOM 1436 CB TRP B 22 12.286 -0.354 -7.484 1.00 0.00 C ATOM 1437 CG TRP B 22 11.331 -0.949 -6.514 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.630 -1.872 -5.575 1.00 0.00 C ATOM 1439 CD2 TRP B 22 9.919 -0.680 -6.391 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.476 -2.185 -4.880 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.394 -1.471 -5.347 1.00 0.00 C ATOM 1442 CE3 TRP B 22 9.057 0.174 -7.084 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 8.046 -1.416 -5.003 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.707 0.235 -6.748 1.00 0.00 C ATOM 1445 CH2 TRP B 22 7.196 -0.559 -5.706 1.00 0.00 C ATOM 0 H TRP B 22 13.829 0.274 -5.781 1.00 0.00 H new ATOM 0 HA TRP B 22 13.502 -2.166 -7.422 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.426 0.705 -7.268 1.00 0.00 H new ATOM 0 HB3 TRP B 22 11.884 -0.423 -8.495 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.607 -2.295 -5.396 1.00 0.00 H new ATOM 0 HE1 TRP B 22 10.431 -2.860 -4.117 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.440 0.790 -7.884 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.662 -2.029 -4.201 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 7.048 0.896 -7.291 1.00 0.00 H new ATOM 0 HH2 TRP B 22 6.148 -0.506 -5.450 1.00 0.00 H new ATOM 1456 N GLN B 23 14.913 0.549 -8.607 1.00 0.00 N ATOM 1457 CA GLN B 23 15.769 1.001 -9.715 1.00 0.00 C ATOM 1458 C GLN B 23 16.966 0.050 -9.820 1.00 0.00 C ATOM 1459 O GLN B 23 17.592 -0.066 -10.855 1.00 0.00 O ATOM 1460 CB GLN B 23 16.170 2.427 -9.318 1.00 0.00 C ATOM 1461 CG GLN B 23 17.601 2.723 -9.749 1.00 0.00 C ATOM 1462 CD GLN B 23 17.731 2.550 -11.263 1.00 0.00 C ATOM 1463 OE1 GLN B 23 18.597 1.840 -11.734 1.00 0.00 O ATOM 1464 NE2 GLN B 23 16.901 3.176 -12.051 1.00 0.00 N ATOM 0 H GLN B 23 14.698 1.257 -7.904 1.00 0.00 H new ATOM 0 HA GLN B 23 15.291 0.999 -10.694 1.00 0.00 H new ATOM 0 HB2 GLN B 23 15.490 3.143 -9.780 1.00 0.00 H new ATOM 0 HB3 GLN B 23 16.077 2.549 -8.239 1.00 0.00 H new ATOM 0 HG2 GLN B 23 17.873 3.739 -9.465 1.00 0.00 H new ATOM 0 HG3 GLN B 23 18.291 2.053 -9.236 1.00 0.00 H new ATOM 0 HE21 GLN B 23 16.174 3.772 -11.656 1.00 0.00 H new ATOM 0 HE22 GLN B 23 16.979 3.069 -13.062 1.00 0.00 H new ATOM 1473 N GLU B 24 17.276 -0.648 -8.753 1.00 0.00 N ATOM 1474 CA GLU B 24 18.419 -1.605 -8.802 1.00 0.00 C ATOM 1475 C GLU B 24 17.902 -3.031 -9.025 1.00 0.00 C ATOM 1476 O GLU B 24 18.666 -3.971 -9.110 1.00 0.00 O ATOM 1477 CB GLU B 24 19.096 -1.486 -7.435 1.00 0.00 C ATOM 1478 CG GLU B 24 19.340 -0.011 -7.112 1.00 0.00 C ATOM 1479 CD GLU B 24 20.829 0.212 -6.836 1.00 0.00 C ATOM 1480 OE1 GLU B 24 21.606 0.112 -7.770 1.00 0.00 O ATOM 1481 OE2 GLU B 24 21.164 0.477 -5.694 1.00 0.00 O ATOM 0 H GLU B 24 16.789 -0.595 -7.858 1.00 0.00 H new ATOM 0 HA GLU B 24 19.109 -1.385 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.469 -1.938 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU B 24 20.041 -2.030 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.016 0.613 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU B 24 18.750 0.285 -6.244 1.00 0.00 H new ATOM 1488 N GLN B 25 16.610 -3.198 -9.124 1.00 0.00 N ATOM 1489 CA GLN B 25 16.048 -4.563 -9.344 1.00 0.00 C ATOM 1490 C GLN B 25 15.604 -4.723 -10.799 1.00 0.00 C ATOM 1491 O GLN B 25 14.845 -5.610 -11.137 1.00 0.00 O ATOM 1492 CB GLN B 25 14.849 -4.657 -8.403 1.00 0.00 C ATOM 1493 CG GLN B 25 15.339 -5.008 -6.999 1.00 0.00 C ATOM 1494 CD GLN B 25 14.263 -4.641 -5.976 1.00 0.00 C ATOM 1495 OE1 GLN B 25 14.618 -4.189 -4.805 1.00 0.00 O flip ATOM 1496 NE2 GLN B 25 13.084 -4.766 -6.246 1.00 0.00 N flip ATOM 0 H GLN B 25 15.920 -2.449 -9.062 1.00 0.00 H new ATOM 0 HA GLN B 25 16.780 -5.347 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN B 25 14.309 -3.710 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN B 25 14.151 -5.416 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN B 25 15.566 -6.072 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN B 25 16.262 -4.471 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN B 25 12.805 -5.119 -7.161 1.00 0.00 H new ATOM 0 HE22 GLN B 25 12.374 -4.518 -5.557 1.00 0.00 H new ATOM 1505 N GLY B 26 16.080 -3.871 -11.663 1.00 0.00 N ATOM 1506 CA GLY B 26 15.696 -3.969 -13.099 1.00 0.00 C ATOM 1507 C GLY B 26 14.343 -3.293 -13.323 1.00 0.00 C ATOM 1508 O GLY B 26 13.591 -3.666 -14.201 1.00 0.00 O ATOM 0 H GLY B 26 16.720 -3.109 -11.436 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.456 -3.496 -13.721 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.644 -5.015 -13.400 1.00 0.00 H new ATOM 1512 N MET B 27 14.023 -2.304 -12.535 1.00 0.00 N ATOM 1513 CA MET B 27 12.712 -1.612 -12.707 1.00 0.00 C ATOM 1514 C MET B 27 12.701 -0.796 -14.006 1.00 0.00 C ATOM 1515 O MET B 27 13.693 -0.202 -14.375 1.00 0.00 O ATOM 1516 CB MET B 27 12.583 -0.694 -11.494 1.00 0.00 C ATOM 1517 CG MET B 27 11.103 -0.480 -11.178 1.00 0.00 C ATOM 1518 SD MET B 27 10.530 1.027 -11.997 1.00 0.00 S ATOM 1519 CE MET B 27 11.572 2.180 -11.076 1.00 0.00 C ATOM 0 H MET B 27 14.609 -1.945 -11.782 1.00 0.00 H new ATOM 0 HA MET B 27 11.883 -2.317 -12.773 1.00 0.00 H new ATOM 0 HB2 MET B 27 13.090 -1.134 -10.635 1.00 0.00 H new ATOM 0 HB3 MET B 27 13.066 0.262 -11.694 1.00 0.00 H new ATOM 0 HG2 MET B 27 10.519 -1.336 -11.516 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.957 -0.400 -10.101 1.00 0.00 H new ATOM 0 HE1 MET B 27 10.945 2.926 -10.587 1.00 0.00 H new ATOM 0 HE2 MET B 27 12.141 1.634 -10.323 1.00 0.00 H new ATOM 0 HE3 MET B 27 12.259 2.676 -11.761 1.00 0.00 H new ATOM 1529 N PRO B 28 11.569 -0.809 -14.660 1.00 0.00 N ATOM 1530 CA PRO B 28 11.414 -0.075 -15.937 1.00 0.00 C ATOM 1531 C PRO B 28 11.269 1.430 -15.701 1.00 0.00 C ATOM 1532 O PRO B 28 10.208 2.002 -15.890 1.00 0.00 O ATOM 1533 CB PRO B 28 10.131 -0.647 -16.528 1.00 0.00 C ATOM 1534 CG PRO B 28 9.352 -1.149 -15.356 1.00 0.00 C ATOM 1535 CD PRO B 28 10.340 -1.507 -14.276 1.00 0.00 C ATOM 0 HA PRO B 28 12.279 -0.192 -16.590 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.575 0.115 -17.074 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.346 -1.451 -17.232 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.657 -0.387 -15.003 1.00 0.00 H new ATOM 0 HG3 PRO B 28 8.757 -2.019 -15.635 1.00 0.00 H new ATOM 0 HD2 PRO B 28 9.990 -1.185 -13.295 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.496 -2.584 -14.221 1.00 0.00 H new ATOM 1543 N VAL B 29 12.326 2.089 -15.324 1.00 0.00 N ATOM 1544 CA VAL B 29 12.222 3.559 -15.127 1.00 0.00 C ATOM 1545 C VAL B 29 12.209 4.221 -16.510 1.00 0.00 C ATOM 1546 O VAL B 29 12.561 3.613 -17.501 1.00 0.00 O ATOM 1547 CB VAL B 29 13.432 4.001 -14.280 1.00 0.00 C ATOM 1548 CG1 VAL B 29 13.990 2.853 -13.444 1.00 0.00 C ATOM 1549 CG2 VAL B 29 14.522 4.514 -15.179 1.00 0.00 C ATOM 0 H VAL B 29 13.244 1.682 -15.146 1.00 0.00 H new ATOM 0 HA VAL B 29 11.311 3.850 -14.605 1.00 0.00 H new ATOM 0 HB VAL B 29 13.088 4.785 -13.606 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.841 3.207 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.217 2.485 -12.769 1.00 0.00 H new ATOM 0 HG13 VAL B 29 14.311 2.046 -14.103 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.375 4.825 -14.576 1.00 0.00 H new ATOM 0 HG22 VAL B 29 14.831 3.724 -15.864 1.00 0.00 H new ATOM 0 HG23 VAL B 29 14.152 5.365 -15.750 1.00 0.00 H new ATOM 1559 N LEU B 30 11.790 5.443 -16.588 1.00 0.00 N ATOM 1560 CA LEU B 30 11.735 6.125 -17.909 1.00 0.00 C ATOM 1561 C LEU B 30 13.118 6.580 -18.359 1.00 0.00 C ATOM 1562 O LEU B 30 13.673 6.077 -19.315 1.00 0.00 O ATOM 1563 CB LEU B 30 10.841 7.330 -17.676 1.00 0.00 C ATOM 1564 CG LEU B 30 9.483 7.048 -18.292 1.00 0.00 C ATOM 1565 CD1 LEU B 30 8.759 6.005 -17.454 1.00 0.00 C ATOM 1566 CD2 LEU B 30 8.675 8.335 -18.327 1.00 0.00 C ATOM 0 H LEU B 30 11.481 6.005 -15.795 1.00 0.00 H new ATOM 0 HA LEU B 30 11.363 5.462 -18.690 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.740 7.526 -16.609 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.282 8.221 -18.123 1.00 0.00 H new ATOM 0 HG LEU B 30 9.606 6.671 -19.307 1.00 0.00 H new ATOM 0 HD11 LEU B 30 7.783 5.799 -17.893 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.346 5.087 -17.429 1.00 0.00 H new ATOM 0 HD13 LEU B 30 8.629 6.380 -16.439 1.00 0.00 H new ATOM 0 HD21 LEU B 30 7.698 8.139 -18.769 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.546 8.711 -17.312 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.201 9.079 -18.925 1.00 0.00 H new ATOM 1697 N LEU B 40 12.979 8.811 -14.353 1.00 0.00 N ATOM 1698 CA LEU B 40 11.509 8.834 -14.137 1.00 0.00 C ATOM 1699 C LEU B 40 11.020 7.398 -14.085 1.00 0.00 C ATOM 1700 O LEU B 40 11.803 6.471 -14.144 1.00 0.00 O ATOM 1701 CB LEU B 40 10.927 9.561 -15.350 1.00 0.00 C ATOM 1702 CG LEU B 40 10.495 10.966 -14.942 1.00 0.00 C ATOM 1703 CD1 LEU B 40 9.258 10.873 -14.045 1.00 0.00 C ATOM 1704 CD2 LEU B 40 11.641 11.656 -14.190 1.00 0.00 C ATOM 0 HA LEU B 40 11.216 9.331 -13.212 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.669 9.614 -16.146 1.00 0.00 H new ATOM 0 HB3 LEU B 40 10.075 9.007 -15.745 1.00 0.00 H new ATOM 0 HG LEU B 40 10.251 11.550 -15.829 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.946 11.875 -13.751 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.449 10.386 -14.590 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.497 10.292 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU B 40 11.332 12.660 -13.898 1.00 0.00 H new ATOM 0 HD22 LEU B 40 11.890 11.080 -13.299 1.00 0.00 H new ATOM 0 HD23 LEU B 40 12.515 11.719 -14.838 1.00 0.00 H new ATOM 1716 N TYR B 41 9.749 7.186 -13.971 1.00 0.00 N ATOM 1717 CA TYR B 41 9.269 5.786 -13.914 1.00 0.00 C ATOM 1718 C TYR B 41 7.925 5.650 -14.610 1.00 0.00 C ATOM 1719 O TYR B 41 7.010 6.415 -14.377 1.00 0.00 O ATOM 1720 CB TYR B 41 9.119 5.486 -12.425 1.00 0.00 C ATOM 1721 CG TYR B 41 10.425 5.729 -11.702 1.00 0.00 C ATOM 1722 CD1 TYR B 41 11.529 4.908 -11.957 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.519 6.751 -10.747 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.725 5.105 -11.258 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.719 6.951 -10.055 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.820 6.124 -10.309 1.00 0.00 C ATOM 1727 OH TYR B 41 13.997 6.309 -9.618 1.00 0.00 O ATOM 0 H TYR B 41 9.029 7.907 -13.915 1.00 0.00 H new ATOM 0 HA TYR B 41 9.954 5.100 -14.412 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.338 6.115 -11.998 1.00 0.00 H new ATOM 0 HB3 TYR B 41 8.807 4.451 -12.286 1.00 0.00 H new ATOM 0 HD1 TYR B 41 11.458 4.122 -12.694 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.667 7.383 -10.546 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.575 4.468 -11.453 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.796 7.743 -9.325 1.00 0.00 H new ATOM 0 HH TYR B 41 14.637 6.789 -10.184 1.00 0.00 H new ATOM 1737 N ASP B 42 7.787 4.668 -15.453 1.00 0.00 N ATOM 1738 CA ASP B 42 6.486 4.489 -16.137 1.00 0.00 C ATOM 1739 C ASP B 42 5.516 3.865 -15.142 1.00 0.00 C ATOM 1740 O ASP B 42 5.443 2.661 -15.005 1.00 0.00 O ATOM 1741 CB ASP B 42 6.763 3.551 -17.309 1.00 0.00 C ATOM 1742 CG ASP B 42 6.477 4.273 -18.628 1.00 0.00 C ATOM 1743 OD1 ASP B 42 6.225 5.466 -18.586 1.00 0.00 O ATOM 1744 OD2 ASP B 42 6.516 3.620 -19.657 1.00 0.00 O ATOM 0 H ASP B 42 8.511 3.991 -15.694 1.00 0.00 H new ATOM 0 HA ASP B 42 6.049 5.421 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP B 42 7.801 3.218 -17.283 1.00 0.00 H new ATOM 0 HB3 ASP B 42 6.140 2.660 -17.229 1.00 0.00 H new ATOM 1749 N SER B 43 4.802 4.687 -14.422 1.00 0.00 N ATOM 1750 CA SER B 43 3.855 4.164 -13.400 1.00 0.00 C ATOM 1751 C SER B 43 3.193 2.881 -13.877 1.00 0.00 C ATOM 1752 O SER B 43 2.841 2.049 -13.081 1.00 0.00 O ATOM 1753 CB SER B 43 2.810 5.251 -13.217 1.00 0.00 C ATOM 1754 OG SER B 43 1.959 4.899 -12.139 1.00 0.00 O ATOM 0 H SER B 43 4.835 5.704 -14.499 1.00 0.00 H new ATOM 0 HA SER B 43 4.370 3.928 -12.469 1.00 0.00 H new ATOM 0 HB2 SER B 43 3.293 6.208 -13.018 1.00 0.00 H new ATOM 0 HB3 SER B 43 2.229 5.372 -14.131 1.00 0.00 H new ATOM 0 HG SER B 43 1.217 5.537 -12.086 1.00 0.00 H new ATOM 1760 N ALA B 44 3.032 2.707 -15.162 1.00 0.00 N ATOM 1761 CA ALA B 44 2.396 1.445 -15.656 1.00 0.00 C ATOM 1762 C ALA B 44 3.466 0.383 -15.881 1.00 0.00 C ATOM 1763 O ALA B 44 3.275 -0.780 -15.591 1.00 0.00 O ATOM 1764 CB ALA B 44 1.713 1.798 -16.973 1.00 0.00 C ATOM 0 H ALA B 44 3.308 3.372 -15.884 1.00 0.00 H new ATOM 0 HA ALA B 44 1.680 1.047 -14.937 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.230 0.911 -17.381 1.00 0.00 H new ATOM 0 HB2 ALA B 44 0.965 2.571 -16.799 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.456 2.165 -17.681 1.00 0.00 H new ATOM 1770 N ALA B 45 4.599 0.778 -16.377 1.00 0.00 N ATOM 1771 CA ALA B 45 5.689 -0.207 -16.593 1.00 0.00 C ATOM 1772 C ALA B 45 6.321 -0.510 -15.242 1.00 0.00 C ATOM 1773 O ALA B 45 6.848 -1.577 -15.007 1.00 0.00 O ATOM 1774 CB ALA B 45 6.692 0.479 -17.524 1.00 0.00 C ATOM 0 H ALA B 45 4.819 1.738 -16.642 1.00 0.00 H new ATOM 0 HA ALA B 45 5.343 -1.144 -17.029 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.524 -0.196 -17.724 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.200 0.737 -18.462 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.067 1.386 -17.050 1.00 0.00 H new ATOM 1780 N VAL B 46 6.245 0.434 -14.343 1.00 0.00 N ATOM 1781 CA VAL B 46 6.815 0.224 -12.990 1.00 0.00 C ATOM 1782 C VAL B 46 5.955 -0.771 -12.219 1.00 0.00 C ATOM 1783 O VAL B 46 6.410 -1.391 -11.282 1.00 0.00 O ATOM 1784 CB VAL B 46 6.757 1.587 -12.308 1.00 0.00 C ATOM 1785 CG1 VAL B 46 7.180 1.442 -10.847 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.699 2.558 -13.016 1.00 0.00 C ATOM 0 H VAL B 46 5.810 1.344 -14.492 1.00 0.00 H new ATOM 0 HA VAL B 46 7.831 -0.170 -13.032 1.00 0.00 H new ATOM 0 HB VAL B 46 5.739 1.972 -12.358 1.00 0.00 H new ATOM 0 HG11 VAL B 46 7.139 2.415 -10.358 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.505 0.752 -10.340 1.00 0.00 H new ATOM 0 HG13 VAL B 46 8.198 1.055 -10.800 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.655 3.531 -12.526 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.718 2.175 -12.970 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.397 2.663 -14.058 1.00 0.00 H new ATOM 1796 N ILE B 47 4.715 -0.932 -12.609 1.00 0.00 N ATOM 1797 CA ILE B 47 3.842 -1.905 -11.876 1.00 0.00 C ATOM 1798 C ILE B 47 3.911 -3.270 -12.515 1.00 0.00 C ATOM 1799 O ILE B 47 4.221 -4.243 -11.863 1.00 0.00 O ATOM 1800 CB ILE B 47 2.398 -1.406 -11.893 1.00 0.00 C ATOM 1801 CG1 ILE B 47 2.135 -0.409 -13.023 1.00 0.00 C ATOM 1802 CG2 ILE B 47 2.128 -0.762 -10.553 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.853 0.392 -12.741 1.00 0.00 C ATOM 0 H ILE B 47 4.274 -0.443 -13.388 1.00 0.00 H new ATOM 0 HA ILE B 47 4.195 -1.984 -10.848 1.00 0.00 H new ATOM 0 HB ILE B 47 1.731 -2.249 -12.072 1.00 0.00 H new ATOM 0 HG12 ILE B 47 2.982 0.270 -13.122 1.00 0.00 H new ATOM 0 HG13 ILE B 47 2.039 -0.940 -13.970 1.00 0.00 H new ATOM 0 HG21 ILE B 47 1.103 -0.392 -10.527 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.269 -1.497 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.817 0.069 -10.403 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.679 1.097 -13.553 1.00 0.00 H new ATOM 0 HD12 ILE B 47 0.007 -0.291 -12.665 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.964 0.938 -11.804 1.00 0.00 H new ATOM 1815 N LYS B 48 3.634 -3.364 -13.782 1.00 0.00 N ATOM 1816 CA LYS B 48 3.710 -4.689 -14.437 1.00 0.00 C ATOM 1817 C LYS B 48 5.003 -5.366 -13.964 1.00 0.00 C ATOM 1818 O LYS B 48 5.100 -6.574 -13.846 1.00 0.00 O ATOM 1819 CB LYS B 48 3.729 -4.372 -15.940 1.00 0.00 C ATOM 1820 CG LYS B 48 4.553 -5.415 -16.699 1.00 0.00 C ATOM 1821 CD LYS B 48 5.920 -4.825 -17.050 1.00 0.00 C ATOM 1822 CE LYS B 48 5.725 -3.586 -17.923 1.00 0.00 C ATOM 1823 NZ LYS B 48 6.215 -3.983 -19.272 1.00 0.00 N ATOM 0 H LYS B 48 3.361 -2.588 -14.385 1.00 0.00 H new ATOM 0 HA LYS B 48 2.887 -5.365 -14.204 1.00 0.00 H new ATOM 0 HB2 LYS B 48 2.710 -4.354 -16.326 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.149 -3.380 -16.103 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.677 -6.310 -16.090 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.031 -5.717 -17.607 1.00 0.00 H new ATOM 0 HD2 LYS B 48 6.460 -4.562 -16.140 1.00 0.00 H new ATOM 0 HD3 LYS B 48 6.524 -5.564 -17.577 1.00 0.00 H new ATOM 0 HE2 LYS B 48 4.677 -3.288 -17.956 1.00 0.00 H new ATOM 0 HE3 LYS B 48 6.286 -2.737 -17.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 6.113 -3.182 -19.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 7.217 -4.255 -19.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 5.658 -4.789 -19.620 1.00 0.00 H new ATOM 1837 N TRP B 49 5.981 -4.555 -13.654 1.00 0.00 N ATOM 1838 CA TRP B 49 7.282 -5.069 -13.149 1.00 0.00 C ATOM 1839 C TRP B 49 7.244 -5.173 -11.617 1.00 0.00 C ATOM 1840 O TRP B 49 7.902 -6.009 -11.029 1.00 0.00 O ATOM 1841 CB TRP B 49 8.290 -4.015 -13.606 1.00 0.00 C ATOM 1842 CG TRP B 49 9.549 -4.104 -12.809 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.708 -4.643 -13.251 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.803 -3.636 -11.455 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.664 -4.524 -12.259 1.00 0.00 N ATOM 1846 CE2 TRP B 49 11.154 -3.915 -11.131 1.00 0.00 C ATOM 1847 CE3 TRP B 49 9.005 -3.001 -10.483 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.691 -3.574 -9.892 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.546 -2.663 -9.233 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.887 -2.948 -8.941 1.00 0.00 C ATOM 0 H TRP B 49 5.928 -3.539 -13.732 1.00 0.00 H new ATOM 0 HA TRP B 49 7.529 -6.064 -13.518 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.513 -4.154 -14.664 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.857 -3.021 -13.500 1.00 0.00 H new ATOM 0 HD1 TRP B 49 10.862 -5.093 -14.221 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.627 -4.847 -12.350 1.00 0.00 H new ATOM 0 HE3 TRP B 49 7.972 -2.773 -10.701 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.725 -3.793 -9.669 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.926 -2.181 -8.492 1.00 0.00 H new ATOM 0 HH2 TRP B 49 11.298 -2.682 -7.978 1.00 0.00 H new ATOM 1861 N TYR B 50 6.474 -4.335 -10.962 1.00 0.00 N ATOM 1862 CA TYR B 50 6.400 -4.401 -9.474 1.00 0.00 C ATOM 1863 C TYR B 50 5.335 -5.420 -9.053 1.00 0.00 C ATOM 1864 O TYR B 50 5.415 -6.026 -8.002 1.00 0.00 O ATOM 1865 CB TYR B 50 6.013 -2.977 -9.038 1.00 0.00 C ATOM 1866 CG TYR B 50 5.125 -3.018 -7.815 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.745 -3.227 -7.949 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.690 -2.865 -6.550 1.00 0.00 C ATOM 1869 CE1 TYR B 50 2.933 -3.283 -6.808 1.00 0.00 C ATOM 1870 CE2 TYR B 50 4.884 -2.922 -5.409 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.504 -3.134 -5.536 1.00 0.00 C ATOM 1872 OH TYR B 50 2.708 -3.193 -4.412 1.00 0.00 O ATOM 0 H TYR B 50 5.898 -3.613 -11.395 1.00 0.00 H new ATOM 0 HA TYR B 50 7.336 -4.719 -9.015 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.912 -2.400 -8.822 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.496 -2.469 -9.852 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.308 -3.345 -8.930 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.753 -2.702 -6.451 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.869 -3.441 -6.908 1.00 0.00 H new ATOM 0 HE2 TYR B 50 5.324 -2.803 -4.430 1.00 0.00 H new ATOM 0 HH TYR B 50 3.262 -3.072 -3.612 1.00 0.00 H new ATOM 1882 N ALA B 51 4.342 -5.609 -9.868 1.00 0.00 N ATOM 1883 CA ALA B 51 3.271 -6.575 -9.529 1.00 0.00 C ATOM 1884 C ALA B 51 3.775 -7.993 -9.772 1.00 0.00 C ATOM 1885 O ALA B 51 3.303 -8.943 -9.178 1.00 0.00 O ATOM 1886 CB ALA B 51 2.131 -6.235 -10.488 1.00 0.00 C ATOM 0 H ALA B 51 4.226 -5.131 -10.762 1.00 0.00 H new ATOM 0 HA ALA B 51 2.956 -6.518 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.291 -6.905 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA B 51 1.815 -5.205 -10.326 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.473 -6.352 -11.516 1.00 0.00 H new