USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=19 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 5 LYS NZ :NH3+ -140:sc= -0.488 (180deg=-2.79!) USER MOD Set 1.2: B 41 TYR OH : rot 104:sc= -3.9! USER MOD Set 2.1: A 21 ASN : amide:sc= 1.14 K(o=1.5,f=-0.54) USER MOD Set 2.2: A 25 GLN : amide:sc= 0.39 K(o=1.5,f=-0.54) USER MOD Set 3.1: A 15 SER OG : rot -124:sc= -2.63! USER MOD Set 3.2: A 18 THR OG1 : rot 124:sc= -1.41! USER MOD Set 4.1: A 1 MET CE :methyl -134:sc= -0.473 (180deg=-1.48!) USER MOD Set 4.2: B 7 GLN :FLIP amide:sc= -0.201 F(o=-2,f=-0.67) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.158 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.6) USER MOD Single : A 5 LYS NZ :NH3+ 135:sc= -0.169 (180deg=-1.27) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.7!) USER MOD Single : A 23 GLN : amide:sc= 0.205 K(o=0.2,f=-2.6!) USER MOD Single : A 27 MET CE :methyl -130:sc= -11.7! (180deg=-16.4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -29:sc= -4.99! 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 CE :methyl -131:sc= -1.98! (180deg=-3.95!) USER MOD Single : B 1 MET N :NH3+ 142:sc= 0.652 (180deg=-0.92!) USER MOD Single : B 4 ASN : amide:sc= -2.29 K(o=-2.3,f=-14!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot -140:sc= 0 USER MOD Single : B 18 THR OG1 : rot -40:sc= -2.28! USER MOD Single : B 20 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.7!) USER MOD Single : B 21 ASN : amide:sc= -0.049 K(o=-0.049,f=-2!) USER MOD Single : B 23 GLN : amide:sc= -2.04 X(o=-2,f=-1.7!) USER MOD Single : B 25 GLN : amide:sc= -0.867 K(o=-0.87,f=-1.5) USER MOD Single : B 27 MET CE :methyl -162:sc= -9.4! (180deg=-10.7!) USER MOD Single : B 43 SER OG : rot 17:sc= -7.14! 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 -1.419 6.705 -2.748 1.00 0.00 N ATOM 2 CA MET A 1 -1.864 7.775 -3.688 1.00 0.00 C ATOM 3 C MET A 1 -3.324 7.564 -4.077 1.00 0.00 C ATOM 4 O MET A 1 -3.755 6.466 -4.362 1.00 0.00 O ATOM 5 CB MET A 1 -0.955 7.640 -4.912 1.00 0.00 C ATOM 6 CG MET A 1 -1.555 8.369 -6.119 1.00 0.00 C ATOM 7 SD MET A 1 -0.479 9.751 -6.576 1.00 0.00 S ATOM 8 CE MET A 1 0.439 8.904 -7.886 1.00 0.00 C ATOM 0 H1 MET A 1 -1.325 7.101 -1.791 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.121 5.938 -2.738 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.501 6.329 -3.059 1.00 0.00 H new ATOM 0 HA MET A 1 -1.796 8.767 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.029 8.050 -4.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.814 6.586 -5.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.660 7.682 -6.958 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.554 8.734 -5.879 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.505 9.101 -7.769 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.259 7.831 -7.821 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.107 9.270 -8.858 1.00 0.00 H new ATOM 20 N GLU A 2 -4.078 8.621 -4.103 1.00 0.00 N ATOM 21 CA GLU A 2 -5.505 8.521 -4.485 1.00 0.00 C ATOM 22 C GLU A 2 -5.692 9.221 -5.834 1.00 0.00 C ATOM 23 O GLU A 2 -5.944 10.406 -5.911 1.00 0.00 O ATOM 24 CB GLU A 2 -6.252 9.235 -3.351 1.00 0.00 C ATOM 25 CG GLU A 2 -7.624 9.692 -3.824 1.00 0.00 C ATOM 26 CD GLU A 2 -8.333 10.430 -2.687 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.653 11.099 -1.926 1.00 0.00 O ATOM 28 OE2 GLU A 2 -9.545 10.313 -2.595 1.00 0.00 O ATOM 0 H GLU A 2 -3.760 9.562 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.870 7.501 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.359 8.564 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.673 10.094 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.523 10.346 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.216 8.834 -4.140 1.00 0.00 H new ATOM 35 N VAL A 3 -5.537 8.493 -6.902 1.00 0.00 N ATOM 36 CA VAL A 3 -5.681 9.104 -8.252 1.00 0.00 C ATOM 37 C VAL A 3 -7.141 9.001 -8.712 1.00 0.00 C ATOM 38 O VAL A 3 -7.945 8.331 -8.095 1.00 0.00 O ATOM 39 CB VAL A 3 -4.762 8.271 -9.147 1.00 0.00 C ATOM 40 CG1 VAL A 3 -3.365 8.170 -8.516 1.00 0.00 C ATOM 41 CG2 VAL A 3 -5.349 6.871 -9.316 1.00 0.00 C ATOM 0 H VAL A 3 -5.316 7.497 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.418 10.162 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.679 8.753 -10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.717 7.575 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.944 9.169 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.441 7.694 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.695 6.277 -9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.437 6.393 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.335 6.943 -9.775 1.00 0.00 H new ATOM 51 N ASN A 4 -7.498 9.655 -9.786 1.00 0.00 N ATOM 52 CA ASN A 4 -8.912 9.574 -10.260 1.00 0.00 C ATOM 53 C ASN A 4 -8.999 8.711 -11.530 1.00 0.00 C ATOM 54 O ASN A 4 -8.001 8.403 -12.153 1.00 0.00 O ATOM 55 CB ASN A 4 -9.353 11.016 -10.561 1.00 0.00 C ATOM 56 CG ASN A 4 -8.571 12.016 -9.701 1.00 0.00 C ATOM 57 OD1 ASN A 4 -8.948 12.295 -8.580 1.00 0.00 O ATOM 58 ND2 ASN A 4 -7.495 12.574 -10.183 1.00 0.00 N ATOM 0 H ASN A 4 -6.879 10.236 -10.351 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.555 9.115 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.195 11.236 -11.617 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.421 11.122 -10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.971 13.243 -9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.177 12.341 -11.124 1.00 0.00 H new ATOM 65 N LYS A 5 -10.188 8.311 -11.899 1.00 0.00 N ATOM 66 CA LYS A 5 -10.389 7.455 -13.104 1.00 0.00 C ATOM 67 C LYS A 5 -9.339 7.688 -14.203 1.00 0.00 C ATOM 68 O LYS A 5 -8.946 6.762 -14.884 1.00 0.00 O ATOM 69 CB LYS A 5 -11.803 7.780 -13.617 1.00 0.00 C ATOM 70 CG LYS A 5 -12.318 9.153 -13.140 1.00 0.00 C ATOM 71 CD LYS A 5 -11.318 10.254 -13.482 1.00 0.00 C ATOM 72 CE LYS A 5 -12.033 11.605 -13.506 1.00 0.00 C ATOM 73 NZ LYS A 5 -12.597 11.763 -12.138 1.00 0.00 N ATOM 0 H LYS A 5 -11.047 8.548 -11.403 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.275 6.405 -12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.802 7.757 -14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.492 7.004 -13.283 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.278 9.369 -13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.486 9.130 -12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.513 10.270 -12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.860 10.056 -14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.342 12.414 -13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.818 11.623 -14.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.410 12.727 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.623 11.598 -12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.152 11.075 -11.497 1.00 0.00 H new ATOM 87 N LYS A 6 -8.875 8.887 -14.392 1.00 0.00 N ATOM 88 CA LYS A 6 -7.855 9.113 -15.457 1.00 0.00 C ATOM 89 C LYS A 6 -6.471 8.775 -14.920 1.00 0.00 C ATOM 90 O LYS A 6 -5.819 7.860 -15.382 1.00 0.00 O ATOM 91 CB LYS A 6 -7.942 10.599 -15.804 1.00 0.00 C ATOM 92 CG LYS A 6 -9.403 10.995 -16.004 1.00 0.00 C ATOM 93 CD LYS A 6 -9.533 11.838 -17.275 1.00 0.00 C ATOM 94 CE LYS A 6 -10.673 12.847 -17.108 1.00 0.00 C ATOM 95 NZ LYS A 6 -11.041 13.247 -18.495 1.00 0.00 N ATOM 0 H LYS A 6 -9.151 9.715 -13.864 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.031 8.488 -16.333 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.499 11.195 -15.006 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.372 10.805 -16.710 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.025 10.103 -16.081 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.759 11.559 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.597 12.361 -17.474 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.727 11.194 -18.133 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.521 12.402 -16.588 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.355 13.708 -16.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.817 13.938 -18.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.217 13.674 -18.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.346 12.408 -19.029 1.00 0.00 H new ATOM 109 N GLN A 7 -6.021 9.504 -13.944 1.00 0.00 N ATOM 110 CA GLN A 7 -4.682 9.215 -13.374 1.00 0.00 C ATOM 111 C GLN A 7 -4.541 7.712 -13.138 1.00 0.00 C ATOM 112 O GLN A 7 -3.511 7.134 -13.409 1.00 0.00 O ATOM 113 CB GLN A 7 -4.644 9.969 -12.047 1.00 0.00 C ATOM 114 CG GLN A 7 -4.669 11.472 -12.309 1.00 0.00 C ATOM 115 CD GLN A 7 -3.289 12.064 -12.014 1.00 0.00 C ATOM 116 OE1 GLN A 7 -3.175 13.051 -11.315 1.00 0.00 O ATOM 117 NE2 GLN A 7 -2.230 11.498 -12.523 1.00 0.00 N ATOM 0 H GLN A 7 -6.520 10.285 -13.517 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.871 9.520 -14.035 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.496 9.683 -11.431 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.745 9.702 -11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.946 11.667 -13.345 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.423 11.949 -11.682 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -2.327 10.669 -13.110 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.305 11.884 -12.334 1.00 0.00 H new ATOM 126 N LEU A 8 -5.580 7.080 -12.644 1.00 0.00 N ATOM 127 CA LEU A 8 -5.522 5.613 -12.386 1.00 0.00 C ATOM 128 C LEU A 8 -5.230 4.865 -13.671 1.00 0.00 C ATOM 129 O LEU A 8 -4.258 4.143 -13.777 1.00 0.00 O ATOM 130 CB LEU A 8 -6.910 5.242 -11.864 1.00 0.00 C ATOM 131 CG LEU A 8 -6.831 3.937 -11.061 1.00 0.00 C ATOM 132 CD1 LEU A 8 -8.225 3.327 -10.938 1.00 0.00 C ATOM 133 CD2 LEU A 8 -5.913 2.938 -11.771 1.00 0.00 C ATOM 0 H LEU A 8 -6.468 7.523 -12.409 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.735 5.355 -11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.299 6.043 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.603 5.126 -12.697 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.432 4.157 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.167 2.400 -10.367 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.885 4.028 -10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.619 3.117 -11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.864 2.015 -11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.308 2.724 -12.764 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.913 3.363 -11.862 1.00 0.00 H new ATOM 145 N ALA A 9 -6.051 5.032 -14.660 1.00 0.00 N ATOM 146 CA ALA A 9 -5.782 4.318 -15.933 1.00 0.00 C ATOM 147 C ALA A 9 -4.388 4.715 -16.407 1.00 0.00 C ATOM 148 O ALA A 9 -3.709 3.979 -17.093 1.00 0.00 O ATOM 149 CB ALA A 9 -6.853 4.789 -16.907 1.00 0.00 C ATOM 0 H ALA A 9 -6.884 5.621 -14.647 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.812 3.233 -15.837 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.711 4.298 -17.870 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.838 4.538 -16.514 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.778 5.869 -17.036 1.00 0.00 H new ATOM 155 N ASP A 10 -3.958 5.883 -16.013 1.00 0.00 N ATOM 156 CA ASP A 10 -2.601 6.357 -16.396 1.00 0.00 C ATOM 157 C ASP A 10 -1.544 5.620 -15.567 1.00 0.00 C ATOM 158 O ASP A 10 -0.527 5.198 -16.080 1.00 0.00 O ATOM 159 CB ASP A 10 -2.601 7.852 -16.071 1.00 0.00 C ATOM 160 CG ASP A 10 -2.320 8.654 -17.344 1.00 0.00 C ATOM 161 OD1 ASP A 10 -2.587 8.137 -18.416 1.00 0.00 O ATOM 162 OD2 ASP A 10 -1.844 9.771 -17.226 1.00 0.00 O ATOM 0 H ASP A 10 -4.494 6.533 -15.438 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.370 6.173 -17.445 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.564 8.143 -15.651 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.845 8.071 -15.317 1.00 0.00 H new ATOM 167 N ILE A 11 -1.778 5.445 -14.290 1.00 0.00 N ATOM 168 CA ILE A 11 -0.779 4.720 -13.450 1.00 0.00 C ATOM 169 C ILE A 11 -0.396 3.415 -14.124 1.00 0.00 C ATOM 170 O ILE A 11 0.763 3.091 -14.273 1.00 0.00 O ATOM 171 CB ILE A 11 -1.477 4.404 -12.128 1.00 0.00 C ATOM 172 CG1 ILE A 11 -2.129 5.662 -11.561 1.00 0.00 C ATOM 173 CG2 ILE A 11 -0.449 3.866 -11.136 1.00 0.00 C ATOM 174 CD1 ILE A 11 -2.313 5.519 -10.046 1.00 0.00 C ATOM 0 H ILE A 11 -2.610 5.770 -13.798 1.00 0.00 H new ATOM 0 HA ILE A 11 0.120 5.318 -13.304 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.251 3.656 -12.300 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.511 6.532 -11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.094 5.828 -12.039 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.941 3.638 -10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.004 2.959 -11.537 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.325 4.616 -10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.779 6.421 -9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.950 4.659 -9.836 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.341 5.375 -9.574 1.00 0.00 H new ATOM 186 N PHE A 12 -1.370 2.659 -14.519 1.00 0.00 N ATOM 187 CA PHE A 12 -1.077 1.368 -15.171 1.00 0.00 C ATOM 188 C PHE A 12 -0.982 1.560 -16.680 1.00 0.00 C ATOM 189 O PHE A 12 -0.891 0.609 -17.430 1.00 0.00 O ATOM 190 CB PHE A 12 -2.268 0.473 -14.825 1.00 0.00 C ATOM 191 CG PHE A 12 -2.447 0.414 -13.327 1.00 0.00 C ATOM 192 CD1 PHE A 12 -3.103 1.450 -12.649 1.00 0.00 C ATOM 193 CD2 PHE A 12 -1.963 -0.688 -12.617 1.00 0.00 C ATOM 194 CE1 PHE A 12 -3.267 1.382 -11.261 1.00 0.00 C ATOM 195 CE2 PHE A 12 -2.126 -0.756 -11.231 1.00 0.00 C ATOM 196 CZ PHE A 12 -2.776 0.280 -10.551 1.00 0.00 C ATOM 0 H PHE A 12 -2.360 2.882 -14.417 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.132 0.939 -14.838 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.173 0.860 -15.293 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.108 -0.530 -15.221 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.482 2.300 -13.197 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.462 -1.489 -13.141 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.773 2.180 -10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.750 -1.608 -10.684 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.899 0.229 -9.479 1.00 0.00 H new ATOM 206 N GLY A 13 -1.041 2.780 -17.138 1.00 0.00 N ATOM 207 CA GLY A 13 -0.997 3.005 -18.603 1.00 0.00 C ATOM 208 C GLY A 13 -2.179 2.256 -19.204 1.00 0.00 C ATOM 209 O GLY A 13 -2.223 1.970 -20.385 1.00 0.00 O ATOM 0 H GLY A 13 -1.117 3.621 -16.565 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.058 4.069 -18.832 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.058 2.642 -19.021 1.00 0.00 H new ATOM 213 N ALA A 14 -3.140 1.932 -18.377 1.00 0.00 N ATOM 214 CA ALA A 14 -4.334 1.194 -18.854 1.00 0.00 C ATOM 215 C ALA A 14 -5.273 2.143 -19.584 1.00 0.00 C ATOM 216 O ALA A 14 -4.872 3.148 -20.135 1.00 0.00 O ATOM 217 CB ALA A 14 -5.012 0.680 -17.577 1.00 0.00 C ATOM 0 H ALA A 14 -3.142 2.153 -17.381 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.075 0.390 -19.543 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.909 0.120 -17.841 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.324 0.030 -17.036 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.285 1.525 -16.945 1.00 0.00 H new ATOM 223 N SER A 15 -6.530 1.834 -19.558 1.00 0.00 N ATOM 224 CA SER A 15 -7.536 2.704 -20.207 1.00 0.00 C ATOM 225 C SER A 15 -8.675 2.925 -19.219 1.00 0.00 C ATOM 226 O SER A 15 -9.128 2.006 -18.569 1.00 0.00 O ATOM 227 CB SER A 15 -7.996 1.933 -21.436 1.00 0.00 C ATOM 228 OG SER A 15 -8.024 0.545 -21.134 1.00 0.00 O ATOM 0 H SER A 15 -6.910 1.002 -19.107 1.00 0.00 H new ATOM 0 HA SER A 15 -7.154 3.683 -20.495 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.986 2.271 -21.742 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.322 2.122 -22.272 1.00 0.00 H new ATOM 0 HG SER A 15 -7.466 0.059 -21.777 1.00 0.00 H new ATOM 234 N ILE A 16 -9.110 4.138 -19.068 1.00 0.00 N ATOM 235 CA ILE A 16 -10.197 4.405 -18.074 1.00 0.00 C ATOM 236 C ILE A 16 -11.279 3.336 -18.188 1.00 0.00 C ATOM 237 O ILE A 16 -11.773 2.829 -17.202 1.00 0.00 O ATOM 238 CB ILE A 16 -10.804 5.777 -18.383 1.00 0.00 C ATOM 239 CG1 ILE A 16 -9.778 6.726 -18.999 1.00 0.00 C ATOM 240 CG2 ILE A 16 -11.296 6.376 -17.077 1.00 0.00 C ATOM 241 CD1 ILE A 16 -8.531 6.779 -18.128 1.00 0.00 C ATOM 0 H ILE A 16 -8.770 4.953 -19.579 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.789 4.387 -17.063 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.614 5.646 -19.100 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.517 6.391 -20.003 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.206 7.724 -19.097 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.734 7.356 -17.268 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.049 5.722 -16.637 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.459 6.481 -16.387 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.804 7.458 -18.574 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.797 7.135 -17.133 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.097 5.782 -18.052 1.00 0.00 H new ATOM 253 N ARG A 17 -11.645 2.987 -19.386 1.00 0.00 N ATOM 254 CA ARG A 17 -12.688 1.949 -19.568 1.00 0.00 C ATOM 255 C ARG A 17 -12.279 0.701 -18.776 1.00 0.00 C ATOM 256 O ARG A 17 -13.107 -0.018 -18.254 1.00 0.00 O ATOM 257 CB ARG A 17 -12.724 1.733 -21.086 1.00 0.00 C ATOM 258 CG ARG A 17 -12.058 0.422 -21.470 1.00 0.00 C ATOM 259 CD ARG A 17 -10.562 0.602 -21.285 1.00 0.00 C ATOM 260 NE ARG A 17 -9.967 0.552 -22.658 1.00 0.00 N ATOM 261 CZ ARG A 17 -10.530 1.189 -23.653 1.00 0.00 C ATOM 262 NH1 ARG A 17 -10.525 2.494 -23.688 1.00 0.00 N ATOM 263 NH2 ARG A 17 -11.100 0.516 -24.615 1.00 0.00 N ATOM 0 H ARG A 17 -11.265 3.378 -20.248 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.679 2.215 -19.201 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.758 1.734 -21.432 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.220 2.560 -21.586 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.427 -0.393 -20.847 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.289 0.162 -22.503 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.341 1.552 -20.798 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.150 -0.184 -20.652 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.114 0.016 -22.820 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.081 3.023 -22.937 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.965 2.985 -24.466 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.106 -0.504 -24.590 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.540 1.010 -25.392 1.00 0.00 H new ATOM 277 N THR A 18 -10.999 0.475 -18.640 1.00 0.00 N ATOM 278 CA THR A 18 -10.535 -0.685 -17.828 1.00 0.00 C ATOM 279 C THR A 18 -10.752 -0.316 -16.370 1.00 0.00 C ATOM 280 O THR A 18 -11.183 -1.116 -15.564 1.00 0.00 O ATOM 281 CB THR A 18 -9.043 -0.862 -18.122 1.00 0.00 C ATOM 282 OG1 THR A 18 -8.856 -1.173 -19.494 1.00 0.00 O ATOM 283 CG2 THR A 18 -8.485 -2.003 -17.265 1.00 0.00 C ATOM 0 H THR A 18 -10.259 1.041 -19.054 1.00 0.00 H new ATOM 0 HA THR A 18 -11.066 -1.609 -18.055 1.00 0.00 H new ATOM 0 HB THR A 18 -8.520 0.065 -17.887 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.250 -0.518 -19.898 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.423 -2.129 -17.474 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.621 -1.766 -16.210 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.013 -2.927 -17.500 1.00 0.00 H new ATOM 291 N ILE A 19 -10.486 0.922 -16.037 1.00 0.00 N ATOM 292 CA ILE A 19 -10.713 1.369 -14.644 1.00 0.00 C ATOM 293 C ILE A 19 -12.189 1.162 -14.310 1.00 0.00 C ATOM 294 O ILE A 19 -12.556 0.877 -13.188 1.00 0.00 O ATOM 295 CB ILE A 19 -10.367 2.855 -14.628 1.00 0.00 C ATOM 296 CG1 ILE A 19 -8.961 3.065 -15.187 1.00 0.00 C ATOM 297 CG2 ILE A 19 -10.413 3.369 -13.192 1.00 0.00 C ATOM 298 CD1 ILE A 19 -7.996 2.105 -14.495 1.00 0.00 C ATOM 0 H ILE A 19 -10.123 1.634 -16.671 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.114 0.821 -13.917 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.087 3.397 -15.241 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.955 2.892 -16.263 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.644 4.096 -15.028 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.166 4.431 -13.177 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.414 3.224 -12.785 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.692 2.821 -12.586 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.991 2.251 -14.891 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.996 2.300 -13.423 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.312 1.078 -14.677 1.00 0.00 H new ATOM 310 N GLN A 20 -13.035 1.275 -15.301 1.00 0.00 N ATOM 311 CA GLN A 20 -14.484 1.058 -15.073 1.00 0.00 C ATOM 312 C GLN A 20 -14.696 -0.429 -14.837 1.00 0.00 C ATOM 313 O GLN A 20 -15.632 -0.847 -14.183 1.00 0.00 O ATOM 314 CB GLN A 20 -15.170 1.507 -16.364 1.00 0.00 C ATOM 315 CG GLN A 20 -15.021 3.021 -16.527 1.00 0.00 C ATOM 316 CD GLN A 20 -16.343 3.616 -17.016 1.00 0.00 C ATOM 317 OE1 GLN A 20 -17.260 2.892 -17.351 1.00 0.00 O ATOM 318 NE2 GLN A 20 -16.480 4.913 -17.071 1.00 0.00 N ATOM 0 H GLN A 20 -12.778 1.509 -16.260 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.879 1.605 -14.217 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.729 0.994 -17.219 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.226 1.236 -16.340 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.736 3.473 -15.577 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.225 3.244 -17.237 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.710 5.520 -16.790 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.357 5.320 -17.395 1.00 0.00 H new ATOM 327 N ASN A 21 -13.806 -1.231 -15.354 1.00 0.00 N ATOM 328 CA ASN A 21 -13.920 -2.693 -15.148 1.00 0.00 C ATOM 329 C ASN A 21 -13.261 -3.053 -13.820 1.00 0.00 C ATOM 330 O ASN A 21 -13.659 -3.979 -13.140 1.00 0.00 O ATOM 331 CB ASN A 21 -13.177 -3.329 -16.319 1.00 0.00 C ATOM 332 CG ASN A 21 -14.077 -4.366 -16.992 1.00 0.00 C ATOM 333 OD1 ASN A 21 -14.955 -4.021 -17.758 1.00 0.00 O ATOM 334 ND2 ASN A 21 -13.894 -5.633 -16.738 1.00 0.00 N ATOM 0 H ASN A 21 -13.005 -0.932 -15.910 1.00 0.00 H new ATOM 0 HA ASN A 21 -14.953 -3.040 -15.111 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.886 -2.563 -17.038 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.260 -3.801 -15.968 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.488 -6.333 -17.182 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.157 -5.923 -16.095 1.00 0.00 H new ATOM 341 N TRP A 22 -12.266 -2.300 -13.438 1.00 0.00 N ATOM 342 CA TRP A 22 -11.582 -2.559 -12.144 1.00 0.00 C ATOM 343 C TRP A 22 -12.536 -2.239 -10.998 1.00 0.00 C ATOM 344 O TRP A 22 -12.696 -3.006 -10.069 1.00 0.00 O ATOM 345 CB TRP A 22 -10.409 -1.586 -12.123 1.00 0.00 C ATOM 346 CG TRP A 22 -9.295 -2.115 -12.961 1.00 0.00 C ATOM 347 CD1 TRP A 22 -9.379 -3.170 -13.804 1.00 0.00 C ATOM 348 CD2 TRP A 22 -7.930 -1.631 -13.047 1.00 0.00 C ATOM 349 NE1 TRP A 22 -8.145 -3.362 -14.400 1.00 0.00 N ATOM 350 CE2 TRP A 22 -7.220 -2.436 -13.964 1.00 0.00 C ATOM 351 CE3 TRP A 22 -7.249 -0.579 -12.418 1.00 0.00 C ATOM 352 CZ2 TRP A 22 -5.875 -2.203 -14.249 1.00 0.00 C ATOM 353 CZ3 TRP A 22 -5.896 -0.340 -12.701 1.00 0.00 C ATOM 354 CH2 TRP A 22 -5.212 -1.151 -13.616 1.00 0.00 C ATOM 0 H TRP A 22 -11.897 -1.513 -13.971 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.262 -3.595 -12.037 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.726 -0.613 -12.497 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.066 -1.438 -11.099 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.263 -3.764 -13.982 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.944 -4.097 -15.078 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.769 0.051 -11.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.351 -2.832 -14.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.380 0.472 -12.212 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.171 -0.962 -13.832 1.00 0.00 H new ATOM 365 N GLN A 23 -13.176 -1.105 -11.065 1.00 0.00 N ATOM 366 CA GLN A 23 -14.127 -0.721 -9.990 1.00 0.00 C ATOM 367 C GLN A 23 -15.153 -1.841 -9.788 1.00 0.00 C ATOM 368 O GLN A 23 -15.747 -1.974 -8.737 1.00 0.00 O ATOM 369 CB GLN A 23 -14.806 0.552 -10.499 1.00 0.00 C ATOM 370 CG GLN A 23 -15.350 0.313 -11.910 1.00 0.00 C ATOM 371 CD GLN A 23 -16.516 1.267 -12.179 1.00 0.00 C ATOM 372 OE1 GLN A 23 -16.805 2.135 -11.379 1.00 0.00 O ATOM 373 NE2 GLN A 23 -17.204 1.142 -13.282 1.00 0.00 N ATOM 0 H GLN A 23 -13.080 -0.427 -11.821 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.636 -0.558 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.617 0.837 -9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.094 1.378 -10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.561 0.470 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.681 -0.720 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.962 0.414 -13.954 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.983 1.773 -13.471 1.00 0.00 H new ATOM 382 N GLU A 24 -15.363 -2.647 -10.798 1.00 0.00 N ATOM 383 CA GLU A 24 -16.351 -3.760 -10.678 1.00 0.00 C ATOM 384 C GLU A 24 -15.636 -5.081 -10.366 1.00 0.00 C ATOM 385 O GLU A 24 -16.253 -6.053 -9.980 1.00 0.00 O ATOM 386 CB GLU A 24 -17.032 -3.833 -12.045 1.00 0.00 C ATOM 387 CG GLU A 24 -17.955 -2.625 -12.222 1.00 0.00 C ATOM 388 CD GLU A 24 -18.475 -2.584 -13.660 1.00 0.00 C ATOM 389 OE1 GLU A 24 -17.879 -3.232 -14.505 1.00 0.00 O ATOM 390 OE2 GLU A 24 -19.461 -1.904 -13.894 1.00 0.00 O ATOM 0 H GLU A 24 -14.892 -2.582 -11.701 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.064 -3.589 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.282 -3.850 -12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -17.605 -4.757 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -18.790 -2.687 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -17.416 -1.706 -11.993 1.00 0.00 H new ATOM 397 N GLN A 25 -14.342 -5.124 -10.528 1.00 0.00 N ATOM 398 CA GLN A 25 -13.600 -6.385 -10.235 1.00 0.00 C ATOM 399 C GLN A 25 -13.169 -6.404 -8.770 1.00 0.00 C ATOM 400 O GLN A 25 -12.276 -7.130 -8.380 1.00 0.00 O ATOM 401 CB GLN A 25 -12.378 -6.354 -11.156 1.00 0.00 C ATOM 402 CG GLN A 25 -12.809 -6.727 -12.575 1.00 0.00 C ATOM 403 CD GLN A 25 -11.765 -6.234 -13.581 1.00 0.00 C ATOM 404 OE1 GLN A 25 -12.102 -5.850 -14.683 1.00 0.00 O ATOM 405 NE2 GLN A 25 -10.502 -6.228 -13.247 1.00 0.00 N ATOM 0 H GLN A 25 -13.768 -4.345 -10.849 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.208 -7.274 -10.403 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.927 -5.362 -11.149 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.620 -7.051 -10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.925 -7.808 -12.657 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.780 -6.284 -12.798 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.218 -6.550 -12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.800 -5.901 -13.911 1.00 0.00 H new ATOM 414 N GLY A 26 -13.803 -5.610 -7.956 1.00 0.00 N ATOM 415 CA GLY A 26 -13.439 -5.576 -6.511 1.00 0.00 C ATOM 416 C GLY A 26 -12.192 -4.716 -6.320 1.00 0.00 C ATOM 417 O GLY A 26 -11.456 -4.876 -5.368 1.00 0.00 O ATOM 0 H GLY A 26 -14.559 -4.981 -8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.265 -5.172 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.256 -6.587 -6.147 1.00 0.00 H new ATOM 421 N MET A 27 -11.946 -3.803 -7.217 1.00 0.00 N ATOM 422 CA MET A 27 -10.744 -2.936 -7.079 1.00 0.00 C ATOM 423 C MET A 27 -10.944 -1.935 -5.941 1.00 0.00 C ATOM 424 O MET A 27 -11.959 -1.271 -5.870 1.00 0.00 O ATOM 425 CB MET A 27 -10.620 -2.213 -8.417 1.00 0.00 C ATOM 426 CG MET A 27 -9.230 -1.590 -8.527 1.00 0.00 C ATOM 427 SD MET A 27 -9.236 0.033 -7.729 1.00 0.00 S ATOM 428 CE MET A 27 -10.108 0.923 -9.038 1.00 0.00 C ATOM 0 H MET A 27 -12.524 -3.620 -8.038 1.00 0.00 H new ATOM 0 HA MET A 27 -9.847 -3.508 -6.843 1.00 0.00 H new ATOM 0 HB2 MET A 27 -10.784 -2.912 -9.237 1.00 0.00 H new ATOM 0 HB3 MET A 27 -11.385 -1.441 -8.498 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.491 -2.237 -8.055 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.945 -1.492 -9.574 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.558 1.830 -9.290 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.185 0.288 -9.921 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.107 1.189 -8.694 1.00 0.00 H new ATOM 438 N PRO A 28 -9.964 -1.866 -5.081 1.00 0.00 N ATOM 439 CA PRO A 28 -10.033 -0.941 -3.927 1.00 0.00 C ATOM 440 C PRO A 28 -9.901 0.508 -4.389 1.00 0.00 C ATOM 441 O PRO A 28 -8.825 1.077 -4.389 1.00 0.00 O ATOM 442 CB PRO A 28 -8.839 -1.348 -3.067 1.00 0.00 C ATOM 443 CG PRO A 28 -7.882 -1.981 -4.022 1.00 0.00 C ATOM 444 CD PRO A 28 -8.709 -2.629 -5.100 1.00 0.00 C ATOM 0 HA PRO A 28 -10.980 -1.001 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.393 -0.484 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.135 -2.045 -2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.209 -1.236 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.261 -2.719 -3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.219 -2.569 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.879 -3.686 -4.893 1.00 0.00 H new ATOM 452 N VAL A 29 -10.991 1.124 -4.747 1.00 0.00 N ATOM 453 CA VAL A 29 -10.915 2.553 -5.166 1.00 0.00 C ATOM 454 C VAL A 29 -10.877 3.403 -3.896 1.00 0.00 C ATOM 455 O VAL A 29 -11.223 2.944 -2.826 1.00 0.00 O ATOM 456 CB VAL A 29 -12.127 2.865 -6.086 1.00 0.00 C ATOM 457 CG1 VAL A 29 -13.057 1.670 -6.232 1.00 0.00 C ATOM 458 CG2 VAL A 29 -12.916 4.047 -5.552 1.00 0.00 C ATOM 0 H VAL A 29 -11.922 0.708 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.018 2.777 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.721 3.106 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.890 1.935 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.509 0.833 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.440 1.385 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.760 4.249 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.283 3.817 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.272 4.925 -5.509 1.00 0.00 H new ATOM 468 N LEU A 30 -10.439 4.619 -3.992 1.00 0.00 N ATOM 469 CA LEU A 30 -10.359 5.463 -2.780 1.00 0.00 C ATOM 470 C LEU A 30 -11.753 5.834 -2.320 1.00 0.00 C ATOM 471 O LEU A 30 -12.273 5.292 -1.368 1.00 0.00 O ATOM 472 CB LEU A 30 -9.600 6.715 -3.240 1.00 0.00 C ATOM 473 CG LEU A 30 -8.219 6.822 -2.572 1.00 0.00 C ATOM 474 CD1 LEU A 30 -8.335 7.640 -1.287 1.00 0.00 C ATOM 475 CD2 LEU A 30 -7.662 5.434 -2.246 1.00 0.00 C ATOM 0 H LEU A 30 -10.133 5.065 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.868 4.962 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.479 6.690 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.187 7.603 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.537 7.315 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.356 7.715 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.702 8.639 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.030 7.150 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.685 5.536 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.341 4.920 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.563 4.857 -3.165 1.00 0.00 H new ATOM 606 N LEU A 40 -12.789 7.504 -6.783 1.00 0.00 N ATOM 607 CA LEU A 40 -11.320 7.741 -6.868 1.00 0.00 C ATOM 608 C LEU A 40 -10.588 6.411 -6.847 1.00 0.00 C ATOM 609 O LEU A 40 -11.190 5.366 -6.988 1.00 0.00 O ATOM 610 CB LEU A 40 -10.958 8.580 -5.650 1.00 0.00 C ATOM 611 CG LEU A 40 -10.874 10.032 -6.074 1.00 0.00 C ATOM 612 CD1 LEU A 40 -11.661 10.881 -5.079 1.00 0.00 C ATOM 613 CD2 LEU A 40 -9.406 10.459 -6.111 1.00 0.00 C ATOM 0 HA LEU A 40 -11.039 8.253 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.708 8.456 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.006 8.251 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.300 10.167 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.608 11.929 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.702 10.559 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.235 10.762 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.338 11.503 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.968 10.341 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.864 9.837 -6.824 1.00 0.00 H new ATOM 625 N TYR A 41 -9.296 6.423 -6.708 1.00 0.00 N ATOM 626 CA TYR A 41 -8.571 5.131 -6.728 1.00 0.00 C ATOM 627 C TYR A 41 -7.314 5.136 -5.864 1.00 0.00 C ATOM 628 O TYR A 41 -6.450 5.979 -6.000 1.00 0.00 O ATOM 629 CB TYR A 41 -8.212 4.961 -8.195 1.00 0.00 C ATOM 630 CG TYR A 41 -9.494 4.846 -8.970 1.00 0.00 C ATOM 631 CD1 TYR A 41 -10.308 3.742 -8.755 1.00 0.00 C ATOM 632 CD2 TYR A 41 -9.874 5.832 -9.888 1.00 0.00 C ATOM 633 CE1 TYR A 41 -11.507 3.603 -9.454 1.00 0.00 C ATOM 634 CE2 TYR A 41 -11.075 5.695 -10.594 1.00 0.00 C ATOM 635 CZ TYR A 41 -11.892 4.579 -10.379 1.00 0.00 C ATOM 636 OH TYR A 41 -13.068 4.437 -11.090 1.00 0.00 O ATOM 0 H TYR A 41 -8.720 7.256 -6.584 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.176 4.322 -6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.628 5.811 -8.547 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.598 4.072 -8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.011 2.987 -8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.244 6.694 -10.051 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.137 2.743 -9.281 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.372 6.451 -11.306 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.184 5.205 -11.688 1.00 0.00 H new ATOM 646 N ASP A 42 -7.195 4.162 -5.002 1.00 0.00 N ATOM 647 CA ASP A 42 -5.979 4.061 -4.154 1.00 0.00 C ATOM 648 C ASP A 42 -4.843 3.548 -5.026 1.00 0.00 C ATOM 649 O ASP A 42 -4.510 2.383 -5.004 1.00 0.00 O ATOM 650 CB ASP A 42 -6.325 3.040 -3.074 1.00 0.00 C ATOM 651 CG ASP A 42 -5.608 3.403 -1.772 1.00 0.00 C ATOM 652 OD1 ASP A 42 -4.389 3.450 -1.782 1.00 0.00 O ATOM 653 OD2 ASP A 42 -6.291 3.627 -0.786 1.00 0.00 O ATOM 0 H ASP A 42 -7.891 3.432 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.677 5.011 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.403 3.018 -2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.030 2.041 -3.396 1.00 0.00 H new ATOM 658 N SER A 43 -4.276 4.416 -5.816 1.00 0.00 N ATOM 659 CA SER A 43 -3.178 4.014 -6.735 1.00 0.00 C ATOM 660 C SER A 43 -2.329 2.887 -6.146 1.00 0.00 C ATOM 661 O SER A 43 -1.852 2.037 -6.865 1.00 0.00 O ATOM 662 CB SER A 43 -2.343 5.273 -6.920 1.00 0.00 C ATOM 663 OG SER A 43 -1.059 4.913 -7.406 1.00 0.00 O ATOM 0 H SER A 43 -4.532 5.402 -5.864 1.00 0.00 H new ATOM 0 HA SER A 43 -3.569 3.629 -7.677 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.833 5.950 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.251 5.805 -5.973 1.00 0.00 H new ATOM 0 HG SER A 43 -0.831 4.013 -7.093 1.00 0.00 H new ATOM 669 N ALA A 44 -2.146 2.850 -4.854 1.00 0.00 N ATOM 670 CA ALA A 44 -1.328 1.740 -4.275 1.00 0.00 C ATOM 671 C ALA A 44 -2.220 0.538 -4.008 1.00 0.00 C ATOM 672 O ALA A 44 -1.911 -0.575 -4.382 1.00 0.00 O ATOM 673 CB ALA A 44 -0.729 2.262 -2.973 1.00 0.00 C ATOM 0 H ALA A 44 -2.518 3.524 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.539 1.427 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.122 1.482 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.106 3.132 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.531 2.546 -2.292 1.00 0.00 H new ATOM 679 N ALA A 45 -3.344 0.746 -3.394 1.00 0.00 N ATOM 680 CA ALA A 45 -4.247 -0.400 -3.158 1.00 0.00 C ATOM 681 C ALA A 45 -4.717 -0.882 -4.522 1.00 0.00 C ATOM 682 O ALA A 45 -5.043 -2.034 -4.722 1.00 0.00 O ATOM 683 CB ALA A 45 -5.409 0.144 -2.333 1.00 0.00 C ATOM 0 H ALA A 45 -3.672 1.648 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.778 -1.232 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.115 -0.660 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.031 0.547 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.913 0.934 -2.890 1.00 0.00 H new ATOM 689 N VAL A 46 -4.722 0.015 -5.470 1.00 0.00 N ATOM 690 CA VAL A 46 -5.133 -0.351 -6.845 1.00 0.00 C ATOM 691 C VAL A 46 -4.092 -1.281 -7.452 1.00 0.00 C ATOM 692 O VAL A 46 -4.352 -1.962 -8.418 1.00 0.00 O ATOM 693 CB VAL A 46 -5.165 0.961 -7.629 1.00 0.00 C ATOM 694 CG1 VAL A 46 -5.457 0.671 -9.103 1.00 0.00 C ATOM 695 CG2 VAL A 46 -6.253 1.868 -7.068 1.00 0.00 C ATOM 0 H VAL A 46 -4.456 0.992 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.098 -0.858 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.198 1.456 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.480 1.607 -9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.677 0.026 -9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.422 0.173 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.273 2.802 -7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.220 1.372 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.046 2.079 -6.019 1.00 0.00 H new ATOM 705 N ILE A 47 -2.910 -1.311 -6.897 1.00 0.00 N ATOM 706 CA ILE A 47 -1.862 -2.209 -7.471 1.00 0.00 C ATOM 707 C ILE A 47 -1.832 -3.537 -6.735 1.00 0.00 C ATOM 708 O ILE A 47 -2.002 -4.584 -7.330 1.00 0.00 O ATOM 709 CB ILE A 47 -0.492 -1.520 -7.387 1.00 0.00 C ATOM 710 CG1 ILE A 47 -0.530 -0.205 -6.573 1.00 0.00 C ATOM 711 CG2 ILE A 47 -0.074 -1.248 -8.818 1.00 0.00 C ATOM 712 CD1 ILE A 47 0.423 0.847 -7.159 1.00 0.00 C ATOM 0 H ILE A 47 -2.626 -0.763 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.100 -2.407 -8.516 1.00 0.00 H new ATOM 0 HB ILE A 47 0.217 -2.162 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.546 0.189 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.257 -0.409 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.899 -0.756 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.009 -2.190 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.811 -0.602 -9.296 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.371 1.758 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.443 0.462 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.133 1.069 -8.186 1.00 0.00 H new ATOM 724 N LYS A 48 -1.635 -3.514 -5.450 1.00 0.00 N ATOM 725 CA LYS A 48 -1.618 -4.788 -4.696 1.00 0.00 C ATOM 726 C LYS A 48 -2.817 -5.623 -5.158 1.00 0.00 C ATOM 727 O LYS A 48 -2.740 -6.826 -5.340 1.00 0.00 O ATOM 728 CB LYS A 48 -1.749 -4.361 -3.228 1.00 0.00 C ATOM 729 CG LYS A 48 -2.372 -5.491 -2.405 1.00 0.00 C ATOM 730 CD LYS A 48 -2.099 -5.251 -0.918 1.00 0.00 C ATOM 731 CE LYS A 48 -2.857 -4.003 -0.453 1.00 0.00 C ATOM 732 NZ LYS A 48 -2.263 -3.649 0.870 1.00 0.00 N ATOM 0 H LYS A 48 -1.486 -2.672 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.723 -5.392 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.768 -4.106 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.366 -3.465 -3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.446 -5.537 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.956 -6.451 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.412 -6.118 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.030 -5.123 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.744 -3.186 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.925 -4.202 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.735 -2.803 1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.392 -4.441 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.248 -3.456 0.754 1.00 0.00 H new ATOM 746 N TRP A 49 -3.918 -4.960 -5.389 1.00 0.00 N ATOM 747 CA TRP A 49 -5.141 -5.659 -5.875 1.00 0.00 C ATOM 748 C TRP A 49 -5.052 -5.875 -7.392 1.00 0.00 C ATOM 749 O TRP A 49 -5.652 -6.781 -7.935 1.00 0.00 O ATOM 750 CB TRP A 49 -6.298 -4.704 -5.535 1.00 0.00 C ATOM 751 CG TRP A 49 -7.444 -4.941 -6.471 1.00 0.00 C ATOM 752 CD1 TRP A 49 -8.576 -5.606 -6.157 1.00 0.00 C ATOM 753 CD2 TRP A 49 -7.575 -4.540 -7.867 1.00 0.00 C ATOM 754 NE1 TRP A 49 -9.400 -5.638 -7.271 1.00 0.00 N ATOM 755 CE2 TRP A 49 -8.826 -4.993 -8.351 1.00 0.00 C ATOM 756 CE3 TRP A 49 -6.740 -3.833 -8.753 1.00 0.00 C ATOM 757 CZ2 TRP A 49 -9.233 -4.756 -9.663 1.00 0.00 C ATOM 758 CZ3 TRP A 49 -7.150 -3.593 -10.075 1.00 0.00 C ATOM 759 CH2 TRP A 49 -8.393 -4.054 -10.529 1.00 0.00 C ATOM 0 H TRP A 49 -4.023 -3.954 -5.260 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.272 -6.640 -5.419 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.620 -4.860 -4.505 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.962 -3.670 -5.611 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.803 -6.042 -5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.318 -6.083 -7.292 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.779 -3.473 -8.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.192 -5.113 -10.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.502 -3.049 -10.747 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.701 -3.866 -11.547 1.00 0.00 H new ATOM 770 N TYR A 50 -4.323 -5.043 -8.082 1.00 0.00 N ATOM 771 CA TYR A 50 -4.222 -5.193 -9.553 1.00 0.00 C ATOM 772 C TYR A 50 -3.250 -6.315 -9.887 1.00 0.00 C ATOM 773 O TYR A 50 -3.513 -7.154 -10.724 1.00 0.00 O ATOM 774 CB TYR A 50 -3.710 -3.828 -10.026 1.00 0.00 C ATOM 775 CG TYR A 50 -2.877 -3.925 -11.289 1.00 0.00 C ATOM 776 CD1 TYR A 50 -1.595 -4.485 -11.258 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.381 -3.407 -12.486 1.00 0.00 C ATOM 778 CE1 TYR A 50 -0.824 -4.538 -12.427 1.00 0.00 C ATOM 779 CE2 TYR A 50 -2.610 -3.453 -13.654 1.00 0.00 C ATOM 780 CZ TYR A 50 -1.332 -4.021 -13.625 1.00 0.00 C ATOM 781 OH TYR A 50 -0.571 -4.070 -14.775 1.00 0.00 O ATOM 0 H TYR A 50 -3.794 -4.266 -7.687 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.163 -5.458 -10.036 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.558 -3.167 -10.204 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.113 -3.374 -9.235 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.199 -4.877 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.368 -2.970 -12.510 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.162 -4.978 -12.404 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.002 -3.050 -14.576 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.072 -3.670 -15.516 1.00 0.00 H new ATOM 791 N ALA A 51 -2.141 -6.357 -9.219 1.00 0.00 N ATOM 792 CA ALA A 51 -1.169 -7.434 -9.485 1.00 0.00 C ATOM 793 C ALA A 51 -1.825 -8.760 -9.148 1.00 0.00 C ATOM 794 O ALA A 51 -1.401 -9.812 -9.584 1.00 0.00 O ATOM 795 CB ALA A 51 -0.009 -7.140 -8.541 1.00 0.00 C ATOM 0 H ALA A 51 -1.867 -5.689 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.834 -7.484 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.766 -7.895 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.402 -6.156 -8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.365 -7.158 -7.511 1.00 0.00 H new ATOM 1092 N MET B 1 1.434 6.042 -17.214 1.00 0.00 N ATOM 1093 CA MET B 1 1.804 7.330 -16.562 1.00 0.00 C ATOM 1094 C MET B 1 3.308 7.361 -16.290 1.00 0.00 C ATOM 1095 O MET B 1 3.924 6.352 -16.014 1.00 0.00 O ATOM 1096 CB MET B 1 1.001 7.360 -15.254 1.00 0.00 C ATOM 1097 CG MET B 1 1.673 8.265 -14.217 1.00 0.00 C ATOM 1098 SD MET B 1 0.483 9.499 -13.639 1.00 0.00 S ATOM 1099 CE MET B 1 -0.196 8.529 -12.270 1.00 0.00 C ATOM 0 H1 MET B 1 0.516 5.719 -16.848 1.00 0.00 H new ATOM 0 H2 MET B 1 1.367 6.180 -18.243 1.00 0.00 H new ATOM 0 H3 MET B 1 2.161 5.327 -17.007 1.00 0.00 H new ATOM 0 HA MET B 1 1.581 8.196 -17.185 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.010 7.716 -15.452 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.910 6.349 -14.856 1.00 0.00 H new ATOM 0 HG2 MET B 1 2.034 7.670 -13.378 1.00 0.00 H new ATOM 0 HG3 MET B 1 2.541 8.758 -14.655 1.00 0.00 H new ATOM 0 HE1 MET B 1 -1.285 8.547 -12.316 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.154 7.499 -12.345 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.134 8.956 -11.323 1.00 0.00 H new ATOM 1111 N GLU B 2 3.894 8.518 -16.361 1.00 0.00 N ATOM 1112 CA GLU B 2 5.345 8.646 -16.105 1.00 0.00 C ATOM 1113 C GLU B 2 5.542 9.493 -14.846 1.00 0.00 C ATOM 1114 O GLU B 2 5.581 10.707 -14.893 1.00 0.00 O ATOM 1115 CB GLU B 2 5.880 9.342 -17.357 1.00 0.00 C ATOM 1116 CG GLU B 2 7.199 10.026 -17.041 1.00 0.00 C ATOM 1117 CD GLU B 2 7.834 10.531 -18.339 1.00 0.00 C ATOM 1118 OE1 GLU B 2 7.281 10.255 -19.391 1.00 0.00 O ATOM 1119 OE2 GLU B 2 8.860 11.184 -18.258 1.00 0.00 O ATOM 0 H GLU B 2 3.420 9.392 -16.589 1.00 0.00 H new ATOM 0 HA GLU B 2 5.860 7.701 -15.932 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.019 8.615 -18.157 1.00 0.00 H new ATOM 0 HB3 GLU B 2 5.156 10.075 -17.714 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.035 10.858 -16.356 1.00 0.00 H new ATOM 0 HG3 GLU B 2 7.872 9.329 -16.541 1.00 0.00 H new ATOM 1126 N VAL B 3 5.631 8.853 -13.714 1.00 0.00 N ATOM 1127 CA VAL B 3 5.790 9.604 -12.439 1.00 0.00 C ATOM 1128 C VAL B 3 7.273 9.743 -12.084 1.00 0.00 C ATOM 1129 O VAL B 3 8.117 9.057 -12.627 1.00 0.00 O ATOM 1130 CB VAL B 3 5.056 8.761 -11.391 1.00 0.00 C ATOM 1131 CG1 VAL B 3 3.693 8.304 -11.932 1.00 0.00 C ATOM 1132 CG2 VAL B 3 5.900 7.536 -11.040 1.00 0.00 C ATOM 0 H VAL B 3 5.600 7.838 -13.617 1.00 0.00 H new ATOM 0 HA VAL B 3 5.389 10.615 -12.501 1.00 0.00 H new ATOM 0 HB VAL B 3 4.897 9.368 -10.499 1.00 0.00 H new ATOM 0 HG11 VAL B 3 3.183 7.706 -11.176 1.00 0.00 H new ATOM 0 HG12 VAL B 3 3.086 9.177 -12.174 1.00 0.00 H new ATOM 0 HG13 VAL B 3 3.841 7.704 -12.830 1.00 0.00 H new ATOM 0 HG21 VAL B 3 5.378 6.936 -10.294 1.00 0.00 H new ATOM 0 HG22 VAL B 3 6.064 6.938 -11.937 1.00 0.00 H new ATOM 0 HG23 VAL B 3 6.860 7.859 -10.638 1.00 0.00 H new ATOM 1142 N ASN B 4 7.600 10.623 -11.175 1.00 0.00 N ATOM 1143 CA ASN B 4 9.030 10.797 -10.791 1.00 0.00 C ATOM 1144 C ASN B 4 9.354 9.919 -9.577 1.00 0.00 C ATOM 1145 O ASN B 4 8.551 9.122 -9.148 1.00 0.00 O ATOM 1146 CB ASN B 4 9.179 12.282 -10.449 1.00 0.00 C ATOM 1147 CG ASN B 4 8.599 12.559 -9.061 1.00 0.00 C ATOM 1148 OD1 ASN B 4 9.265 12.369 -8.063 1.00 0.00 O ATOM 1149 ND2 ASN B 4 7.376 13.000 -8.955 1.00 0.00 N ATOM 0 H ASN B 4 6.941 11.227 -10.684 1.00 0.00 H new ATOM 0 HA ASN B 4 9.714 10.502 -11.587 1.00 0.00 H new ATOM 0 HB2 ASN B 4 10.231 12.566 -10.476 1.00 0.00 H new ATOM 0 HB3 ASN B 4 8.665 12.889 -11.195 1.00 0.00 H new ATOM 0 HD21 ASN B 4 6.979 13.185 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN B 4 6.817 13.159 -9.793 1.00 0.00 H new ATOM 1156 N LYS B 5 10.531 10.051 -9.035 1.00 0.00 N ATOM 1157 CA LYS B 5 10.926 9.208 -7.863 1.00 0.00 C ATOM 1158 C LYS B 5 9.905 9.287 -6.727 1.00 0.00 C ATOM 1159 O LYS B 5 9.725 8.344 -5.977 1.00 0.00 O ATOM 1160 CB LYS B 5 12.257 9.796 -7.401 1.00 0.00 C ATOM 1161 CG LYS B 5 13.388 8.804 -7.670 1.00 0.00 C ATOM 1162 CD LYS B 5 13.003 7.429 -7.121 1.00 0.00 C ATOM 1163 CE LYS B 5 14.021 6.996 -6.065 1.00 0.00 C ATOM 1164 NZ LYS B 5 15.349 7.183 -6.711 1.00 0.00 N ATOM 0 H LYS B 5 11.243 10.709 -9.352 1.00 0.00 H new ATOM 0 HA LYS B 5 10.989 8.155 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS B 5 12.451 10.732 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS B 5 12.212 10.029 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS B 5 13.581 8.739 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS B 5 14.309 9.150 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS B 5 12.005 7.467 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.970 6.699 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS B 5 13.933 7.599 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS B 5 13.868 5.958 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 15.973 6.391 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 15.231 7.214 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 15.772 8.075 -6.384 1.00 0.00 H new ATOM 1178 N LYS B 6 9.249 10.397 -6.573 1.00 0.00 N ATOM 1179 CA LYS B 6 8.272 10.525 -5.469 1.00 0.00 C ATOM 1180 C LYS B 6 6.917 9.958 -5.890 1.00 0.00 C ATOM 1181 O LYS B 6 6.449 8.978 -5.345 1.00 0.00 O ATOM 1182 CB LYS B 6 8.197 12.027 -5.214 1.00 0.00 C ATOM 1183 CG LYS B 6 6.939 12.339 -4.422 1.00 0.00 C ATOM 1184 CD LYS B 6 7.268 13.345 -3.317 1.00 0.00 C ATOM 1185 CE LYS B 6 8.031 12.643 -2.192 1.00 0.00 C ATOM 1186 NZ LYS B 6 8.488 13.742 -1.298 1.00 0.00 N ATOM 0 H LYS B 6 9.348 11.221 -7.165 1.00 0.00 H new ATOM 0 HA LYS B 6 8.561 9.973 -4.574 1.00 0.00 H new ATOM 0 HB2 LYS B 6 9.078 12.359 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS B 6 8.189 12.568 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS B 6 6.172 12.745 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS B 6 6.534 11.425 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS B 6 7.867 14.161 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS B 6 6.350 13.785 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS B 6 7.391 11.940 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS B 6 8.875 12.074 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 9.021 13.341 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 9.100 14.392 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 7.663 14.262 -0.937 1.00 0.00 H new ATOM 1200 N GLN B 7 6.285 10.555 -6.856 1.00 0.00 N ATOM 1201 CA GLN B 7 4.968 10.028 -7.302 1.00 0.00 C ATOM 1202 C GLN B 7 5.061 8.512 -7.472 1.00 0.00 C ATOM 1203 O GLN B 7 4.139 7.785 -7.171 1.00 0.00 O ATOM 1204 CB GLN B 7 4.700 10.712 -8.640 1.00 0.00 C ATOM 1205 CG GLN B 7 4.430 12.198 -8.405 1.00 0.00 C ATOM 1206 CD GLN B 7 3.142 12.363 -7.595 1.00 0.00 C ATOM 1207 OE1 GLN B 7 2.122 11.590 -7.848 1.00 0.00 O flip ATOM 1208 NE2 GLN B 7 3.064 13.205 -6.723 1.00 0.00 N flip ATOM 0 H GLN B 7 6.619 11.380 -7.354 1.00 0.00 H new ATOM 0 HA GLN B 7 4.168 10.225 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN B 7 5.556 10.587 -9.303 1.00 0.00 H new ATOM 0 HB3 GLN B 7 3.845 10.249 -9.133 1.00 0.00 H new ATOM 0 HG2 GLN B 7 5.267 12.650 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN B 7 4.341 12.717 -9.359 1.00 0.00 H new ATOM 0 HE21 GLN B 7 3.861 13.809 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN B 7 2.201 13.308 -6.189 1.00 0.00 H new ATOM 1217 N LEU B 8 6.182 8.030 -7.932 1.00 0.00 N ATOM 1218 CA LEU B 8 6.355 6.564 -8.110 1.00 0.00 C ATOM 1219 C LEU B 8 6.110 5.869 -6.779 1.00 0.00 C ATOM 1220 O LEU B 8 5.256 5.016 -6.659 1.00 0.00 O ATOM 1221 CB LEU B 8 7.810 6.396 -8.547 1.00 0.00 C ATOM 1222 CG LEU B 8 8.022 5.032 -9.199 1.00 0.00 C ATOM 1223 CD1 LEU B 8 9.520 4.740 -9.253 1.00 0.00 C ATOM 1224 CD2 LEU B 8 7.321 3.945 -8.383 1.00 0.00 C ATOM 0 H LEU B 8 6.991 8.594 -8.194 1.00 0.00 H new ATOM 0 HA LEU B 8 5.664 6.135 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU B 8 8.078 7.186 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU B 8 8.468 6.499 -7.684 1.00 0.00 H new ATOM 0 HG LEU B 8 7.605 5.041 -10.206 1.00 0.00 H new ATOM 0 HD11 LEU B 8 9.685 3.768 -9.717 1.00 0.00 H new ATOM 0 HD12 LEU B 8 10.020 5.511 -9.839 1.00 0.00 H new ATOM 0 HD13 LEU B 8 9.926 4.733 -8.241 1.00 0.00 H new ATOM 0 HD21 LEU B 8 7.478 2.976 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU B 8 7.731 3.926 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU B 8 6.253 4.157 -8.337 1.00 0.00 H new ATOM 1236 N ALA B 9 6.842 6.243 -5.769 1.00 0.00 N ATOM 1237 CA ALA B 9 6.620 5.603 -4.442 1.00 0.00 C ATOM 1238 C ALA B 9 5.197 5.911 -3.983 1.00 0.00 C ATOM 1239 O ALA B 9 4.567 5.129 -3.299 1.00 0.00 O ATOM 1240 CB ALA B 9 7.645 6.220 -3.496 1.00 0.00 C ATOM 0 H ALA B 9 7.574 6.953 -5.801 1.00 0.00 H new ATOM 0 HA ALA B 9 6.736 4.520 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA B 9 7.530 5.787 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA B 9 8.650 6.017 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA B 9 7.489 7.297 -3.443 1.00 0.00 H new ATOM 1246 N ASP B 10 4.681 7.043 -4.378 1.00 0.00 N ATOM 1247 CA ASP B 10 3.288 7.403 -3.993 1.00 0.00 C ATOM 1248 C ASP B 10 2.310 6.481 -4.721 1.00 0.00 C ATOM 1249 O ASP B 10 1.357 5.990 -4.148 1.00 0.00 O ATOM 1250 CB ASP B 10 3.105 8.846 -4.463 1.00 0.00 C ATOM 1251 CG ASP B 10 3.175 9.790 -3.260 1.00 0.00 C ATOM 1252 OD1 ASP B 10 3.969 9.529 -2.372 1.00 0.00 O ATOM 1253 OD2 ASP B 10 2.433 10.758 -3.249 1.00 0.00 O ATOM 0 H ASP B 10 5.165 7.734 -4.951 1.00 0.00 H new ATOM 0 HA ASP B 10 3.108 7.301 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP B 10 3.878 9.104 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.146 8.956 -4.969 1.00 0.00 H new ATOM 1258 N ILE B 11 2.547 6.235 -5.981 1.00 0.00 N ATOM 1259 CA ILE B 11 1.644 5.337 -6.755 1.00 0.00 C ATOM 1260 C ILE B 11 1.387 4.056 -5.969 1.00 0.00 C ATOM 1261 O ILE B 11 0.265 3.691 -5.687 1.00 0.00 O ATOM 1262 CB ILE B 11 2.420 5.001 -8.024 1.00 0.00 C ATOM 1263 CG1 ILE B 11 2.752 6.304 -8.770 1.00 0.00 C ATOM 1264 CG2 ILE B 11 1.588 4.052 -8.896 1.00 0.00 C ATOM 1265 CD1 ILE B 11 1.982 6.398 -10.091 1.00 0.00 C ATOM 0 H ILE B 11 3.330 6.619 -6.509 1.00 0.00 H new ATOM 0 HA ILE B 11 0.681 5.803 -6.961 1.00 0.00 H new ATOM 0 HB ILE B 11 3.355 4.498 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE B 11 2.506 7.159 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE B 11 3.823 6.351 -8.966 1.00 0.00 H new ATOM 0 HG21 ILE B 11 2.142 3.812 -9.803 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.382 3.136 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.647 4.534 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE B 11 2.237 7.330 -10.596 1.00 0.00 H new ATOM 0 HD12 ILE B 11 2.249 5.555 -10.728 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.911 6.376 -9.890 1.00 0.00 H new ATOM 1277 N PHE B 12 2.439 3.378 -5.619 1.00 0.00 N ATOM 1278 CA PHE B 12 2.307 2.116 -4.851 1.00 0.00 C ATOM 1279 C PHE B 12 2.095 2.431 -3.376 1.00 0.00 C ATOM 1280 O PHE B 12 2.053 1.547 -2.545 1.00 0.00 O ATOM 1281 CB PHE B 12 3.652 1.407 -5.041 1.00 0.00 C ATOM 1282 CG PHE B 12 3.886 1.099 -6.502 1.00 0.00 C ATOM 1283 CD1 PHE B 12 4.360 2.091 -7.377 1.00 0.00 C ATOM 1284 CD2 PHE B 12 3.635 -0.189 -6.981 1.00 0.00 C ATOM 1285 CE1 PHE B 12 4.575 1.787 -8.726 1.00 0.00 C ATOM 1286 CE2 PHE B 12 3.851 -0.491 -8.330 1.00 0.00 C ATOM 1287 CZ PHE B 12 4.319 0.497 -9.204 1.00 0.00 C ATOM 0 H PHE B 12 3.398 3.649 -5.836 1.00 0.00 H new ATOM 0 HA PHE B 12 1.464 1.510 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE B 12 4.458 2.036 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE B 12 3.668 0.484 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE B 12 4.558 3.087 -7.009 1.00 0.00 H new ATOM 0 HD2 PHE B 12 3.274 -0.953 -6.309 1.00 0.00 H new ATOM 0 HE1 PHE B 12 4.939 2.549 -9.399 1.00 0.00 H new ATOM 0 HE2 PHE B 12 3.656 -1.488 -8.697 1.00 0.00 H new ATOM 0 HZ PHE B 12 4.482 0.264 -10.246 1.00 0.00 H new ATOM 1297 N GLY B 13 2.014 3.685 -3.030 1.00 0.00 N ATOM 1298 CA GLY B 13 1.868 4.023 -1.594 1.00 0.00 C ATOM 1299 C GLY B 13 3.097 3.458 -0.890 1.00 0.00 C ATOM 1300 O GLY B 13 3.121 3.269 0.310 1.00 0.00 O ATOM 0 H GLY B 13 2.042 4.478 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.802 5.102 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.954 3.592 -1.185 1.00 0.00 H new ATOM 1304 N ALA B 14 4.123 3.180 -1.657 1.00 0.00 N ATOM 1305 CA ALA B 14 5.369 2.616 -1.085 1.00 0.00 C ATOM 1306 C ALA B 14 6.223 3.732 -0.505 1.00 0.00 C ATOM 1307 O ALA B 14 5.834 4.883 -0.474 1.00 0.00 O ATOM 1308 CB ALA B 14 6.103 1.987 -2.280 1.00 0.00 C ATOM 0 H ALA B 14 4.143 3.324 -2.667 1.00 0.00 H new ATOM 0 HA ALA B 14 5.167 1.899 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA B 14 7.040 1.545 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.477 1.213 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA B 14 6.313 2.756 -3.024 1.00 0.00 H new ATOM 1314 N SER B 15 7.407 3.406 -0.095 1.00 0.00 N ATOM 1315 CA SER B 15 8.318 4.445 0.426 1.00 0.00 C ATOM 1316 C SER B 15 9.412 4.632 -0.604 1.00 0.00 C ATOM 1317 O SER B 15 9.943 3.681 -1.140 1.00 0.00 O ATOM 1318 CB SER B 15 8.877 3.905 1.733 1.00 0.00 C ATOM 1319 OG SER B 15 7.844 3.873 2.709 1.00 0.00 O ATOM 0 H SER B 15 7.785 2.459 -0.099 1.00 0.00 H new ATOM 0 HA SER B 15 7.832 5.405 0.604 1.00 0.00 H new ATOM 0 HB2 SER B 15 9.282 2.904 1.583 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.699 4.533 2.077 1.00 0.00 H new ATOM 0 HG SER B 15 8.204 4.155 3.576 1.00 0.00 H new ATOM 1325 N ILE B 16 9.729 5.838 -0.917 1.00 0.00 N ATOM 1326 CA ILE B 16 10.765 6.064 -1.952 1.00 0.00 C ATOM 1327 C ILE B 16 12.007 5.229 -1.650 1.00 0.00 C ATOM 1328 O ILE B 16 12.729 4.836 -2.545 1.00 0.00 O ATOM 1329 CB ILE B 16 11.073 7.553 -1.904 1.00 0.00 C ATOM 1330 CG1 ILE B 16 9.747 8.338 -1.847 1.00 0.00 C ATOM 1331 CG2 ILE B 16 11.861 7.907 -3.160 1.00 0.00 C ATOM 1332 CD1 ILE B 16 9.868 9.672 -2.584 1.00 0.00 C ATOM 0 H ILE B 16 9.323 6.679 -0.508 1.00 0.00 H new ATOM 0 HA ILE B 16 10.426 5.765 -2.944 1.00 0.00 H new ATOM 0 HB ILE B 16 11.661 7.809 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE B 16 8.949 7.744 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE B 16 9.470 8.516 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE B 16 12.097 8.971 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE B 16 12.786 7.330 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE B 16 11.265 7.673 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE B 16 8.919 10.206 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE B 16 10.650 10.274 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE B 16 10.121 9.489 -3.628 1.00 0.00 H new ATOM 1344 N ARG B 17 12.251 4.922 -0.407 1.00 0.00 N ATOM 1345 CA ARG B 17 13.428 4.081 -0.089 1.00 0.00 C ATOM 1346 C ARG B 17 13.226 2.732 -0.776 1.00 0.00 C ATOM 1347 O ARG B 17 14.162 2.038 -1.119 1.00 0.00 O ATOM 1348 CB ARG B 17 13.436 3.997 1.442 1.00 0.00 C ATOM 1349 CG ARG B 17 13.023 2.609 1.925 1.00 0.00 C ATOM 1350 CD ARG B 17 11.546 2.402 1.624 1.00 0.00 C ATOM 1351 NE ARG B 17 10.959 1.879 2.893 1.00 0.00 N ATOM 1352 CZ ARG B 17 10.556 2.696 3.828 1.00 0.00 C ATOM 1353 NH1 ARG B 17 10.877 3.957 3.783 1.00 0.00 N ATOM 1354 NH2 ARG B 17 9.832 2.245 4.816 1.00 0.00 N ATOM 0 H ARG B 17 11.690 5.216 0.393 1.00 0.00 H new ATOM 0 HA ARG B 17 14.387 4.466 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG B 17 14.432 4.233 1.816 1.00 0.00 H new ATOM 0 HB3 ARG B 17 12.757 4.744 1.853 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.620 1.844 1.428 1.00 0.00 H new ATOM 0 HG3 ARG B 17 13.207 2.512 2.995 1.00 0.00 H new ATOM 0 HD2 ARG B 17 11.070 3.336 1.325 1.00 0.00 H new ATOM 0 HD3 ARG B 17 11.406 1.697 0.805 1.00 0.00 H new ATOM 0 HE ARG B 17 10.872 0.872 3.031 1.00 0.00 H new ATOM 0 HH11 ARG B 17 11.446 4.311 3.014 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.559 4.591 4.516 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.583 1.257 4.856 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.516 2.881 5.548 1.00 0.00 H new ATOM 1368 N THR B 18 11.989 2.392 -1.016 1.00 0.00 N ATOM 1369 CA THR B 18 11.680 1.124 -1.731 1.00 0.00 C ATOM 1370 C THR B 18 11.925 1.379 -3.208 1.00 0.00 C ATOM 1371 O THR B 18 12.475 0.562 -3.917 1.00 0.00 O ATOM 1372 CB THR B 18 10.198 0.840 -1.478 1.00 0.00 C ATOM 1373 OG1 THR B 18 9.987 0.564 -0.101 1.00 0.00 O ATOM 1374 CG2 THR B 18 9.761 -0.367 -2.312 1.00 0.00 C ATOM 0 H THR B 18 11.175 2.943 -0.745 1.00 0.00 H new ATOM 0 HA THR B 18 12.286 0.280 -1.401 1.00 0.00 H new ATOM 0 HB THR B 18 9.612 1.714 -1.762 1.00 0.00 H new ATOM 0 HG1 THR B 18 10.722 0.011 0.238 1.00 0.00 H new ATOM 0 HG21 THR B 18 8.705 -0.570 -2.132 1.00 0.00 H new ATOM 0 HG22 THR B 18 9.915 -0.153 -3.370 1.00 0.00 H new ATOM 0 HG23 THR B 18 10.352 -1.238 -2.028 1.00 0.00 H new ATOM 1382 N ILE B 19 11.543 2.539 -3.667 1.00 0.00 N ATOM 1383 CA ILE B 19 11.783 2.880 -5.085 1.00 0.00 C ATOM 1384 C ILE B 19 13.283 2.801 -5.346 1.00 0.00 C ATOM 1385 O ILE B 19 13.723 2.409 -6.408 1.00 0.00 O ATOM 1386 CB ILE B 19 11.290 4.313 -5.245 1.00 0.00 C ATOM 1387 CG1 ILE B 19 9.824 4.405 -4.821 1.00 0.00 C ATOM 1388 CG2 ILE B 19 11.424 4.727 -6.706 1.00 0.00 C ATOM 1389 CD1 ILE B 19 9.011 3.352 -5.571 1.00 0.00 C ATOM 0 H ILE B 19 11.076 3.260 -3.117 1.00 0.00 H new ATOM 0 HA ILE B 19 11.276 2.211 -5.780 1.00 0.00 H new ATOM 0 HB ILE B 19 11.886 4.976 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE B 19 9.735 4.251 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE B 19 9.434 5.400 -5.034 1.00 0.00 H new ATOM 0 HG21 ILE B 19 11.073 5.752 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE B 19 12.469 4.664 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.826 4.062 -7.329 1.00 0.00 H new ATOM 0 HD11 ILE B 19 7.966 3.417 -5.269 1.00 0.00 H new ATOM 0 HD12 ILE B 19 9.091 3.527 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.396 2.360 -5.336 1.00 0.00 H new ATOM 1401 N GLN B 20 14.070 3.144 -4.358 1.00 0.00 N ATOM 1402 CA GLN B 20 15.542 3.065 -4.514 1.00 0.00 C ATOM 1403 C GLN B 20 15.920 1.597 -4.609 1.00 0.00 C ATOM 1404 O GLN B 20 16.926 1.232 -5.183 1.00 0.00 O ATOM 1405 CB GLN B 20 16.123 3.692 -3.246 1.00 0.00 C ATOM 1406 CG GLN B 20 15.704 5.161 -3.160 1.00 0.00 C ATOM 1407 CD GLN B 20 16.949 6.051 -3.224 1.00 0.00 C ATOM 1408 OE1 GLN B 20 17.966 5.654 -3.755 1.00 0.00 O ATOM 1409 NE2 GLN B 20 16.909 7.249 -2.704 1.00 0.00 N ATOM 0 H GLN B 20 13.749 3.476 -3.449 1.00 0.00 H new ATOM 0 HA GLN B 20 15.913 3.577 -5.402 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.772 3.151 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN B 20 17.210 3.614 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN B 20 15.026 5.406 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.162 5.342 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.055 7.583 -2.258 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.732 7.850 -2.744 1.00 0.00 H new ATOM 1418 N ASN B 21 15.091 0.747 -4.065 1.00 0.00 N ATOM 1419 CA ASN B 21 15.375 -0.703 -4.141 1.00 0.00 C ATOM 1420 C ASN B 21 14.916 -1.212 -5.500 1.00 0.00 C ATOM 1421 O ASN B 21 15.474 -2.135 -6.055 1.00 0.00 O ATOM 1422 CB ASN B 21 14.571 -1.345 -3.012 1.00 0.00 C ATOM 1423 CG ASN B 21 15.269 -1.084 -1.675 1.00 0.00 C ATOM 1424 OD1 ASN B 21 16.085 -0.191 -1.567 1.00 0.00 O ATOM 1425 ND2 ASN B 21 14.983 -1.834 -0.646 1.00 0.00 N ATOM 0 H ASN B 21 14.233 0.999 -3.574 1.00 0.00 H new ATOM 0 HA ASN B 21 16.434 -0.937 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN B 21 13.561 -0.936 -2.993 1.00 0.00 H new ATOM 0 HB3 ASN B 21 14.478 -2.418 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN B 21 15.445 -1.670 0.249 1.00 0.00 H new ATOM 0 HD22 ASN B 21 14.298 -2.584 -0.736 1.00 0.00 H new ATOM 1432 N TRP B 22 13.911 -0.589 -6.052 1.00 0.00 N ATOM 1433 CA TRP B 22 13.429 -1.009 -7.391 1.00 0.00 C ATOM 1434 C TRP B 22 14.457 -0.590 -8.435 1.00 0.00 C ATOM 1435 O TRP B 22 14.952 -1.397 -9.197 1.00 0.00 O ATOM 1436 CB TRP B 22 12.122 -0.246 -7.614 1.00 0.00 C ATOM 1437 CG TRP B 22 11.070 -0.734 -6.670 1.00 0.00 C ATOM 1438 CD1 TRP B 22 11.273 -1.599 -5.651 1.00 0.00 C ATOM 1439 CD2 TRP B 22 9.655 -0.399 -6.648 1.00 0.00 C ATOM 1440 NE1 TRP B 22 10.069 -1.813 -5.001 1.00 0.00 N ATOM 1441 CE2 TRP B 22 9.042 -1.095 -5.580 1.00 0.00 C ATOM 1442 CE3 TRP B 22 8.854 0.434 -7.444 1.00 0.00 C ATOM 1443 CZ2 TRP B 22 7.677 -0.966 -5.313 1.00 0.00 C ATOM 1444 CZ3 TRP B 22 7.481 0.566 -7.179 1.00 0.00 C ATOM 1445 CH2 TRP B 22 6.895 -0.134 -6.115 1.00 0.00 C ATOM 0 H TRP B 22 13.406 0.191 -5.632 1.00 0.00 H new ATOM 0 HA TRP B 22 13.281 -2.086 -7.464 1.00 0.00 H new ATOM 0 HB2 TRP B 22 12.286 0.821 -7.466 1.00 0.00 H new ATOM 0 HB3 TRP B 22 11.787 -0.378 -8.643 1.00 0.00 H new ATOM 0 HD1 TRP B 22 12.219 -2.049 -5.387 1.00 0.00 H new ATOM 0 HE1 TRP B 22 9.955 -2.426 -4.194 1.00 0.00 H new ATOM 0 HE3 TRP B 22 9.296 0.977 -8.266 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 7.230 -1.506 -4.492 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 6.874 1.210 -7.798 1.00 0.00 H new ATOM 0 HH2 TRP B 22 5.839 -0.029 -5.916 1.00 0.00 H new ATOM 1456 N GLN B 23 14.786 0.675 -8.471 1.00 0.00 N ATOM 1457 CA GLN B 23 15.784 1.146 -9.464 1.00 0.00 C ATOM 1458 C GLN B 23 17.037 0.284 -9.379 1.00 0.00 C ATOM 1459 O GLN B 23 17.824 0.220 -10.303 1.00 0.00 O ATOM 1460 CB GLN B 23 16.091 2.605 -9.106 1.00 0.00 C ATOM 1461 CG GLN B 23 16.337 2.739 -7.604 1.00 0.00 C ATOM 1462 CD GLN B 23 17.587 3.590 -7.368 1.00 0.00 C ATOM 1463 OE1 GLN B 23 18.341 3.343 -6.448 1.00 0.00 O ATOM 1464 NE2 GLN B 23 17.840 4.590 -8.168 1.00 0.00 N ATOM 0 H GLN B 23 14.406 1.396 -7.857 1.00 0.00 H new ATOM 0 HA GLN B 23 15.410 1.073 -10.485 1.00 0.00 H new ATOM 0 HB2 GLN B 23 16.967 2.946 -9.657 1.00 0.00 H new ATOM 0 HB3 GLN B 23 15.259 3.243 -9.404 1.00 0.00 H new ATOM 0 HG2 GLN B 23 15.474 3.199 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN B 23 16.464 1.754 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN B 23 17.207 4.798 -8.941 1.00 0.00 H new ATOM 0 HE22 GLN B 23 18.670 5.164 -8.021 1.00 0.00 H new ATOM 1473 N GLU B 24 17.227 -0.389 -8.281 1.00 0.00 N ATOM 1474 CA GLU B 24 18.429 -1.252 -8.159 1.00 0.00 C ATOM 1475 C GLU B 24 18.035 -2.725 -8.279 1.00 0.00 C ATOM 1476 O GLU B 24 18.813 -3.610 -7.980 1.00 0.00 O ATOM 1477 CB GLU B 24 19.002 -0.950 -6.774 1.00 0.00 C ATOM 1478 CG GLU B 24 19.601 0.457 -6.770 1.00 0.00 C ATOM 1479 CD GLU B 24 20.147 0.778 -5.377 1.00 0.00 C ATOM 1480 OE1 GLU B 24 20.928 -0.012 -4.873 1.00 0.00 O ATOM 1481 OE2 GLU B 24 19.776 1.807 -4.838 1.00 0.00 O ATOM 0 H GLU B 24 16.608 -0.379 -7.470 1.00 0.00 H new ATOM 0 HA GLU B 24 19.159 -1.058 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU B 24 18.219 -1.026 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU B 24 19.766 -1.684 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU B 24 20.399 0.526 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU B 24 18.842 1.187 -7.051 1.00 0.00 H new ATOM 1488 N GLN B 25 16.837 -3.001 -8.725 1.00 0.00 N ATOM 1489 CA GLN B 25 16.420 -4.423 -8.867 1.00 0.00 C ATOM 1490 C GLN B 25 15.866 -4.694 -10.278 1.00 0.00 C ATOM 1491 O GLN B 25 15.183 -5.672 -10.508 1.00 0.00 O ATOM 1492 CB GLN B 25 15.377 -4.663 -7.770 1.00 0.00 C ATOM 1493 CG GLN B 25 13.985 -4.341 -8.285 1.00 0.00 C ATOM 1494 CD GLN B 25 12.960 -4.575 -7.173 1.00 0.00 C ATOM 1495 OE1 GLN B 25 13.130 -4.102 -6.067 1.00 0.00 O ATOM 1496 NE2 GLN B 25 11.896 -5.289 -7.421 1.00 0.00 N ATOM 0 H GLN B 25 16.137 -2.309 -8.994 1.00 0.00 H new ATOM 0 HA GLN B 25 17.258 -5.110 -8.751 1.00 0.00 H new ATOM 0 HB2 GLN B 25 15.419 -5.701 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN B 25 15.603 -4.043 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN B 25 13.941 -3.305 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN B 25 13.751 -4.966 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN B 25 11.753 -5.686 -8.350 1.00 0.00 H new ATOM 0 HE22 GLN B 25 11.207 -5.450 -6.686 1.00 0.00 H new ATOM 1505 N GLY B 26 16.184 -3.850 -11.228 1.00 0.00 N ATOM 1506 CA GLY B 26 15.709 -4.076 -12.628 1.00 0.00 C ATOM 1507 C GLY B 26 14.429 -3.280 -12.909 1.00 0.00 C ATOM 1508 O GLY B 26 13.621 -3.666 -13.729 1.00 0.00 O ATOM 0 H GLY B 26 16.752 -3.014 -11.094 1.00 0.00 H new ATOM 0 HA2 GLY B 26 16.487 -3.781 -13.332 1.00 0.00 H new ATOM 0 HA3 GLY B 26 15.523 -5.138 -12.786 1.00 0.00 H new ATOM 1512 N MET B 27 14.228 -2.183 -12.236 1.00 0.00 N ATOM 1513 CA MET B 27 12.984 -1.383 -12.472 1.00 0.00 C ATOM 1514 C MET B 27 12.950 -0.801 -13.892 1.00 0.00 C ATOM 1515 O MET B 27 13.972 -0.441 -14.444 1.00 0.00 O ATOM 1516 CB MET B 27 13.015 -0.268 -11.416 1.00 0.00 C ATOM 1517 CG MET B 27 13.628 1.018 -11.990 1.00 0.00 C ATOM 1518 SD MET B 27 13.402 2.363 -10.804 1.00 0.00 S ATOM 1519 CE MET B 27 11.607 2.304 -10.745 1.00 0.00 C ATOM 0 H MET B 27 14.864 -1.803 -11.535 1.00 0.00 H new ATOM 0 HA MET B 27 12.089 -1.999 -12.386 1.00 0.00 H new ATOM 0 HB2 MET B 27 12.003 -0.067 -11.065 1.00 0.00 H new ATOM 0 HB3 MET B 27 13.593 -0.596 -10.552 1.00 0.00 H new ATOM 0 HG2 MET B 27 14.689 0.871 -12.193 1.00 0.00 H new ATOM 0 HG3 MET B 27 13.154 1.270 -12.939 1.00 0.00 H new ATOM 0 HE1 MET B 27 11.226 3.237 -10.330 1.00 0.00 H new ATOM 0 HE2 MET B 27 11.214 2.168 -11.753 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.291 1.472 -10.116 1.00 0.00 H new ATOM 1529 N PRO B 28 11.758 -0.715 -14.427 1.00 0.00 N ATOM 1530 CA PRO B 28 11.560 -0.158 -15.776 1.00 0.00 C ATOM 1531 C PRO B 28 11.308 1.351 -15.706 1.00 0.00 C ATOM 1532 O PRO B 28 10.225 1.832 -15.995 1.00 0.00 O ATOM 1533 CB PRO B 28 10.312 -0.878 -16.264 1.00 0.00 C ATOM 1534 CG PRO B 28 9.559 -1.268 -15.024 1.00 0.00 C ATOM 1535 CD PRO B 28 10.490 -1.138 -13.839 1.00 0.00 C ATOM 0 HA PRO B 28 12.424 -0.294 -16.427 1.00 0.00 H new ATOM 0 HB2 PRO B 28 9.710 -0.230 -16.901 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.572 -1.755 -16.857 1.00 0.00 H new ATOM 0 HG2 PRO B 28 8.687 -0.628 -14.893 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.193 -2.291 -15.109 1.00 0.00 H new ATOM 0 HD2 PRO B 28 10.120 -0.407 -13.120 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.593 -2.084 -13.307 1.00 0.00 H new ATOM 1543 N VAL B 29 12.296 2.105 -15.326 1.00 0.00 N ATOM 1544 CA VAL B 29 12.094 3.586 -15.254 1.00 0.00 C ATOM 1545 C VAL B 29 11.610 4.096 -16.606 1.00 0.00 C ATOM 1546 O VAL B 29 11.424 3.348 -17.545 1.00 0.00 O ATOM 1547 CB VAL B 29 13.445 4.258 -14.952 1.00 0.00 C ATOM 1548 CG1 VAL B 29 13.526 4.677 -13.508 1.00 0.00 C ATOM 1549 CG2 VAL B 29 14.574 3.314 -15.173 1.00 0.00 C ATOM 0 H VAL B 29 13.224 1.773 -15.064 1.00 0.00 H new ATOM 0 HA VAL B 29 11.364 3.815 -14.478 1.00 0.00 H new ATOM 0 HB VAL B 29 13.516 5.118 -15.618 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.490 5.149 -13.320 1.00 0.00 H new ATOM 0 HG12 VAL B 29 12.726 5.385 -13.289 1.00 0.00 H new ATOM 0 HG13 VAL B 29 13.420 3.801 -12.868 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.516 3.816 -14.952 1.00 0.00 H new ATOM 0 HG22 VAL B 29 14.460 2.451 -14.517 1.00 0.00 H new ATOM 0 HG23 VAL B 29 14.574 2.983 -16.212 1.00 0.00 H new ATOM 1559 N LEU B 30 11.451 5.376 -16.709 1.00 0.00 N ATOM 1560 CA LEU B 30 11.022 5.994 -17.991 1.00 0.00 C ATOM 1561 C LEU B 30 12.244 6.273 -18.843 1.00 0.00 C ATOM 1562 O LEU B 30 12.229 6.163 -20.053 1.00 0.00 O ATOM 1563 CB LEU B 30 10.391 7.325 -17.596 1.00 0.00 C ATOM 1564 CG LEU B 30 9.019 7.422 -18.216 1.00 0.00 C ATOM 1565 CD1 LEU B 30 9.143 7.289 -19.732 1.00 0.00 C ATOM 1566 CD2 LEU B 30 8.186 6.289 -17.655 1.00 0.00 C ATOM 0 H LEU B 30 11.602 6.037 -15.947 1.00 0.00 H new ATOM 0 HA LEU B 30 10.341 5.353 -18.550 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.320 7.401 -16.511 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.016 8.152 -17.933 1.00 0.00 H new ATOM 0 HG LEU B 30 8.550 8.380 -17.991 1.00 0.00 H new ATOM 0 HD11 LEU B 30 8.154 7.358 -20.185 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.776 8.089 -20.117 1.00 0.00 H new ATOM 0 HD13 LEU B 30 9.588 6.325 -19.977 1.00 0.00 H new ATOM 0 HD21 LEU B 30 7.184 6.328 -18.082 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.651 5.336 -17.907 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.122 6.386 -16.571 1.00 0.00 H new ATOM 1697 N LEU B 40 12.766 8.906 -14.873 1.00 0.00 N ATOM 1698 CA LEU B 40 11.342 8.823 -14.467 1.00 0.00 C ATOM 1699 C LEU B 40 10.909 7.375 -14.351 1.00 0.00 C ATOM 1700 O LEU B 40 11.688 6.472 -14.557 1.00 0.00 O ATOM 1701 CB LEU B 40 10.591 9.512 -15.585 1.00 0.00 C ATOM 1702 CG LEU B 40 10.482 10.982 -15.235 1.00 0.00 C ATOM 1703 CD1 LEU B 40 11.145 11.812 -16.338 1.00 0.00 C ATOM 1704 CD2 LEU B 40 9.002 11.333 -15.089 1.00 0.00 C ATOM 0 HA LEU B 40 11.157 9.283 -13.496 1.00 0.00 H new ATOM 0 HB2 LEU B 40 11.114 9.383 -16.532 1.00 0.00 H new ATOM 0 HB3 LEU B 40 9.600 9.074 -15.706 1.00 0.00 H new ATOM 0 HG LEU B 40 10.991 11.200 -14.296 1.00 0.00 H new ATOM 0 HD11 LEU B 40 11.070 12.871 -16.092 1.00 0.00 H new ATOM 0 HD12 LEU B 40 12.195 11.533 -16.422 1.00 0.00 H new ATOM 0 HD13 LEU B 40 10.643 11.624 -17.287 1.00 0.00 H new ATOM 0 HD21 LEU B 40 8.902 12.389 -14.837 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.486 11.134 -16.028 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.561 10.727 -14.298 1.00 0.00 H new ATOM 1716 N TYR B 41 9.674 7.132 -14.048 1.00 0.00 N ATOM 1717 CA TYR B 41 9.222 5.721 -13.943 1.00 0.00 C ATOM 1718 C TYR B 41 7.895 5.528 -14.671 1.00 0.00 C ATOM 1719 O TYR B 41 6.923 6.200 -14.388 1.00 0.00 O ATOM 1720 CB TYR B 41 9.060 5.469 -12.442 1.00 0.00 C ATOM 1721 CG TYR B 41 10.327 5.882 -11.729 1.00 0.00 C ATOM 1722 CD1 TYR B 41 11.437 5.035 -11.745 1.00 0.00 C ATOM 1723 CD2 TYR B 41 10.399 7.115 -11.060 1.00 0.00 C ATOM 1724 CE1 TYR B 41 12.615 5.416 -11.096 1.00 0.00 C ATOM 1725 CE2 TYR B 41 11.585 7.488 -10.416 1.00 0.00 C ATOM 1726 CZ TYR B 41 12.692 6.637 -10.436 1.00 0.00 C ATOM 1727 OH TYR B 41 13.863 7.001 -9.804 1.00 0.00 O ATOM 0 H TYR B 41 8.961 7.839 -13.869 1.00 0.00 H new ATOM 0 HA TYR B 41 9.929 5.027 -14.399 1.00 0.00 H new ATOM 0 HB2 TYR B 41 8.211 6.033 -12.056 1.00 0.00 H new ATOM 0 HB3 TYR B 41 8.852 4.415 -12.258 1.00 0.00 H new ATOM 0 HD1 TYR B 41 11.385 4.086 -12.258 1.00 0.00 H new ATOM 0 HD2 TYR B 41 9.543 7.773 -11.042 1.00 0.00 H new ATOM 0 HE1 TYR B 41 13.471 4.757 -11.107 1.00 0.00 H new ATOM 0 HE2 TYR B 41 11.644 8.436 -9.902 1.00 0.00 H new ATOM 0 HH TYR B 41 14.333 7.669 -10.346 1.00 0.00 H new ATOM 1737 N ASP B 42 7.835 4.610 -15.602 1.00 0.00 N ATOM 1738 CA ASP B 42 6.540 4.402 -16.309 1.00 0.00 C ATOM 1739 C ASP B 42 5.577 3.768 -15.326 1.00 0.00 C ATOM 1740 O ASP B 42 5.540 2.562 -15.174 1.00 0.00 O ATOM 1741 CB ASP B 42 6.783 3.443 -17.479 1.00 0.00 C ATOM 1742 CG ASP B 42 8.211 3.551 -18.017 1.00 0.00 C ATOM 1743 OD1 ASP B 42 9.132 3.419 -17.234 1.00 0.00 O ATOM 1744 OD2 ASP B 42 8.356 3.768 -19.209 1.00 0.00 O ATOM 0 H ASP B 42 8.606 4.011 -15.896 1.00 0.00 H new ATOM 0 HA ASP B 42 6.133 5.342 -16.683 1.00 0.00 H new ATOM 0 HB2 ASP B 42 6.593 2.420 -17.155 1.00 0.00 H new ATOM 0 HB3 ASP B 42 6.076 3.660 -18.280 1.00 0.00 H new ATOM 1749 N SER B 43 4.826 4.573 -14.638 1.00 0.00 N ATOM 1750 CA SER B 43 3.877 4.035 -13.633 1.00 0.00 C ATOM 1751 C SER B 43 3.281 2.710 -14.091 1.00 0.00 C ATOM 1752 O SER B 43 2.973 1.867 -13.285 1.00 0.00 O ATOM 1753 CB SER B 43 2.787 5.088 -13.510 1.00 0.00 C ATOM 1754 OG SER B 43 1.877 4.690 -12.495 1.00 0.00 O ATOM 0 H SER B 43 4.829 5.589 -14.729 1.00 0.00 H new ATOM 0 HA SER B 43 4.373 3.839 -12.682 1.00 0.00 H new ATOM 0 HB2 SER B 43 3.224 6.056 -13.266 1.00 0.00 H new ATOM 0 HB3 SER B 43 2.265 5.204 -14.460 1.00 0.00 H new ATOM 0 HG SER B 43 2.291 3.998 -11.938 1.00 0.00 H new ATOM 1760 N ALA B 44 3.120 2.504 -15.369 1.00 0.00 N ATOM 1761 CA ALA B 44 2.537 1.203 -15.815 1.00 0.00 C ATOM 1762 C ALA B 44 3.647 0.175 -16.007 1.00 0.00 C ATOM 1763 O ALA B 44 3.493 -0.987 -15.698 1.00 0.00 O ATOM 1764 CB ALA B 44 1.821 1.470 -17.133 1.00 0.00 C ATOM 0 H ALA B 44 3.360 3.162 -16.111 1.00 0.00 H new ATOM 0 HA ALA B 44 1.844 0.805 -15.074 1.00 0.00 H new ATOM 0 HB1 ALA B 44 1.377 0.545 -17.500 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.038 2.212 -16.978 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.536 1.845 -17.866 1.00 0.00 H new ATOM 1770 N ALA B 45 4.779 0.588 -16.487 1.00 0.00 N ATOM 1771 CA ALA B 45 5.885 -0.388 -16.640 1.00 0.00 C ATOM 1772 C ALA B 45 6.416 -0.684 -15.246 1.00 0.00 C ATOM 1773 O ALA B 45 6.954 -1.737 -14.975 1.00 0.00 O ATOM 1774 CB ALA B 45 6.947 0.300 -17.497 1.00 0.00 C ATOM 0 H ALA B 45 4.986 1.544 -16.776 1.00 0.00 H new ATOM 0 HA ALA B 45 5.580 -1.323 -17.110 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.790 -0.375 -17.643 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.520 0.562 -18.465 1.00 0.00 H new ATOM 0 HB3 ALA B 45 7.290 1.205 -16.995 1.00 0.00 H new ATOM 1780 N VAL B 46 6.240 0.256 -14.354 1.00 0.00 N ATOM 1781 CA VAL B 46 6.703 0.065 -12.956 1.00 0.00 C ATOM 1782 C VAL B 46 5.831 -0.977 -12.255 1.00 0.00 C ATOM 1783 O VAL B 46 6.230 -1.551 -11.267 1.00 0.00 O ATOM 1784 CB VAL B 46 6.535 1.429 -12.280 1.00 0.00 C ATOM 1785 CG1 VAL B 46 6.977 1.331 -10.819 1.00 0.00 C ATOM 1786 CG2 VAL B 46 7.395 2.470 -12.993 1.00 0.00 C ATOM 0 H VAL B 46 5.791 1.153 -14.540 1.00 0.00 H new ATOM 0 HA VAL B 46 7.734 -0.286 -12.913 1.00 0.00 H new ATOM 0 HB VAL B 46 5.488 1.726 -12.331 1.00 0.00 H new ATOM 0 HG11 VAL B 46 6.858 2.301 -10.337 1.00 0.00 H new ATOM 0 HG12 VAL B 46 6.365 0.592 -10.303 1.00 0.00 H new ATOM 0 HG13 VAL B 46 8.024 1.030 -10.775 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.271 3.438 -12.508 1.00 0.00 H new ATOM 0 HG22 VAL B 46 8.442 2.171 -12.945 1.00 0.00 H new ATOM 0 HG23 VAL B 46 7.086 2.545 -14.036 1.00 0.00 H new ATOM 1796 N ILE B 47 4.641 -1.227 -12.751 1.00 0.00 N ATOM 1797 CA ILE B 47 3.769 -2.247 -12.071 1.00 0.00 C ATOM 1798 C ILE B 47 3.925 -3.622 -12.702 1.00 0.00 C ATOM 1799 O ILE B 47 4.281 -4.571 -12.033 1.00 0.00 O ATOM 1800 CB ILE B 47 2.311 -1.795 -12.154 1.00 0.00 C ATOM 1801 CG1 ILE B 47 2.146 -0.623 -13.106 1.00 0.00 C ATOM 1802 CG2 ILE B 47 1.912 -1.368 -10.761 1.00 0.00 C ATOM 1803 CD1 ILE B 47 0.758 -0.002 -12.953 1.00 0.00 C ATOM 0 H ILE B 47 4.240 -0.783 -13.577 1.00 0.00 H new ATOM 0 HA ILE B 47 4.076 -2.326 -11.028 1.00 0.00 H new ATOM 0 HB ILE B 47 1.689 -2.608 -12.529 1.00 0.00 H new ATOM 0 HG12 ILE B 47 2.911 0.127 -12.905 1.00 0.00 H new ATOM 0 HG13 ILE B 47 2.290 -0.958 -14.133 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.874 -1.035 -10.766 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.019 -2.210 -10.077 1.00 0.00 H new ATOM 0 HG23 ILE B 47 2.554 -0.551 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE B 47 0.656 0.836 -13.642 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.002 -0.750 -13.177 1.00 0.00 H new ATOM 0 HD13 ILE B 47 0.628 0.352 -11.930 1.00 0.00 H new ATOM 1815 N LYS B 48 3.675 -3.751 -13.973 1.00 0.00 N ATOM 1816 CA LYS B 48 3.832 -5.082 -14.613 1.00 0.00 C ATOM 1817 C LYS B 48 5.149 -5.690 -14.127 1.00 0.00 C ATOM 1818 O LYS B 48 5.267 -6.878 -13.880 1.00 0.00 O ATOM 1819 CB LYS B 48 3.871 -4.787 -16.116 1.00 0.00 C ATOM 1820 CG LYS B 48 4.532 -5.955 -16.854 1.00 0.00 C ATOM 1821 CD LYS B 48 4.136 -5.922 -18.333 1.00 0.00 C ATOM 1822 CE LYS B 48 2.611 -5.870 -18.458 1.00 0.00 C ATOM 1823 NZ LYS B 48 2.281 -6.843 -19.538 1.00 0.00 N ATOM 0 H LYS B 48 3.371 -2.999 -14.591 1.00 0.00 H new ATOM 0 HA LYS B 48 3.036 -5.787 -14.376 1.00 0.00 H new ATOM 0 HB2 LYS B 48 2.860 -4.632 -16.492 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.425 -3.867 -16.302 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.616 -5.893 -16.756 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.226 -6.901 -16.407 1.00 0.00 H new ATOM 0 HD2 LYS B 48 4.580 -5.053 -18.819 1.00 0.00 H new ATOM 0 HD3 LYS B 48 4.522 -6.805 -18.843 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.128 -6.143 -17.520 1.00 0.00 H new ATOM 0 HE3 LYS B 48 2.269 -4.867 -18.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 1.251 -6.865 -19.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 2.749 -6.554 -20.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 2.612 -7.790 -19.265 1.00 0.00 H new ATOM 1837 N TRP B 49 6.131 -4.851 -13.960 1.00 0.00 N ATOM 1838 CA TRP B 49 7.459 -5.311 -13.469 1.00 0.00 C ATOM 1839 C TRP B 49 7.463 -5.369 -11.934 1.00 0.00 C ATOM 1840 O TRP B 49 8.252 -6.064 -11.341 1.00 0.00 O ATOM 1841 CB TRP B 49 8.432 -4.248 -13.982 1.00 0.00 C ATOM 1842 CG TRP B 49 9.641 -4.193 -13.110 1.00 0.00 C ATOM 1843 CD1 TRP B 49 10.855 -4.676 -13.448 1.00 0.00 C ATOM 1844 CD2 TRP B 49 9.774 -3.640 -11.768 1.00 0.00 C ATOM 1845 NE1 TRP B 49 11.733 -4.438 -12.407 1.00 0.00 N ATOM 1846 CE2 TRP B 49 11.113 -3.809 -11.349 1.00 0.00 C ATOM 1847 CE3 TRP B 49 8.877 -3.009 -10.881 1.00 0.00 C ATOM 1848 CZ2 TRP B 49 11.549 -3.372 -10.106 1.00 0.00 C ATOM 1849 CZ3 TRP B 49 9.319 -2.571 -9.620 1.00 0.00 C ATOM 1850 CH2 TRP B 49 10.654 -2.752 -9.236 1.00 0.00 C ATOM 0 H TRP B 49 6.069 -3.850 -14.146 1.00 0.00 H new ATOM 0 HA TRP B 49 7.721 -6.311 -13.815 1.00 0.00 H new ATOM 0 HB2 TRP B 49 8.724 -4.476 -15.007 1.00 0.00 H new ATOM 0 HB3 TRP B 49 7.942 -3.274 -13.999 1.00 0.00 H new ATOM 0 HD1 TRP B 49 11.100 -5.167 -14.378 1.00 0.00 H new ATOM 0 HE1 TRP B 49 12.720 -4.696 -12.420 1.00 0.00 H new ATOM 0 HE3 TRP B 49 7.847 -2.862 -11.171 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 12.579 -3.512 -9.814 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 8.626 -2.093 -8.944 1.00 0.00 H new ATOM 0 HH2 TRP B 49 10.989 -2.412 -8.267 1.00 0.00 H new ATOM 1861 N TYR B 50 6.591 -4.643 -11.294 1.00 0.00 N ATOM 1862 CA TYR B 50 6.542 -4.655 -9.806 1.00 0.00 C ATOM 1863 C TYR B 50 5.726 -5.857 -9.348 1.00 0.00 C ATOM 1864 O TYR B 50 6.092 -6.573 -8.440 1.00 0.00 O ATOM 1865 CB TYR B 50 5.859 -3.323 -9.462 1.00 0.00 C ATOM 1866 CG TYR B 50 5.005 -3.399 -8.208 1.00 0.00 C ATOM 1867 CD1 TYR B 50 3.774 -4.072 -8.215 1.00 0.00 C ATOM 1868 CD2 TYR B 50 5.433 -2.748 -7.045 1.00 0.00 C ATOM 1869 CE1 TYR B 50 2.981 -4.095 -7.058 1.00 0.00 C ATOM 1870 CE2 TYR B 50 4.643 -2.776 -5.889 1.00 0.00 C ATOM 1871 CZ TYR B 50 3.418 -3.449 -5.898 1.00 0.00 C ATOM 1872 OH TYR B 50 2.637 -3.473 -4.761 1.00 0.00 O ATOM 0 H TYR B 50 5.904 -4.036 -11.742 1.00 0.00 H new ATOM 0 HA TYR B 50 7.513 -4.743 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR B 50 6.620 -2.554 -9.330 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.236 -3.014 -10.301 1.00 0.00 H new ATOM 0 HD1 TYR B 50 3.437 -4.572 -9.111 1.00 0.00 H new ATOM 0 HD2 TYR B 50 6.376 -2.222 -7.039 1.00 0.00 H new ATOM 0 HE1 TYR B 50 2.033 -4.612 -7.064 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.980 -2.278 -4.992 1.00 0.00 H new ATOM 0 HH TYR B 50 3.087 -2.978 -4.045 1.00 0.00 H new ATOM 1882 N ALA B 51 4.637 -6.106 -10.006 1.00 0.00 N ATOM 1883 CA ALA B 51 3.801 -7.266 -9.647 1.00 0.00 C ATOM 1884 C ALA B 51 4.602 -8.537 -9.875 1.00 0.00 C ATOM 1885 O ALA B 51 4.310 -9.580 -9.325 1.00 0.00 O ATOM 1886 CB ALA B 51 2.621 -7.186 -10.608 1.00 0.00 C ATOM 0 H ALA B 51 4.289 -5.547 -10.785 1.00 0.00 H new ATOM 0 HA ALA B 51 3.476 -7.269 -8.607 1.00 0.00 H new ATOM 0 HB1 ALA B 51 1.939 -8.014 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA B 51 2.096 -6.242 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA B 51 2.983 -7.244 -11.634 1.00 0.00 H new