USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 SER OG : rot 53:sc= 0.272 USER MOD Set 1.2: A 83 HIS : no HE2:sc= -1.47 K(o=-1.2,f=-4.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.874 (180deg=0.874) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -2.55! (180deg=-4.13!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -114:sc= -1.16 (180deg=-2.44!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 25 SER OG : rot 111:sc= 0.72 USER MOD Single : A 35 HIS : no HD1:sc= -2.22 X(o=-2.2,f=-2.4) USER MOD Single : A 37 SER OG : rot -13:sc= 0.27 USER MOD Single : A 41 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6.3!) USER MOD Single : A 43 GLN : amide:sc= 1 K(o=1,f=-0.011) USER MOD Single : A 45 THR OG1 : rot 74:sc= 0.0403 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0482 (180deg=-0.329) USER MOD Single : A 53 GLN : amide:sc= -0.566 K(o=-0.57,f=-5.6!) USER MOD Single : A 55 ASN : amide:sc= -0.21 K(o=-0.21,f=-4.8!) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= 0.329 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -29:sc= 0.189 USER MOD Single : A 94 THR OG1 : rot -70:sc= 0.942 USER MOD Single : A 108 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.87) USER MOD Single : A 112 HIS : no HD1:sc= 0.341 K(o=0.34,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.551 -5.240 13.935 1.00 0.00 N ATOM 2 CA MET A 1 10.183 -3.825 13.639 1.00 0.00 C ATOM 3 C MET A 1 9.799 -3.650 12.158 1.00 0.00 C ATOM 4 O MET A 1 10.120 -2.634 11.541 1.00 0.00 O ATOM 5 CB MET A 1 11.364 -2.903 13.977 1.00 0.00 C ATOM 6 CG MET A 1 11.915 -3.086 15.385 1.00 0.00 C ATOM 7 SD MET A 1 13.264 -1.946 15.745 1.00 0.00 S ATOM 8 CE MET A 1 13.838 -2.584 17.317 1.00 0.00 C ATOM 0 H1 MET A 1 10.805 -5.330 14.939 1.00 0.00 H new ATOM 0 H2 MET A 1 9.743 -5.860 13.726 1.00 0.00 H new ATOM 0 H3 MET A 1 11.362 -5.518 13.346 1.00 0.00 H new ATOM 0 HA MET A 1 9.320 -3.561 14.251 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.165 -3.079 13.259 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.049 -1.867 13.854 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.114 -2.937 16.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.266 -4.111 15.505 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.674 -1.981 17.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.027 -2.543 18.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.162 -3.617 17.194 1.00 0.00 H new ATOM 20 N THR A 2 9.088 -4.632 11.599 1.00 0.00 N ATOM 21 CA THR A 2 8.814 -4.669 10.151 1.00 0.00 C ATOM 22 C THR A 2 7.603 -3.803 9.755 1.00 0.00 C ATOM 23 O THR A 2 6.487 -4.019 10.231 1.00 0.00 O ATOM 24 CB THR A 2 8.571 -6.121 9.666 1.00 0.00 C ATOM 25 OG1 THR A 2 9.599 -6.989 10.172 1.00 0.00 O ATOM 26 CG2 THR A 2 8.561 -6.199 8.141 1.00 0.00 C ATOM 0 H THR A 2 8.690 -5.413 12.121 1.00 0.00 H new ATOM 0 HA THR A 2 9.701 -4.259 9.668 1.00 0.00 H new ATOM 0 HB THR A 2 7.598 -6.438 10.041 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.436 -7.904 9.862 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.388 -7.230 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.766 -5.564 7.749 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.521 -5.859 7.753 1.00 0.00 H new ATOM 34 N LEU A 3 7.835 -2.840 8.862 1.00 0.00 N ATOM 35 CA LEU A 3 6.779 -1.942 8.364 1.00 0.00 C ATOM 36 C LEU A 3 6.784 -1.929 6.819 1.00 0.00 C ATOM 37 O LEU A 3 7.840 -1.786 6.200 1.00 0.00 O ATOM 38 CB LEU A 3 7.010 -0.519 8.924 1.00 0.00 C ATOM 39 CG LEU A 3 5.758 0.372 9.096 1.00 0.00 C ATOM 40 CD1 LEU A 3 5.058 0.636 7.764 1.00 0.00 C ATOM 41 CD2 LEU A 3 4.792 -0.246 10.107 1.00 0.00 C ATOM 0 H LEU A 3 8.755 -2.657 8.462 1.00 0.00 H new ATOM 0 HA LEU A 3 5.805 -2.299 8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.498 -0.610 9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.707 -0.003 8.264 1.00 0.00 H new ATOM 0 HG LEU A 3 6.093 1.336 9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.184 1.266 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.745 1.142 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.745 -0.311 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.918 0.396 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.479 -1.230 9.757 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.289 -0.345 11.072 1.00 0.00 H new ATOM 53 N ILE A 4 5.609 -2.085 6.204 1.00 0.00 N ATOM 54 CA ILE A 4 5.493 -2.123 4.735 1.00 0.00 C ATOM 55 C ILE A 4 4.709 -0.918 4.179 1.00 0.00 C ATOM 56 O ILE A 4 3.765 -0.430 4.804 1.00 0.00 O ATOM 57 CB ILE A 4 4.825 -3.439 4.256 1.00 0.00 C ATOM 58 CG1 ILE A 4 3.492 -3.673 4.992 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.776 -4.616 4.457 1.00 0.00 C ATOM 60 CD1 ILE A 4 2.799 -4.969 4.618 1.00 0.00 C ATOM 0 H ILE A 4 4.722 -2.187 6.696 1.00 0.00 H new ATOM 0 HA ILE A 4 6.511 -2.075 4.348 1.00 0.00 H new ATOM 0 HB ILE A 4 4.607 -3.352 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.677 -3.669 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.821 -2.840 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.296 -5.534 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.688 -4.449 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.024 -4.707 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.869 -5.059 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.580 -4.970 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.449 -5.811 4.856 1.00 0.00 H new ATOM 72 N TYR A 5 5.107 -0.455 2.992 1.00 0.00 N ATOM 73 CA TYR A 5 4.502 0.729 2.360 1.00 0.00 C ATOM 74 C TYR A 5 3.959 0.410 0.953 1.00 0.00 C ATOM 75 O TYR A 5 4.518 -0.418 0.231 1.00 0.00 O ATOM 76 CB TYR A 5 5.541 1.855 2.251 1.00 0.00 C ATOM 77 CG TYR A 5 6.109 2.319 3.582 1.00 0.00 C ATOM 78 CD1 TYR A 5 7.147 1.625 4.197 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.618 3.459 4.216 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.678 2.050 5.401 1.00 0.00 C ATOM 81 CE2 TYR A 5 6.144 3.888 5.420 1.00 0.00 C ATOM 82 CZ TYR A 5 7.173 3.182 6.009 1.00 0.00 C ATOM 83 OH TYR A 5 7.700 3.613 7.208 1.00 0.00 O ATOM 0 H TYR A 5 5.852 -0.883 2.442 1.00 0.00 H new ATOM 0 HA TYR A 5 3.669 1.044 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.361 1.515 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.083 2.707 1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.545 0.739 3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.814 4.016 3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.484 1.499 5.863 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.751 4.773 5.898 1.00 0.00 H new ATOM 0 HH TYR A 5 8.646 3.361 7.259 1.00 0.00 H new ATOM 93 N LYS A 6 2.864 1.069 0.566 1.00 0.00 N ATOM 94 CA LYS A 6 2.320 0.937 -0.798 1.00 0.00 C ATOM 95 C LYS A 6 1.474 2.160 -1.186 1.00 0.00 C ATOM 96 O LYS A 6 0.526 2.515 -0.483 1.00 0.00 O ATOM 97 CB LYS A 6 1.479 -0.345 -0.932 1.00 0.00 C ATOM 98 CG LYS A 6 1.019 -0.629 -2.364 1.00 0.00 C ATOM 99 CD LYS A 6 0.235 -1.942 -2.490 1.00 0.00 C ATOM 100 CE LYS A 6 -1.185 -1.844 -1.926 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.211 -1.690 -0.445 1.00 0.00 N ATOM 0 H LYS A 6 2.335 1.698 1.171 1.00 0.00 H new ATOM 0 HA LYS A 6 3.168 0.876 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.063 -1.192 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.604 -0.264 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.395 0.195 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.889 -0.667 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.184 -2.230 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.774 -2.733 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.694 -0.996 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.743 -2.738 -2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.110 -2.059 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.420 -2.220 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.122 -0.683 -0.199 1.00 0.00 H new ATOM 115 N ILE A 7 1.814 2.791 -2.313 1.00 0.00 N ATOM 116 CA ILE A 7 1.108 3.995 -2.775 1.00 0.00 C ATOM 117 C ILE A 7 -0.005 3.654 -3.784 1.00 0.00 C ATOM 118 O ILE A 7 0.194 2.848 -4.694 1.00 0.00 O ATOM 119 CB ILE A 7 2.088 5.006 -3.435 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.241 5.345 -2.474 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.347 6.279 -3.858 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.270 6.297 -3.056 1.00 0.00 C ATOM 0 H ILE A 7 2.573 2.490 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 7 0.659 4.446 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 7 2.509 4.543 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.827 5.784 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.740 4.421 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.050 6.974 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.567 6.025 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.896 6.746 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.049 6.486 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.714 5.853 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.787 7.237 -3.322 1.00 0.00 H new ATOM 134 N LEU A 8 -1.171 4.277 -3.614 1.00 0.00 N ATOM 135 CA LEU A 8 -2.284 4.133 -4.567 1.00 0.00 C ATOM 136 C LEU A 8 -3.049 5.458 -4.710 1.00 0.00 C ATOM 137 O LEU A 8 -2.800 6.408 -3.970 1.00 0.00 O ATOM 138 CB LEU A 8 -3.252 3.005 -4.144 1.00 0.00 C ATOM 139 CG LEU A 8 -4.137 3.281 -2.909 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.174 2.172 -2.733 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.291 3.423 -1.646 1.00 0.00 C ATOM 0 H LEU A 8 -1.375 4.889 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.855 3.865 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.905 2.782 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.665 2.108 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.658 4.224 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.788 2.384 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.808 2.123 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.666 1.217 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.941 3.617 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.734 2.502 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.594 4.252 -1.767 1.00 0.00 H new ATOM 153 N SER A 9 -3.978 5.521 -5.659 1.00 0.00 N ATOM 154 CA SER A 9 -4.746 6.753 -5.904 1.00 0.00 C ATOM 155 C SER A 9 -5.828 6.968 -4.832 1.00 0.00 C ATOM 156 O SER A 9 -6.473 6.017 -4.385 1.00 0.00 O ATOM 157 CB SER A 9 -5.400 6.716 -7.294 1.00 0.00 C ATOM 158 OG SER A 9 -4.432 6.543 -8.319 1.00 0.00 O ATOM 0 H SER A 9 -4.222 4.743 -6.271 1.00 0.00 H new ATOM 0 HA SER A 9 -4.044 7.586 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.125 5.903 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.950 7.642 -7.464 1.00 0.00 H new ATOM 0 HG SER A 9 -4.879 6.522 -9.191 1.00 0.00 H new ATOM 164 N ARG A 10 -6.041 8.229 -4.446 1.00 0.00 N ATOM 165 CA ARG A 10 -7.006 8.579 -3.391 1.00 0.00 C ATOM 166 C ARG A 10 -8.416 8.048 -3.702 1.00 0.00 C ATOM 167 O ARG A 10 -9.086 7.504 -2.825 1.00 0.00 O ATOM 168 CB ARG A 10 -7.042 10.106 -3.193 1.00 0.00 C ATOM 169 CG ARG A 10 -7.925 10.571 -2.030 1.00 0.00 C ATOM 170 CD ARG A 10 -7.424 10.047 -0.683 1.00 0.00 C ATOM 171 NE ARG A 10 -8.225 10.543 0.435 1.00 0.00 N ATOM 172 CZ ARG A 10 -8.166 10.076 1.657 1.00 0.00 C ATOM 173 NH1 ARG A 10 -7.343 9.121 1.971 1.00 0.00 N ATOM 174 NH2 ARG A 10 -8.927 10.583 2.566 1.00 0.00 N ATOM 0 H ARG A 10 -5.557 9.031 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.674 8.102 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.026 10.463 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.397 10.571 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.951 11.660 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.948 10.231 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.446 8.957 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.385 10.344 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.876 11.307 0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.729 8.723 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.311 8.770 2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.568 11.341 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.888 10.226 3.521 1.00 0.00 H new ATOM 188 N ALA A 11 -8.858 8.208 -4.949 1.00 0.00 N ATOM 189 CA ALA A 11 -10.169 7.699 -5.385 1.00 0.00 C ATOM 190 C ALA A 11 -10.293 6.177 -5.193 1.00 0.00 C ATOM 191 O ALA A 11 -11.345 5.667 -4.797 1.00 0.00 O ATOM 192 CB ALA A 11 -10.412 8.062 -6.846 1.00 0.00 C ATOM 0 H ALA A 11 -8.331 8.686 -5.680 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.927 8.171 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.384 7.681 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.393 9.146 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.632 7.619 -7.466 1.00 0.00 H new ATOM 198 N GLU A 12 -9.212 5.458 -5.478 1.00 0.00 N ATOM 199 CA GLU A 12 -9.178 4.001 -5.315 1.00 0.00 C ATOM 200 C GLU A 12 -9.209 3.613 -3.826 1.00 0.00 C ATOM 201 O GLU A 12 -9.932 2.700 -3.422 1.00 0.00 O ATOM 202 CB GLU A 12 -7.926 3.434 -6.005 1.00 0.00 C ATOM 203 CG GLU A 12 -7.748 1.925 -5.852 1.00 0.00 C ATOM 204 CD GLU A 12 -6.635 1.369 -6.732 1.00 0.00 C ATOM 205 OE1 GLU A 12 -5.476 1.816 -6.586 1.00 0.00 O ATOM 206 OE2 GLU A 12 -6.917 0.485 -7.573 1.00 0.00 O ATOM 0 H GLU A 12 -8.341 5.860 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.064 3.573 -5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.971 3.676 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.046 3.934 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.530 1.693 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.685 1.426 -6.101 1.00 0.00 H new ATOM 213 N TRP A 13 -8.431 4.328 -3.014 1.00 0.00 N ATOM 214 CA TRP A 13 -8.413 4.107 -1.564 1.00 0.00 C ATOM 215 C TRP A 13 -9.756 4.489 -0.915 1.00 0.00 C ATOM 216 O TRP A 13 -10.195 3.851 0.043 1.00 0.00 O ATOM 217 CB TRP A 13 -7.265 4.899 -0.923 1.00 0.00 C ATOM 218 CG TRP A 13 -7.238 4.815 0.579 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.354 5.853 1.456 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.093 3.631 1.377 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.287 5.391 2.745 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.129 4.031 2.725 1.00 0.00 C ATOM 223 CE3 TRP A 13 -6.939 2.272 1.082 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.015 3.124 3.777 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -6.828 1.371 2.125 1.00 0.00 C ATOM 226 CH2 TRP A 13 -6.866 1.800 3.459 1.00 0.00 C ATOM 0 H TRP A 13 -7.804 5.066 -3.334 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.254 3.043 -1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.317 4.531 -1.316 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.348 5.945 -1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.480 6.888 1.176 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.345 5.968 3.584 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.907 1.933 0.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.043 3.453 4.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.710 0.320 1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.776 1.072 4.252 1.00 0.00 H new ATOM 237 N ASP A 14 -10.407 5.525 -1.443 1.00 0.00 N ATOM 238 CA ASP A 14 -11.712 5.958 -0.934 1.00 0.00 C ATOM 239 C ASP A 14 -12.736 4.829 -1.061 1.00 0.00 C ATOM 240 O ASP A 14 -13.411 4.464 -0.096 1.00 0.00 O ATOM 241 CB ASP A 14 -12.200 7.186 -1.703 1.00 0.00 C ATOM 242 CG ASP A 14 -13.364 7.869 -1.008 1.00 0.00 C ATOM 243 OD1 ASP A 14 -13.163 8.399 0.109 1.00 0.00 O ATOM 244 OD2 ASP A 14 -14.483 7.868 -1.564 1.00 0.00 O ATOM 0 H ASP A 14 -10.054 6.081 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.601 6.218 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.379 7.894 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.502 6.888 -2.707 1.00 0.00 H new ATOM 249 N ALA A 15 -12.831 4.286 -2.270 1.00 0.00 N ATOM 250 CA ALA A 15 -13.677 3.131 -2.553 1.00 0.00 C ATOM 251 C ALA A 15 -13.334 1.953 -1.626 1.00 0.00 C ATOM 252 O ALA A 15 -14.221 1.257 -1.131 1.00 0.00 O ATOM 253 CB ALA A 15 -13.516 2.744 -4.017 1.00 0.00 C ATOM 0 H ALA A 15 -12.323 4.635 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.718 3.393 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.145 1.881 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.814 3.581 -4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.474 2.493 -4.214 1.00 0.00 H new ATOM 259 N ALA A 16 -12.039 1.754 -1.377 1.00 0.00 N ATOM 260 CA ALA A 16 -11.575 0.730 -0.434 1.00 0.00 C ATOM 261 C ALA A 16 -12.131 0.976 0.981 1.00 0.00 C ATOM 262 O ALA A 16 -12.615 0.053 1.638 1.00 0.00 O ATOM 263 CB ALA A 16 -10.052 0.691 -0.408 1.00 0.00 C ATOM 0 H ALA A 16 -11.289 2.289 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.949 -0.236 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.720 -0.073 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.677 0.455 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.668 1.663 -0.097 1.00 0.00 H new ATOM 269 N LYS A 17 -12.064 2.229 1.441 1.00 0.00 N ATOM 270 CA LYS A 17 -12.618 2.608 2.748 1.00 0.00 C ATOM 271 C LYS A 17 -14.131 2.352 2.801 1.00 0.00 C ATOM 272 O LYS A 17 -14.670 1.961 3.838 1.00 0.00 O ATOM 273 CB LYS A 17 -12.317 4.084 3.061 1.00 0.00 C ATOM 274 CG LYS A 17 -10.829 4.400 3.185 1.00 0.00 C ATOM 275 CD LYS A 17 -10.563 5.844 3.628 1.00 0.00 C ATOM 276 CE LYS A 17 -10.987 6.882 2.585 1.00 0.00 C ATOM 277 NZ LYS A 17 -12.460 7.105 2.550 1.00 0.00 N ATOM 0 H LYS A 17 -11.632 2.999 0.930 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.139 1.987 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.746 4.706 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.815 4.357 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.375 3.715 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.344 4.224 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.096 6.036 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.500 5.963 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.487 7.827 2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.651 6.558 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.839 6.776 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.910 6.575 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.660 8.119 2.663 1.00 0.00 H new ATOM 291 N ALA A 18 -14.810 2.573 1.677 1.00 0.00 N ATOM 292 CA ALA A 18 -16.235 2.250 1.558 1.00 0.00 C ATOM 293 C ALA A 18 -16.479 0.745 1.744 1.00 0.00 C ATOM 294 O ALA A 18 -17.422 0.331 2.422 1.00 0.00 O ATOM 295 CB ALA A 18 -16.767 2.703 0.207 1.00 0.00 C ATOM 0 H ALA A 18 -14.399 2.974 0.834 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.768 2.781 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.826 2.457 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.637 3.781 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.220 2.196 -0.588 1.00 0.00 H new ATOM 301 N GLN A 19 -15.613 -0.066 1.139 1.00 0.00 N ATOM 302 CA GLN A 19 -15.678 -1.526 1.280 1.00 0.00 C ATOM 303 C GLN A 19 -15.263 -1.968 2.694 1.00 0.00 C ATOM 304 O GLN A 19 -15.678 -3.021 3.170 1.00 0.00 O ATOM 305 CB GLN A 19 -14.757 -2.201 0.247 1.00 0.00 C ATOM 306 CG GLN A 19 -15.006 -1.766 -1.195 1.00 0.00 C ATOM 307 CD GLN A 19 -16.383 -2.147 -1.710 1.00 0.00 C ATOM 308 OE1 GLN A 19 -16.953 -3.157 -1.312 1.00 0.00 O ATOM 309 NE2 GLN A 19 -16.924 -1.346 -2.603 1.00 0.00 N ATOM 0 H GLN A 19 -14.853 0.262 0.543 1.00 0.00 H new ATOM 0 HA GLN A 19 -16.710 -1.830 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.720 -1.985 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.884 -3.281 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.886 -0.685 -1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.249 -2.214 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.422 -0.514 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.845 -1.557 -2.986 1.00 0.00 H new ATOM 318 N GLY A 20 -14.429 -1.157 3.355 1.00 0.00 N ATOM 319 CA GLY A 20 -13.884 -1.525 4.665 1.00 0.00 C ATOM 320 C GLY A 20 -12.762 -2.557 4.560 1.00 0.00 C ATOM 321 O GLY A 20 -12.143 -2.935 5.558 1.00 0.00 O ATOM 0 H GLY A 20 -14.119 -0.249 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.507 -0.632 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.684 -1.924 5.289 1.00 0.00 H new ATOM 325 N ARG A 21 -12.483 -2.974 3.332 1.00 0.00 N ATOM 326 CA ARG A 21 -11.538 -4.052 3.051 1.00 0.00 C ATOM 327 C ARG A 21 -10.883 -3.844 1.674 1.00 0.00 C ATOM 328 O ARG A 21 -11.566 -3.539 0.694 1.00 0.00 O ATOM 329 CB ARG A 21 -12.285 -5.393 3.098 1.00 0.00 C ATOM 330 CG ARG A 21 -11.473 -6.596 2.636 1.00 0.00 C ATOM 331 CD ARG A 21 -12.346 -7.846 2.536 1.00 0.00 C ATOM 332 NE ARG A 21 -11.733 -8.890 1.715 1.00 0.00 N ATOM 333 CZ ARG A 21 -11.548 -8.792 0.422 1.00 0.00 C ATOM 334 NH1 ARG A 21 -11.925 -7.733 -0.222 1.00 0.00 N ATOM 335 NH2 ARG A 21 -11.010 -9.770 -0.231 1.00 0.00 N ATOM 0 H ARG A 21 -12.908 -2.573 2.496 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.747 -4.052 3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.620 -5.570 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.178 -5.316 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.024 -6.384 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.655 -6.775 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.532 -8.237 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.314 -7.577 2.114 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.431 -9.747 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.371 -6.964 0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.776 -7.668 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.729 -10.618 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.866 -9.693 -1.238 1.00 0.00 H new ATOM 349 N PHE A 22 -9.566 -4.012 1.605 1.00 0.00 N ATOM 350 CA PHE A 22 -8.813 -3.761 0.369 1.00 0.00 C ATOM 351 C PHE A 22 -7.805 -4.887 0.083 1.00 0.00 C ATOM 352 O PHE A 22 -7.035 -5.281 0.957 1.00 0.00 O ATOM 353 CB PHE A 22 -8.082 -2.413 0.482 1.00 0.00 C ATOM 354 CG PHE A 22 -7.208 -2.074 -0.705 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.767 -1.648 -1.901 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.825 -2.184 -0.621 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.968 -1.339 -2.987 1.00 0.00 C ATOM 358 CE2 PHE A 22 -5.023 -1.877 -1.704 1.00 0.00 C ATOM 359 CZ PHE A 22 -5.595 -1.454 -2.887 1.00 0.00 C ATOM 0 H PHE A 22 -8.992 -4.321 2.389 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.518 -3.731 -0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.821 -1.622 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.465 -2.422 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.840 -1.556 -1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.371 -2.513 0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.417 -1.008 -3.912 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.950 -1.968 -1.625 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.969 -1.213 -3.734 1.00 0.00 H new ATOM 369 N GLU A 23 -7.820 -5.406 -1.140 1.00 0.00 N ATOM 370 CA GLU A 23 -6.845 -6.419 -1.560 1.00 0.00 C ATOM 371 C GLU A 23 -5.717 -5.794 -2.405 1.00 0.00 C ATOM 372 O GLU A 23 -4.607 -5.586 -1.911 1.00 0.00 O ATOM 373 CB GLU A 23 -7.528 -7.584 -2.318 1.00 0.00 C ATOM 374 CG GLU A 23 -8.561 -7.164 -3.369 1.00 0.00 C ATOM 375 CD GLU A 23 -9.941 -6.895 -2.779 1.00 0.00 C ATOM 376 OE1 GLU A 23 -10.731 -7.855 -2.649 1.00 0.00 O ATOM 377 OE2 GLU A 23 -10.239 -5.732 -2.439 1.00 0.00 O ATOM 0 H GLU A 23 -8.493 -5.146 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.396 -6.832 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.757 -8.179 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.017 -8.232 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.209 -6.266 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.641 -7.947 -4.123 1.00 0.00 H new ATOM 384 N GLY A 24 -6.007 -5.464 -3.664 1.00 0.00 N ATOM 385 CA GLY A 24 -4.974 -4.929 -4.548 1.00 0.00 C ATOM 386 C GLY A 24 -5.527 -4.123 -5.722 1.00 0.00 C ATOM 387 O GLY A 24 -6.273 -3.166 -5.527 1.00 0.00 O ATOM 0 H GLY A 24 -6.930 -5.556 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.304 -4.295 -3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.376 -5.754 -4.935 1.00 0.00 H new ATOM 391 N SER A 25 -5.172 -4.520 -6.946 1.00 0.00 N ATOM 392 CA SER A 25 -5.523 -3.747 -8.152 1.00 0.00 C ATOM 393 C SER A 25 -5.084 -4.485 -9.431 1.00 0.00 C ATOM 394 O SER A 25 -4.769 -5.670 -9.393 1.00 0.00 O ATOM 395 CB SER A 25 -4.884 -2.346 -8.098 1.00 0.00 C ATOM 396 OG SER A 25 -5.338 -1.523 -9.162 1.00 0.00 O ATOM 0 H SER A 25 -4.642 -5.371 -7.134 1.00 0.00 H new ATOM 0 HA SER A 25 -6.607 -3.638 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.122 -1.874 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.799 -2.438 -8.146 1.00 0.00 H new ATOM 0 HG SER A 25 -5.901 -0.805 -8.803 1.00 0.00 H new ATOM 402 N ALA A 26 -5.057 -3.775 -10.560 1.00 0.00 N ATOM 403 CA ALA A 26 -4.750 -4.380 -11.866 1.00 0.00 C ATOM 404 C ALA A 26 -3.393 -5.119 -11.887 1.00 0.00 C ATOM 405 O ALA A 26 -3.346 -6.334 -12.097 1.00 0.00 O ATOM 406 CB ALA A 26 -4.792 -3.314 -12.955 1.00 0.00 C ATOM 0 H ALA A 26 -5.245 -2.773 -10.600 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.515 -5.133 -12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.564 -3.769 -13.919 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.786 -2.869 -12.990 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.056 -2.541 -12.736 1.00 0.00 H new ATOM 412 N VAL A 27 -2.294 -4.382 -11.684 1.00 0.00 N ATOM 413 CA VAL A 27 -0.945 -4.980 -11.666 1.00 0.00 C ATOM 414 C VAL A 27 -0.844 -6.115 -10.629 1.00 0.00 C ATOM 415 O VAL A 27 -0.243 -7.160 -10.885 1.00 0.00 O ATOM 416 CB VAL A 27 0.147 -3.911 -11.378 1.00 0.00 C ATOM 417 CG1 VAL A 27 -0.090 -3.224 -10.033 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.546 -4.530 -11.437 1.00 0.00 C ATOM 0 H VAL A 27 -2.308 -3.374 -11.530 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.773 -5.397 -12.658 1.00 0.00 H new ATOM 0 HB VAL A 27 0.080 -3.150 -12.155 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.690 -2.482 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.063 -2.732 -10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.067 -3.967 -9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.292 -3.762 -11.232 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.625 -5.321 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.718 -4.947 -12.429 1.00 0.00 H new ATOM 428 N ASP A 28 -1.459 -5.898 -9.471 1.00 0.00 N ATOM 429 CA ASP A 28 -1.508 -6.899 -8.402 1.00 0.00 C ATOM 430 C ASP A 28 -2.136 -8.218 -8.894 1.00 0.00 C ATOM 431 O ASP A 28 -1.532 -9.284 -8.783 1.00 0.00 O ATOM 432 CB ASP A 28 -2.283 -6.306 -7.213 1.00 0.00 C ATOM 433 CG ASP A 28 -3.022 -7.347 -6.393 1.00 0.00 C ATOM 434 OD1 ASP A 28 -2.373 -8.074 -5.625 1.00 0.00 O ATOM 435 OD2 ASP A 28 -4.264 -7.432 -6.522 1.00 0.00 O ATOM 0 H ASP A 28 -1.938 -5.026 -9.244 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.495 -7.145 -8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.587 -5.772 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.999 -5.573 -7.585 1.00 0.00 H new ATOM 440 N LEU A 29 -3.341 -8.137 -9.449 1.00 0.00 N ATOM 441 CA LEU A 29 -4.014 -9.315 -9.999 1.00 0.00 C ATOM 442 C LEU A 29 -3.348 -9.805 -11.297 1.00 0.00 C ATOM 443 O LEU A 29 -3.624 -10.913 -11.761 1.00 0.00 O ATOM 444 CB LEU A 29 -5.501 -9.015 -10.238 1.00 0.00 C ATOM 445 CG LEU A 29 -6.323 -8.750 -8.964 1.00 0.00 C ATOM 446 CD1 LEU A 29 -7.767 -8.403 -9.311 1.00 0.00 C ATOM 447 CD2 LEU A 29 -6.270 -9.958 -8.028 1.00 0.00 C ATOM 0 H LEU A 29 -3.873 -7.271 -9.531 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.925 -10.117 -9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.581 -8.146 -10.891 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.945 -9.856 -10.771 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.883 -7.896 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.328 -8.220 -8.394 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.787 -7.508 -9.933 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.220 -9.232 -9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.857 -9.751 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.679 -10.831 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.236 -10.155 -7.746 1.00 0.00 H new ATOM 459 N ALA A 30 -2.476 -8.982 -11.883 1.00 0.00 N ATOM 460 CA ALA A 30 -1.713 -9.388 -13.069 1.00 0.00 C ATOM 461 C ALA A 30 -0.737 -10.522 -12.722 1.00 0.00 C ATOM 462 O ALA A 30 -0.754 -11.584 -13.351 1.00 0.00 O ATOM 463 CB ALA A 30 -0.969 -8.197 -13.668 1.00 0.00 C ATOM 0 H ALA A 30 -2.280 -8.035 -11.559 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.415 -9.759 -13.816 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.410 -8.521 -14.546 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.686 -7.428 -13.957 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.279 -7.790 -12.929 1.00 0.00 H new ATOM 469 N ASP A 31 0.111 -10.300 -11.718 1.00 0.00 N ATOM 470 CA ASP A 31 1.007 -11.357 -11.231 1.00 0.00 C ATOM 471 C ASP A 31 0.262 -12.336 -10.301 1.00 0.00 C ATOM 472 O ASP A 31 0.452 -13.553 -10.386 1.00 0.00 O ATOM 473 CB ASP A 31 2.239 -10.757 -10.540 1.00 0.00 C ATOM 474 CG ASP A 31 1.887 -9.671 -9.544 1.00 0.00 C ATOM 475 OD1 ASP A 31 1.423 -10.001 -8.438 1.00 0.00 O ATOM 476 OD2 ASP A 31 2.093 -8.479 -9.867 1.00 0.00 O ATOM 0 H ASP A 31 0.199 -9.409 -11.228 1.00 0.00 H new ATOM 0 HA ASP A 31 1.354 -11.926 -12.094 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.784 -11.550 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.909 -10.347 -11.295 1.00 0.00 H new ATOM 481 N GLY A 32 -0.578 -11.800 -9.417 1.00 0.00 N ATOM 482 CA GLY A 32 -1.484 -12.635 -8.626 1.00 0.00 C ATOM 483 C GLY A 32 -1.254 -12.580 -7.115 1.00 0.00 C ATOM 484 O GLY A 32 -1.786 -13.418 -6.379 1.00 0.00 O ATOM 0 H GLY A 32 -0.651 -10.800 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.510 -12.331 -8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.384 -13.669 -8.957 1.00 0.00 H new ATOM 488 N PHE A 33 -0.475 -11.610 -6.639 1.00 0.00 N ATOM 489 CA PHE A 33 -0.200 -11.487 -5.197 1.00 0.00 C ATOM 490 C PHE A 33 0.005 -10.026 -4.765 1.00 0.00 C ATOM 491 O PHE A 33 0.668 -9.250 -5.450 1.00 0.00 O ATOM 492 CB PHE A 33 1.019 -12.341 -4.806 1.00 0.00 C ATOM 493 CG PHE A 33 2.227 -12.156 -5.697 1.00 0.00 C ATOM 494 CD1 PHE A 33 3.141 -11.136 -5.460 1.00 0.00 C ATOM 495 CD2 PHE A 33 2.447 -13.007 -6.772 1.00 0.00 C ATOM 496 CE1 PHE A 33 4.245 -10.972 -6.276 1.00 0.00 C ATOM 497 CE2 PHE A 33 3.551 -12.845 -7.592 1.00 0.00 C ATOM 498 CZ PHE A 33 4.450 -11.827 -7.343 1.00 0.00 C ATOM 0 H PHE A 33 -0.024 -10.902 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.079 -11.858 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.300 -12.102 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.730 -13.392 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.987 -10.464 -4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.748 -13.806 -6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.948 -10.176 -6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.709 -13.514 -8.425 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.312 -11.699 -7.981 1.00 0.00 H new ATOM 508 N ILE A 34 -0.549 -9.670 -3.602 1.00 0.00 N ATOM 509 CA ILE A 34 -0.476 -8.294 -3.094 1.00 0.00 C ATOM 510 C ILE A 34 0.974 -7.896 -2.777 1.00 0.00 C ATOM 511 O ILE A 34 1.458 -8.068 -1.658 1.00 0.00 O ATOM 512 CB ILE A 34 -1.363 -8.103 -1.834 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.789 -8.620 -2.101 1.00 0.00 C ATOM 514 CG2 ILE A 34 -1.392 -6.631 -1.408 1.00 0.00 C ATOM 515 CD1 ILE A 34 -3.703 -8.562 -0.893 1.00 0.00 C ATOM 0 H ILE A 34 -1.053 -10.315 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.854 -7.643 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.932 -8.682 -1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.232 -8.035 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.731 -9.651 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.019 -6.521 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.380 -6.299 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.798 -6.026 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.688 -8.943 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.286 -9.171 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.794 -7.530 -0.555 1.00 0.00 H new ATOM 527 N HIS A 35 1.671 -7.391 -3.784 1.00 0.00 N ATOM 528 CA HIS A 35 3.077 -7.001 -3.637 1.00 0.00 C ATOM 529 C HIS A 35 3.234 -5.513 -3.279 1.00 0.00 C ATOM 530 O HIS A 35 2.939 -4.629 -4.084 1.00 0.00 O ATOM 531 CB HIS A 35 3.855 -7.328 -4.920 1.00 0.00 C ATOM 532 CG HIS A 35 3.218 -6.809 -6.174 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.532 -5.592 -6.733 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.293 -7.363 -6.988 1.00 0.00 C ATOM 535 CE1 HIS A 35 2.829 -5.422 -7.834 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.068 -6.484 -8.015 1.00 0.00 N ATOM 0 H HIS A 35 1.290 -7.239 -4.718 1.00 0.00 H new ATOM 0 HA HIS A 35 3.490 -7.577 -2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.860 -6.914 -4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.962 -8.410 -5.001 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.818 -8.323 -6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.869 -4.558 -8.480 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.420 -6.627 -8.790 1.00 0.00 H new ATOM 545 N LEU A 36 3.698 -5.251 -2.060 1.00 0.00 N ATOM 546 CA LEU A 36 3.967 -3.884 -1.602 1.00 0.00 C ATOM 547 C LEU A 36 5.447 -3.520 -1.818 1.00 0.00 C ATOM 548 O LEU A 36 6.139 -4.142 -2.628 1.00 0.00 O ATOM 549 CB LEU A 36 3.590 -3.726 -0.113 1.00 0.00 C ATOM 550 CG LEU A 36 2.110 -3.984 0.240 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.797 -5.478 0.269 1.00 0.00 C ATOM 552 CD2 LEU A 36 1.752 -3.329 1.573 1.00 0.00 C ATOM 0 H LEU A 36 3.898 -5.970 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 36 3.353 -3.202 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.207 -4.408 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.847 -2.714 0.201 1.00 0.00 H new ATOM 0 HG LEU A 36 1.498 -3.533 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.747 -5.625 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.999 -5.911 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.421 -5.966 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.704 -3.523 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.380 -3.743 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.916 -2.254 1.506 1.00 0.00 H new ATOM 564 N SER A 37 5.920 -2.500 -1.110 1.00 0.00 N ATOM 565 CA SER A 37 7.325 -2.081 -1.192 1.00 0.00 C ATOM 566 C SER A 37 7.846 -1.634 0.179 1.00 0.00 C ATOM 567 O SER A 37 7.076 -1.196 1.036 1.00 0.00 O ATOM 568 CB SER A 37 7.484 -0.934 -2.202 1.00 0.00 C ATOM 569 OG SER A 37 6.696 0.191 -1.839 1.00 0.00 O ATOM 0 H SER A 37 5.354 -1.943 -0.470 1.00 0.00 H new ATOM 0 HA SER A 37 7.910 -2.938 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.532 -0.642 -2.260 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.193 -1.278 -3.194 1.00 0.00 H new ATOM 0 HG SER A 37 6.056 -0.069 -1.144 1.00 0.00 H new ATOM 575 N ALA A 38 9.151 -1.762 0.384 1.00 0.00 N ATOM 576 CA ALA A 38 9.798 -1.261 1.600 1.00 0.00 C ATOM 577 C ALA A 38 9.933 0.268 1.557 1.00 0.00 C ATOM 578 O ALA A 38 9.554 0.906 0.573 1.00 0.00 O ATOM 579 CB ALA A 38 11.166 -1.912 1.782 1.00 0.00 C ATOM 0 H ALA A 38 9.788 -2.209 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 38 9.171 -1.523 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.633 -1.529 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.047 -2.992 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.796 -1.680 0.924 1.00 0.00 H new ATOM 585 N GLY A 39 10.485 0.850 2.618 1.00 0.00 N ATOM 586 CA GLY A 39 10.620 2.301 2.695 1.00 0.00 C ATOM 587 C GLY A 39 11.355 2.912 1.504 1.00 0.00 C ATOM 588 O GLY A 39 10.761 3.640 0.702 1.00 0.00 O ATOM 0 H GLY A 39 10.843 0.345 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.628 2.746 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.152 2.560 3.611 1.00 0.00 H new ATOM 592 N GLU A 40 12.650 2.620 1.387 1.00 0.00 N ATOM 593 CA GLU A 40 13.466 3.143 0.283 1.00 0.00 C ATOM 594 C GLU A 40 12.860 2.769 -1.079 1.00 0.00 C ATOM 595 O GLU A 40 12.800 3.596 -1.988 1.00 0.00 O ATOM 596 CB GLU A 40 14.914 2.619 0.349 1.00 0.00 C ATOM 597 CG GLU A 40 15.606 2.783 1.704 1.00 0.00 C ATOM 598 CD GLU A 40 15.209 1.702 2.697 1.00 0.00 C ATOM 599 OE1 GLU A 40 15.650 0.543 2.521 1.00 0.00 O ATOM 600 OE2 GLU A 40 14.433 1.994 3.629 1.00 0.00 O ATOM 0 H GLU A 40 13.159 2.025 2.040 1.00 0.00 H new ATOM 0 HA GLU A 40 13.478 4.228 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.913 1.561 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.505 3.135 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.686 2.761 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.359 3.760 2.118 1.00 0.00 H new ATOM 607 N GLN A 41 12.402 1.520 -1.206 1.00 0.00 N ATOM 608 CA GLN A 41 11.805 1.034 -2.459 1.00 0.00 C ATOM 609 C GLN A 41 10.621 1.910 -2.893 1.00 0.00 C ATOM 610 O GLN A 41 10.490 2.259 -4.070 1.00 0.00 O ATOM 611 CB GLN A 41 11.339 -0.420 -2.304 1.00 0.00 C ATOM 612 CG GLN A 41 12.428 -1.374 -1.828 1.00 0.00 C ATOM 613 CD GLN A 41 11.946 -2.812 -1.712 1.00 0.00 C ATOM 614 OE1 GLN A 41 10.767 -3.074 -1.503 1.00 0.00 O ATOM 615 NE2 GLN A 41 12.859 -3.752 -1.818 1.00 0.00 N ATOM 0 H GLN A 41 12.432 0.826 -0.459 1.00 0.00 H new ATOM 0 HA GLN A 41 12.574 1.087 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.509 -0.451 -1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.956 -0.772 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.268 -1.333 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.798 -1.041 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.832 -3.501 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.594 -4.733 -1.726 1.00 0.00 H new ATOM 624 N ALA A 42 9.764 2.259 -1.934 1.00 0.00 N ATOM 625 CA ALA A 42 8.624 3.141 -2.194 1.00 0.00 C ATOM 626 C ALA A 42 9.093 4.509 -2.706 1.00 0.00 C ATOM 627 O ALA A 42 8.530 5.054 -3.656 1.00 0.00 O ATOM 628 CB ALA A 42 7.782 3.304 -0.934 1.00 0.00 C ATOM 0 H ALA A 42 9.837 1.944 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 42 8.010 2.683 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.939 3.962 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.412 2.330 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.393 3.737 -0.142 1.00 0.00 H new ATOM 634 N GLN A 43 10.138 5.051 -2.077 1.00 0.00 N ATOM 635 CA GLN A 43 10.709 6.338 -2.487 1.00 0.00 C ATOM 636 C GLN A 43 11.304 6.268 -3.903 1.00 0.00 C ATOM 637 O GLN A 43 11.187 7.219 -4.674 1.00 0.00 O ATOM 638 CB GLN A 43 11.773 6.800 -1.480 1.00 0.00 C ATOM 639 CG GLN A 43 12.456 8.113 -1.863 1.00 0.00 C ATOM 640 CD GLN A 43 13.334 8.670 -0.755 1.00 0.00 C ATOM 641 OE1 GLN A 43 14.510 8.350 -0.651 1.00 0.00 O ATOM 642 NE2 GLN A 43 12.767 9.522 0.075 1.00 0.00 N ATOM 0 H GLN A 43 10.607 4.619 -1.281 1.00 0.00 H new ATOM 0 HA GLN A 43 9.900 7.068 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.308 6.915 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.530 6.022 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.063 7.954 -2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.696 8.850 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.784 9.768 -0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.311 9.936 0.832 1.00 0.00 H new ATOM 651 N GLU A 44 11.936 5.144 -4.243 1.00 0.00 N ATOM 652 CA GLU A 44 12.475 4.939 -5.595 1.00 0.00 C ATOM 653 C GLU A 44 11.353 4.949 -6.640 1.00 0.00 C ATOM 654 O GLU A 44 11.421 5.676 -7.636 1.00 0.00 O ATOM 655 CB GLU A 44 13.249 3.614 -5.680 1.00 0.00 C ATOM 656 CG GLU A 44 14.423 3.515 -4.713 1.00 0.00 C ATOM 657 CD GLU A 44 15.142 2.177 -4.800 1.00 0.00 C ATOM 658 OE1 GLU A 44 14.635 1.187 -4.231 1.00 0.00 O ATOM 659 OE2 GLU A 44 16.215 2.107 -5.439 1.00 0.00 O ATOM 0 H GLU A 44 12.089 4.362 -3.606 1.00 0.00 H new ATOM 0 HA GLU A 44 13.158 5.762 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.561 2.791 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.619 3.486 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.130 4.317 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.064 3.665 -3.695 1.00 0.00 H new ATOM 666 N THR A 45 10.322 4.137 -6.406 1.00 0.00 N ATOM 667 CA THR A 45 9.145 4.099 -7.283 1.00 0.00 C ATOM 668 C THR A 45 8.450 5.464 -7.324 1.00 0.00 C ATOM 669 O THR A 45 7.925 5.877 -8.356 1.00 0.00 O ATOM 670 CB THR A 45 8.124 3.029 -6.820 1.00 0.00 C ATOM 671 OG1 THR A 45 8.757 1.741 -6.756 1.00 0.00 O ATOM 672 CG2 THR A 45 6.926 2.961 -7.767 1.00 0.00 C ATOM 0 H THR A 45 10.275 3.494 -5.615 1.00 0.00 H new ATOM 0 HA THR A 45 9.501 3.840 -8.280 1.00 0.00 H new ATOM 0 HB THR A 45 7.766 3.313 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.348 1.705 -5.975 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.227 2.202 -7.416 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.427 3.930 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.269 2.703 -8.769 1.00 0.00 H new ATOM 680 N ALA A 46 8.457 6.161 -6.195 1.00 0.00 N ATOM 681 CA ALA A 46 7.860 7.493 -6.105 1.00 0.00 C ATOM 682 C ALA A 46 8.644 8.525 -6.930 1.00 0.00 C ATOM 683 O ALA A 46 8.065 9.258 -7.724 1.00 0.00 O ATOM 684 CB ALA A 46 7.759 7.925 -4.649 1.00 0.00 C ATOM 0 H ALA A 46 8.870 5.827 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 46 6.856 7.440 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.313 8.918 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.137 7.217 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.755 7.950 -4.207 1.00 0.00 H new ATOM 690 N ALA A 47 9.965 8.558 -6.766 1.00 0.00 N ATOM 691 CA ALA A 47 10.810 9.514 -7.495 1.00 0.00 C ATOM 692 C ALA A 47 10.761 9.270 -9.015 1.00 0.00 C ATOM 693 O ALA A 47 11.182 10.113 -9.808 1.00 0.00 O ATOM 694 CB ALA A 47 12.245 9.432 -6.986 1.00 0.00 C ATOM 0 H ALA A 47 10.476 7.938 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 47 10.422 10.516 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.866 10.143 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.268 9.670 -5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.629 8.423 -7.140 1.00 0.00 H new ATOM 700 N LYS A 48 10.250 8.104 -9.405 1.00 0.00 N ATOM 701 CA LYS A 48 10.109 7.740 -10.818 1.00 0.00 C ATOM 702 C LYS A 48 8.672 7.977 -11.319 1.00 0.00 C ATOM 703 O LYS A 48 8.434 8.802 -12.203 1.00 0.00 O ATOM 704 CB LYS A 48 10.499 6.265 -10.999 1.00 0.00 C ATOM 705 CG LYS A 48 10.471 5.780 -12.444 1.00 0.00 C ATOM 706 CD LYS A 48 10.863 4.307 -12.553 1.00 0.00 C ATOM 707 CE LYS A 48 10.949 3.847 -14.004 1.00 0.00 C ATOM 708 NZ LYS A 48 11.976 4.610 -14.765 1.00 0.00 N ATOM 0 H LYS A 48 9.923 7.387 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 48 10.771 8.373 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.501 6.115 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.823 5.648 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.472 5.922 -12.856 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.152 6.383 -13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.825 4.150 -12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.133 3.697 -12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.189 2.784 -14.035 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.977 3.969 -14.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.212 4.098 -15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.602 5.550 -15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.832 4.716 -14.183 1.00 0.00 H new ATOM 722 N TRP A 49 7.720 7.251 -10.736 1.00 0.00 N ATOM 723 CA TRP A 49 6.313 7.314 -11.153 1.00 0.00 C ATOM 724 C TRP A 49 5.558 8.473 -10.475 1.00 0.00 C ATOM 725 O TRP A 49 4.876 9.260 -11.132 1.00 0.00 O ATOM 726 CB TRP A 49 5.610 5.990 -10.823 1.00 0.00 C ATOM 727 CG TRP A 49 6.238 4.790 -11.471 1.00 0.00 C ATOM 728 CD1 TRP A 49 7.327 4.099 -11.029 1.00 0.00 C ATOM 729 CD2 TRP A 49 5.809 4.136 -12.671 1.00 0.00 C ATOM 730 NE1 TRP A 49 7.605 3.060 -11.879 1.00 0.00 N ATOM 731 CE2 TRP A 49 6.687 3.059 -12.893 1.00 0.00 C ATOM 732 CE3 TRP A 49 4.770 4.355 -13.578 1.00 0.00 C ATOM 733 CZ2 TRP A 49 6.557 2.204 -13.983 1.00 0.00 C ATOM 734 CZ3 TRP A 49 4.640 3.505 -14.659 1.00 0.00 C ATOM 735 CH2 TRP A 49 5.530 2.441 -14.854 1.00 0.00 C ATOM 0 H TRP A 49 7.896 6.605 -9.966 1.00 0.00 H new ATOM 0 HA TRP A 49 6.302 7.489 -12.229 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.611 5.849 -9.742 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.568 6.056 -11.135 1.00 0.00 H new ATOM 0 HD1 TRP A 49 7.889 4.336 -10.138 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.372 2.396 -11.773 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.081 5.174 -13.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 7.242 1.383 -14.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.839 3.663 -15.366 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.402 1.795 -15.710 1.00 0.00 H new ATOM 746 N PHE A 50 5.694 8.576 -9.155 1.00 0.00 N ATOM 747 CA PHE A 50 4.920 9.540 -8.359 1.00 0.00 C ATOM 748 C PHE A 50 5.730 10.821 -8.081 1.00 0.00 C ATOM 749 O PHE A 50 5.906 11.222 -6.930 1.00 0.00 O ATOM 750 CB PHE A 50 4.496 8.881 -7.037 1.00 0.00 C ATOM 751 CG PHE A 50 3.752 7.577 -7.221 1.00 0.00 C ATOM 752 CD1 PHE A 50 2.416 7.569 -7.596 1.00 0.00 C ATOM 753 CD2 PHE A 50 4.393 6.360 -7.028 1.00 0.00 C ATOM 754 CE1 PHE A 50 1.736 6.379 -7.772 1.00 0.00 C ATOM 755 CE2 PHE A 50 3.716 5.168 -7.204 1.00 0.00 C ATOM 756 CZ PHE A 50 2.386 5.177 -7.576 1.00 0.00 C ATOM 0 H PHE A 50 6.335 8.003 -8.607 1.00 0.00 H new ATOM 0 HA PHE A 50 4.036 9.828 -8.928 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.383 8.701 -6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.865 9.574 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.901 8.505 -7.752 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.433 6.345 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.696 6.389 -8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.227 4.229 -7.051 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.856 4.246 -7.713 1.00 0.00 H new ATOM 766 N ARG A 51 6.202 11.465 -9.153 1.00 0.00 N ATOM 767 CA ARG A 51 7.076 12.651 -9.053 1.00 0.00 C ATOM 768 C ARG A 51 6.494 13.744 -8.134 1.00 0.00 C ATOM 769 O ARG A 51 7.232 14.475 -7.469 1.00 0.00 O ATOM 770 CB ARG A 51 7.300 13.236 -10.452 1.00 0.00 C ATOM 771 CG ARG A 51 8.342 14.351 -10.510 1.00 0.00 C ATOM 772 CD ARG A 51 8.262 15.143 -11.816 1.00 0.00 C ATOM 773 NE ARG A 51 8.249 14.282 -12.999 1.00 0.00 N ATOM 774 CZ ARG A 51 7.949 14.696 -14.203 1.00 0.00 C ATOM 775 NH1 ARG A 51 7.688 15.946 -14.428 1.00 0.00 N ATOM 776 NH2 ARG A 51 7.924 13.856 -15.184 1.00 0.00 N ATOM 0 H ARG A 51 5.994 11.186 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 51 8.018 12.322 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.606 12.434 -11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.352 13.621 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.197 15.027 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.339 13.922 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.362 15.757 -11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.112 15.823 -11.876 1.00 0.00 H new ATOM 0 HE ARG A 51 8.489 13.298 -12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.715 16.619 -13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.455 16.257 -15.371 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.138 12.872 -15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.690 14.176 -16.124 1.00 0.00 H new ATOM 790 N GLY A 52 5.172 13.866 -8.131 1.00 0.00 N ATOM 791 CA GLY A 52 4.500 14.859 -7.297 1.00 0.00 C ATOM 792 C GLY A 52 3.016 14.970 -7.621 1.00 0.00 C ATOM 793 O GLY A 52 2.469 16.072 -7.735 1.00 0.00 O ATOM 0 H GLY A 52 4.544 13.292 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.622 14.593 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.975 15.830 -7.437 1.00 0.00 H new ATOM 797 N GLN A 53 2.365 13.818 -7.765 1.00 0.00 N ATOM 798 CA GLN A 53 0.960 13.751 -8.188 1.00 0.00 C ATOM 799 C GLN A 53 0.000 14.058 -7.025 1.00 0.00 C ATOM 800 O GLN A 53 0.145 13.522 -5.929 1.00 0.00 O ATOM 801 CB GLN A 53 0.670 12.355 -8.758 1.00 0.00 C ATOM 802 CG GLN A 53 1.601 11.952 -9.899 1.00 0.00 C ATOM 803 CD GLN A 53 1.434 10.499 -10.320 1.00 0.00 C ATOM 804 OE1 GLN A 53 1.097 9.639 -9.515 1.00 0.00 O ATOM 805 NE2 GLN A 53 1.678 10.211 -11.580 1.00 0.00 N ATOM 0 H GLN A 53 2.790 12.907 -7.594 1.00 0.00 H new ATOM 0 HA GLN A 53 0.796 14.508 -8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.753 11.621 -7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.360 12.324 -9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.414 12.597 -10.758 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.634 12.119 -9.594 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.957 10.949 -12.227 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.588 9.250 -11.910 1.00 0.00 H new ATOM 814 N ALA A 54 -0.991 14.909 -7.272 1.00 0.00 N ATOM 815 CA ALA A 54 -1.921 15.339 -6.219 1.00 0.00 C ATOM 816 C ALA A 54 -3.133 14.403 -6.099 1.00 0.00 C ATOM 817 O ALA A 54 -4.281 14.816 -6.295 1.00 0.00 O ATOM 818 CB ALA A 54 -2.377 16.769 -6.479 1.00 0.00 C ATOM 0 H ALA A 54 -1.175 15.317 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.387 15.296 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.066 17.080 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.511 17.431 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.880 16.821 -7.445 1.00 0.00 H new ATOM 824 N ASN A 55 -2.865 13.140 -5.779 1.00 0.00 N ATOM 825 CA ASN A 55 -3.918 12.123 -5.644 1.00 0.00 C ATOM 826 C ASN A 55 -3.359 10.806 -5.072 1.00 0.00 C ATOM 827 O ASN A 55 -3.891 9.729 -5.335 1.00 0.00 O ATOM 828 CB ASN A 55 -4.577 11.879 -7.015 1.00 0.00 C ATOM 829 CG ASN A 55 -3.559 11.686 -8.130 1.00 0.00 C ATOM 830 OD1 ASN A 55 -2.485 11.132 -7.927 1.00 0.00 O ATOM 831 ND2 ASN A 55 -3.881 12.155 -9.317 1.00 0.00 N ATOM 0 H ASN A 55 -1.923 12.789 -5.606 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.666 12.492 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.215 10.998 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.222 12.723 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.229 12.062 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.782 12.612 -9.458 1.00 0.00 H new ATOM 838 N LEU A 56 -2.312 10.907 -4.249 1.00 0.00 N ATOM 839 CA LEU A 56 -1.581 9.722 -3.773 1.00 0.00 C ATOM 840 C LEU A 56 -1.869 9.395 -2.298 1.00 0.00 C ATOM 841 O LEU A 56 -1.983 10.286 -1.456 1.00 0.00 O ATOM 842 CB LEU A 56 -0.070 9.940 -3.944 1.00 0.00 C ATOM 843 CG LEU A 56 0.361 10.496 -5.306 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.880 10.603 -5.390 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.196 9.646 -6.441 1.00 0.00 C ATOM 0 H LEU A 56 -1.950 11.793 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.924 8.880 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.272 10.623 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.438 8.990 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.051 11.500 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.163 11.000 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.242 11.270 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.322 9.616 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.124 10.061 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.174 8.625 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.285 9.643 -6.393 1.00 0.00 H new ATOM 857 N VAL A 57 -1.962 8.104 -1.998 1.00 0.00 N ATOM 858 CA VAL A 57 -2.108 7.620 -0.620 1.00 0.00 C ATOM 859 C VAL A 57 -1.019 6.588 -0.293 1.00 0.00 C ATOM 860 O VAL A 57 -0.946 5.531 -0.919 1.00 0.00 O ATOM 861 CB VAL A 57 -3.499 6.976 -0.382 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.617 6.427 1.041 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.614 7.979 -0.669 1.00 0.00 C ATOM 0 H VAL A 57 -1.939 7.362 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.007 8.486 0.034 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.604 6.139 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.602 5.982 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.850 5.669 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.482 7.238 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.581 7.507 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.507 8.840 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.551 8.307 -1.707 1.00 0.00 H new ATOM 873 N LEU A 58 -0.170 6.905 0.679 1.00 0.00 N ATOM 874 CA LEU A 58 0.897 5.997 1.108 1.00 0.00 C ATOM 875 C LEU A 58 0.430 5.128 2.285 1.00 0.00 C ATOM 876 O LEU A 58 0.392 5.578 3.433 1.00 0.00 O ATOM 877 CB LEU A 58 2.148 6.804 1.497 1.00 0.00 C ATOM 878 CG LEU A 58 3.330 5.987 2.057 1.00 0.00 C ATOM 879 CD1 LEU A 58 3.845 4.995 1.017 1.00 0.00 C ATOM 880 CD2 LEU A 58 4.452 6.916 2.524 1.00 0.00 C ATOM 0 H LEU A 58 -0.198 7.788 1.189 1.00 0.00 H new ATOM 0 HA LEU A 58 1.147 5.336 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.492 7.349 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.860 7.547 2.241 1.00 0.00 H new ATOM 0 HG LEU A 58 2.976 5.420 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.678 4.430 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.044 4.309 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.181 5.536 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.277 6.321 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.803 7.514 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.076 7.575 3.306 1.00 0.00 H new ATOM 892 N LEU A 59 0.049 3.889 1.989 1.00 0.00 N ATOM 893 CA LEU A 59 -0.406 2.955 3.023 1.00 0.00 C ATOM 894 C LEU A 59 0.766 2.398 3.840 1.00 0.00 C ATOM 895 O LEU A 59 1.563 1.603 3.337 1.00 0.00 O ATOM 896 CB LEU A 59 -1.191 1.794 2.397 1.00 0.00 C ATOM 897 CG LEU A 59 -2.482 2.190 1.666 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.174 0.958 1.080 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.423 2.948 2.602 1.00 0.00 C ATOM 0 H LEU A 59 0.045 3.505 1.044 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.058 3.513 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.540 1.275 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.443 1.082 3.183 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.217 2.853 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.086 1.263 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.506 0.468 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.424 0.265 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.331 3.219 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.680 2.315 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.930 3.852 2.960 1.00 0.00 H new ATOM 911 N ALA A 60 0.859 2.826 5.095 1.00 0.00 N ATOM 912 CA ALA A 60 1.862 2.309 6.027 1.00 0.00 C ATOM 913 C ALA A 60 1.234 1.254 6.947 1.00 0.00 C ATOM 914 O ALA A 60 0.376 1.572 7.774 1.00 0.00 O ATOM 915 CB ALA A 60 2.458 3.450 6.846 1.00 0.00 C ATOM 0 H ALA A 60 0.246 3.537 5.495 1.00 0.00 H new ATOM 0 HA ALA A 60 2.664 1.838 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.203 3.053 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.930 4.170 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.667 3.944 7.411 1.00 0.00 H new ATOM 921 N VAL A 61 1.643 -0.002 6.792 1.00 0.00 N ATOM 922 CA VAL A 61 1.038 -1.108 7.545 1.00 0.00 C ATOM 923 C VAL A 61 2.068 -1.855 8.404 1.00 0.00 C ATOM 924 O VAL A 61 3.189 -2.121 7.964 1.00 0.00 O ATOM 925 CB VAL A 61 0.357 -2.120 6.587 1.00 0.00 C ATOM 926 CG1 VAL A 61 -0.355 -3.228 7.368 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.612 -1.402 5.648 1.00 0.00 C ATOM 0 H VAL A 61 2.388 -0.284 6.155 1.00 0.00 H new ATOM 0 HA VAL A 61 0.294 -0.662 8.205 1.00 0.00 H new ATOM 0 HB VAL A 61 1.134 -2.589 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.823 -3.922 6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.369 -3.764 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.119 -2.788 8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.080 -2.128 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.381 -0.898 6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.067 -0.667 5.056 1.00 0.00 H new ATOM 937 N GLU A 62 1.672 -2.196 9.628 1.00 0.00 N ATOM 938 CA GLU A 62 2.507 -3.003 10.522 1.00 0.00 C ATOM 939 C GLU A 62 2.616 -4.443 9.994 1.00 0.00 C ATOM 940 O GLU A 62 1.662 -5.221 10.033 1.00 0.00 O ATOM 941 CB GLU A 62 1.925 -2.965 11.946 1.00 0.00 C ATOM 942 CG GLU A 62 0.462 -3.396 12.030 1.00 0.00 C ATOM 943 CD GLU A 62 -0.192 -3.039 13.355 1.00 0.00 C ATOM 944 OE1 GLU A 62 -0.028 -3.792 14.336 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.888 -2.001 13.417 1.00 0.00 O ATOM 0 H GLU A 62 0.773 -1.925 10.027 1.00 0.00 H new ATOM 0 HA GLU A 62 3.514 -2.588 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.521 -3.612 12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.018 -1.953 12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.095 -2.927 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.398 -4.474 11.879 1.00 0.00 H new ATOM 952 N ALA A 63 3.794 -4.787 9.491 1.00 0.00 N ATOM 953 CA ALA A 63 3.987 -6.035 8.749 1.00 0.00 C ATOM 954 C ALA A 63 4.283 -7.243 9.649 1.00 0.00 C ATOM 955 O ALA A 63 4.495 -8.347 9.152 1.00 0.00 O ATOM 956 CB ALA A 63 5.110 -5.850 7.743 1.00 0.00 C ATOM 0 H ALA A 63 4.637 -4.219 9.582 1.00 0.00 H new ATOM 0 HA ALA A 63 3.047 -6.255 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.258 -6.776 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.850 -5.050 7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.030 -5.591 8.268 1.00 0.00 H new ATOM 962 N GLU A 64 4.300 -7.043 10.962 1.00 0.00 N ATOM 963 CA GLU A 64 4.602 -8.138 11.897 1.00 0.00 C ATOM 964 C GLU A 64 3.373 -9.043 12.161 1.00 0.00 C ATOM 965 O GLU A 64 3.478 -10.268 12.052 1.00 0.00 O ATOM 966 CB GLU A 64 5.176 -7.585 13.211 1.00 0.00 C ATOM 967 CG GLU A 64 6.390 -6.684 13.003 1.00 0.00 C ATOM 968 CD GLU A 64 7.094 -6.314 14.299 1.00 0.00 C ATOM 969 OE1 GLU A 64 6.460 -5.686 15.175 1.00 0.00 O ATOM 970 OE2 GLU A 64 8.293 -6.633 14.441 1.00 0.00 O ATOM 0 H GLU A 64 4.111 -6.145 11.407 1.00 0.00 H new ATOM 0 HA GLU A 64 5.358 -8.766 11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.400 -7.024 13.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.455 -8.417 13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.098 -7.186 12.344 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.074 -5.772 12.496 1.00 0.00 H new ATOM 977 N PRO A 65 2.185 -8.474 12.501 1.00 0.00 N ATOM 978 CA PRO A 65 0.956 -9.272 12.710 1.00 0.00 C ATOM 979 C PRO A 65 0.635 -10.208 11.527 1.00 0.00 C ATOM 980 O PRO A 65 0.379 -11.401 11.716 1.00 0.00 O ATOM 981 CB PRO A 65 -0.136 -8.205 12.868 1.00 0.00 C ATOM 982 CG PRO A 65 0.587 -7.012 13.394 1.00 0.00 C ATOM 983 CD PRO A 65 1.938 -7.031 12.730 1.00 0.00 C ATOM 0 HA PRO A 65 1.051 -9.939 13.567 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.621 -7.988 11.916 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.916 -8.533 13.556 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.049 -6.093 13.161 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.683 -7.059 14.479 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.935 -6.470 11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.705 -6.587 13.365 1.00 0.00 H new ATOM 991 N LEU A 66 0.667 -9.663 10.311 1.00 0.00 N ATOM 992 CA LEU A 66 0.388 -10.441 9.090 1.00 0.00 C ATOM 993 C LEU A 66 1.674 -11.016 8.461 1.00 0.00 C ATOM 994 O LEU A 66 1.648 -11.549 7.350 1.00 0.00 O ATOM 995 CB LEU A 66 -0.380 -9.563 8.077 1.00 0.00 C ATOM 996 CG LEU A 66 0.212 -8.161 7.795 1.00 0.00 C ATOM 997 CD1 LEU A 66 1.480 -8.239 6.940 1.00 0.00 C ATOM 998 CD2 LEU A 66 -0.828 -7.263 7.127 1.00 0.00 C ATOM 0 H LEU A 66 0.884 -8.681 10.138 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.232 -11.294 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.441 -10.104 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.400 -9.437 8.439 1.00 0.00 H new ATOM 0 HG LEU A 66 0.490 -7.726 8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.863 -7.234 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.234 -8.830 7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.246 -8.709 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.393 -6.282 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.142 -7.710 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.692 -7.156 7.783 1.00 0.00 H new ATOM 1010 N GLY A 67 2.785 -10.932 9.197 1.00 0.00 N ATOM 1011 CA GLY A 67 4.089 -11.345 8.673 1.00 0.00 C ATOM 1012 C GLY A 67 4.156 -12.797 8.203 1.00 0.00 C ATOM 1013 O GLY A 67 4.942 -13.126 7.312 1.00 0.00 O ATOM 0 H GLY A 67 2.808 -10.583 10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.353 -10.695 7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.841 -11.192 9.447 1.00 0.00 H new ATOM 1017 N GLU A 68 3.341 -13.668 8.791 1.00 0.00 N ATOM 1018 CA GLU A 68 3.340 -15.091 8.419 1.00 0.00 C ATOM 1019 C GLU A 68 2.840 -15.298 6.977 1.00 0.00 C ATOM 1020 O GLU A 68 3.188 -16.279 6.318 1.00 0.00 O ATOM 1021 CB GLU A 68 2.478 -15.899 9.402 1.00 0.00 C ATOM 1022 CG GLU A 68 2.647 -17.410 9.269 1.00 0.00 C ATOM 1023 CD GLU A 68 1.880 -18.189 10.327 1.00 0.00 C ATOM 1024 OE1 GLU A 68 2.153 -17.987 11.529 1.00 0.00 O ATOM 1025 OE2 GLU A 68 1.019 -19.022 9.965 1.00 0.00 O ATOM 0 H GLU A 68 2.675 -13.422 9.523 1.00 0.00 H new ATOM 0 HA GLU A 68 4.369 -15.448 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.730 -15.603 10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.430 -15.645 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.310 -17.722 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.706 -17.659 9.338 1.00 0.00 H new ATOM 1032 N ASP A 69 2.014 -14.369 6.499 1.00 0.00 N ATOM 1033 CA ASP A 69 1.501 -14.404 5.123 1.00 0.00 C ATOM 1034 C ASP A 69 2.177 -13.336 4.249 1.00 0.00 C ATOM 1035 O ASP A 69 1.735 -13.060 3.129 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.016 -14.203 5.126 1.00 0.00 C ATOM 1037 CG ASP A 69 -0.750 -15.401 5.695 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -0.580 -15.699 6.894 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -1.483 -16.069 4.941 1.00 0.00 O ATOM 0 H ASP A 69 1.681 -13.575 7.046 1.00 0.00 H new ATOM 0 HA ASP A 69 1.733 -15.381 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.262 -13.317 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.359 -14.019 4.108 1.00 0.00 H new ATOM 1044 N LEU A 70 3.248 -12.743 4.771 1.00 0.00 N ATOM 1045 CA LEU A 70 4.009 -11.723 4.047 1.00 0.00 C ATOM 1046 C LEU A 70 5.421 -12.229 3.713 1.00 0.00 C ATOM 1047 O LEU A 70 6.298 -12.274 4.577 1.00 0.00 O ATOM 1048 CB LEU A 70 4.105 -10.444 4.886 1.00 0.00 C ATOM 1049 CG LEU A 70 4.839 -9.273 4.212 1.00 0.00 C ATOM 1050 CD1 LEU A 70 4.028 -8.720 3.043 1.00 0.00 C ATOM 1051 CD2 LEU A 70 5.148 -8.178 5.223 1.00 0.00 C ATOM 0 H LEU A 70 3.612 -12.952 5.700 1.00 0.00 H new ATOM 0 HA LEU A 70 3.487 -11.507 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.096 -10.120 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.612 -10.679 5.822 1.00 0.00 H new ATOM 0 HG LEU A 70 5.783 -9.648 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.569 -7.893 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.872 -9.506 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.063 -8.366 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.667 -7.359 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.218 -7.809 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.780 -8.581 6.014 1.00 0.00 H new ATOM 1063 N LYS A 71 5.636 -12.616 2.461 1.00 0.00 N ATOM 1064 CA LYS A 71 6.948 -13.092 2.015 1.00 0.00 C ATOM 1065 C LYS A 71 7.819 -11.943 1.484 1.00 0.00 C ATOM 1066 O LYS A 71 7.562 -11.416 0.399 1.00 0.00 O ATOM 1067 CB LYS A 71 6.791 -14.155 0.914 1.00 0.00 C ATOM 1068 CG LYS A 71 6.103 -15.438 1.369 1.00 0.00 C ATOM 1069 CD LYS A 71 6.008 -16.464 0.237 1.00 0.00 C ATOM 1070 CE LYS A 71 7.388 -16.893 -0.271 1.00 0.00 C ATOM 1071 NZ LYS A 71 7.295 -17.848 -1.413 1.00 0.00 N ATOM 0 H LYS A 71 4.921 -12.611 1.734 1.00 0.00 H new ATOM 0 HA LYS A 71 7.442 -13.530 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.222 -13.725 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.778 -14.405 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.654 -15.869 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.102 -15.205 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.463 -17.340 0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.434 -16.041 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.949 -16.012 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.946 -17.356 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.775 -18.736 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.295 -18.042 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.750 -17.432 -2.251 1.00 0.00 H new ATOM 1085 N TRP A 72 8.839 -11.548 2.245 1.00 0.00 N ATOM 1086 CA TRP A 72 9.834 -10.590 1.747 1.00 0.00 C ATOM 1087 C TRP A 72 10.681 -11.253 0.659 1.00 0.00 C ATOM 1088 O TRP A 72 11.759 -11.792 0.914 1.00 0.00 O ATOM 1089 CB TRP A 72 10.714 -10.054 2.881 1.00 0.00 C ATOM 1090 CG TRP A 72 10.036 -9.004 3.710 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.173 -9.200 4.748 1.00 0.00 C ATOM 1092 CD2 TRP A 72 10.164 -7.586 3.559 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.757 -7.993 5.250 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.355 -6.986 4.540 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.890 -6.767 2.691 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.249 -5.605 4.675 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.785 -5.396 2.826 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.970 -4.826 3.812 1.00 0.00 C ATOM 0 H TRP A 72 9.000 -11.871 3.199 1.00 0.00 H new ATOM 0 HA TRP A 72 9.311 -9.735 1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 72 11.009 -10.882 3.526 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.628 -9.639 2.457 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.862 -10.165 5.120 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.108 -7.866 6.026 1.00 0.00 H new ATOM 0 HE3 TRP A 72 11.522 -7.198 1.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.620 -5.164 5.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 11.341 -4.753 2.160 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.910 -3.751 3.893 1.00 0.00 H new ATOM 1109 N GLU A 73 10.155 -11.217 -0.554 1.00 0.00 N ATOM 1110 CA GLU A 73 10.665 -12.015 -1.663 1.00 0.00 C ATOM 1111 C GLU A 73 11.133 -11.125 -2.820 1.00 0.00 C ATOM 1112 O GLU A 73 10.357 -10.339 -3.373 1.00 0.00 O ATOM 1113 CB GLU A 73 9.543 -12.963 -2.112 1.00 0.00 C ATOM 1114 CG GLU A 73 9.892 -13.893 -3.267 1.00 0.00 C ATOM 1115 CD GLU A 73 8.728 -14.810 -3.615 1.00 0.00 C ATOM 1116 OE1 GLU A 73 7.700 -14.303 -4.121 1.00 0.00 O ATOM 1117 OE2 GLU A 73 8.817 -16.028 -3.365 1.00 0.00 O ATOM 0 H GLU A 73 9.358 -10.631 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 73 11.535 -12.588 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.241 -13.570 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.679 -12.364 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.165 -13.302 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.763 -14.493 -3.002 1.00 0.00 H new ATOM 1124 N ALA A 74 12.408 -11.237 -3.175 1.00 0.00 N ATOM 1125 CA ALA A 74 12.973 -10.450 -4.272 1.00 0.00 C ATOM 1126 C ALA A 74 12.468 -10.945 -5.635 1.00 0.00 C ATOM 1127 O ALA A 74 13.066 -11.830 -6.251 1.00 0.00 O ATOM 1128 CB ALA A 74 14.498 -10.474 -4.215 1.00 0.00 C ATOM 0 H ALA A 74 13.072 -11.864 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 74 12.639 -9.419 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.902 -9.884 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.833 -10.053 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.849 -11.502 -4.299 1.00 0.00 H new ATOM 1134 N SER A 75 11.344 -10.393 -6.088 1.00 0.00 N ATOM 1135 CA SER A 75 10.784 -10.751 -7.396 1.00 0.00 C ATOM 1136 C SER A 75 11.591 -10.103 -8.526 1.00 0.00 C ATOM 1137 O SER A 75 11.195 -9.075 -9.082 1.00 0.00 O ATOM 1138 CB SER A 75 9.305 -10.345 -7.487 1.00 0.00 C ATOM 1139 OG SER A 75 9.122 -8.975 -7.163 1.00 0.00 O ATOM 0 H SER A 75 10.803 -9.698 -5.573 1.00 0.00 H new ATOM 0 HA SER A 75 10.847 -11.834 -7.506 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.936 -10.534 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.715 -10.962 -6.810 1.00 0.00 H new ATOM 0 HG SER A 75 9.719 -8.426 -7.714 1.00 0.00 H new ATOM 1145 N ARG A 76 12.738 -10.713 -8.833 1.00 0.00 N ATOM 1146 CA ARG A 76 13.679 -10.202 -9.841 1.00 0.00 C ATOM 1147 C ARG A 76 14.267 -8.830 -9.457 1.00 0.00 C ATOM 1148 O ARG A 76 13.943 -8.264 -8.410 1.00 0.00 O ATOM 1149 CB ARG A 76 13.020 -10.130 -11.227 1.00 0.00 C ATOM 1150 CG ARG A 76 12.476 -11.469 -11.719 1.00 0.00 C ATOM 1151 CD ARG A 76 12.262 -11.471 -13.226 1.00 0.00 C ATOM 1152 NE ARG A 76 13.502 -11.175 -13.939 1.00 0.00 N ATOM 1153 CZ ARG A 76 14.497 -12.014 -14.065 1.00 0.00 C ATOM 1154 NH1 ARG A 76 14.413 -13.220 -13.601 1.00 0.00 N ATOM 1155 NH2 ARG A 76 15.576 -11.645 -14.665 1.00 0.00 N ATOM 0 H ARG A 76 13.044 -11.579 -8.390 1.00 0.00 H new ATOM 0 HA ARG A 76 14.506 -10.911 -9.880 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.205 -9.407 -11.195 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.749 -9.757 -11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.170 -12.265 -11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.533 -11.685 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.883 -12.443 -13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.504 -10.733 -13.489 1.00 0.00 H new ATOM 0 HE ARG A 76 13.598 -10.254 -14.366 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.562 -13.527 -13.130 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.198 -13.863 -13.707 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.653 -10.700 -15.041 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.353 -12.298 -14.764 1.00 0.00 H new ATOM 1169 N GLY A 77 15.153 -8.314 -10.307 1.00 0.00 N ATOM 1170 CA GLY A 77 15.781 -7.022 -10.054 1.00 0.00 C ATOM 1171 C GLY A 77 16.880 -7.091 -9.000 1.00 0.00 C ATOM 1172 O GLY A 77 18.060 -6.904 -9.307 1.00 0.00 O ATOM 0 H GLY A 77 15.450 -8.768 -11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.201 -6.640 -10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.020 -6.311 -9.732 1.00 0.00 H new ATOM 1176 N GLY A 78 16.492 -7.370 -7.760 1.00 0.00 N ATOM 1177 CA GLY A 78 17.448 -7.437 -6.659 1.00 0.00 C ATOM 1178 C GLY A 78 16.872 -6.919 -5.343 1.00 0.00 C ATOM 1179 O GLY A 78 17.389 -7.216 -4.262 1.00 0.00 O ATOM 0 H GLY A 78 15.525 -7.553 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.772 -8.469 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.333 -6.856 -6.917 1.00 0.00 H new ATOM 1183 N ALA A 79 15.805 -6.131 -5.439 1.00 0.00 N ATOM 1184 CA ALA A 79 15.130 -5.587 -4.259 1.00 0.00 C ATOM 1185 C ALA A 79 14.120 -6.583 -3.662 1.00 0.00 C ATOM 1186 O ALA A 79 13.273 -7.131 -4.366 1.00 0.00 O ATOM 1187 CB ALA A 79 14.436 -4.280 -4.618 1.00 0.00 C ATOM 0 H ALA A 79 15.385 -5.852 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 79 15.888 -5.400 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.935 -3.880 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.175 -3.562 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.700 -4.462 -5.402 1.00 0.00 H new ATOM 1193 N ARG A 80 14.222 -6.815 -2.355 1.00 0.00 N ATOM 1194 CA ARG A 80 13.280 -7.683 -1.635 1.00 0.00 C ATOM 1195 C ARG A 80 11.896 -7.028 -1.508 1.00 0.00 C ATOM 1196 O ARG A 80 11.703 -6.119 -0.701 1.00 0.00 O ATOM 1197 CB ARG A 80 13.836 -8.003 -0.241 1.00 0.00 C ATOM 1198 CG ARG A 80 15.023 -8.961 -0.258 1.00 0.00 C ATOM 1199 CD ARG A 80 15.763 -8.980 1.078 1.00 0.00 C ATOM 1200 NE ARG A 80 14.857 -9.031 2.227 1.00 0.00 N ATOM 1201 CZ ARG A 80 14.443 -10.131 2.797 1.00 0.00 C ATOM 1202 NH1 ARG A 80 14.738 -11.289 2.293 1.00 0.00 N ATOM 1203 NH2 ARG A 80 13.715 -10.065 3.863 1.00 0.00 N ATOM 0 H ARG A 80 14.951 -6.413 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 80 13.163 -8.604 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.138 -7.074 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 80 13.041 -8.435 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.674 -9.966 -0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.713 -8.670 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.429 -9.843 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.389 -8.091 1.154 1.00 0.00 H new ATOM 0 HE ARG A 80 14.526 -8.145 2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.299 -11.347 1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.409 -12.141 2.747 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.466 -9.157 4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.389 -10.921 4.312 1.00 0.00 H new ATOM 1217 N PHE A 81 10.939 -7.489 -2.309 1.00 0.00 N ATOM 1218 CA PHE A 81 9.580 -6.937 -2.288 1.00 0.00 C ATOM 1219 C PHE A 81 8.657 -7.751 -1.364 1.00 0.00 C ATOM 1220 O PHE A 81 8.500 -8.964 -1.536 1.00 0.00 O ATOM 1221 CB PHE A 81 8.996 -6.898 -3.708 1.00 0.00 C ATOM 1222 CG PHE A 81 9.755 -5.992 -4.647 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.673 -4.612 -4.515 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.552 -6.518 -5.654 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.369 -3.778 -5.371 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.249 -5.688 -6.512 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.158 -4.317 -6.369 1.00 0.00 C ATOM 0 H PHE A 81 11.076 -8.243 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 81 9.642 -5.921 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.989 -7.908 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.959 -6.568 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.059 -4.185 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.629 -7.589 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.296 -2.706 -5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.864 -6.111 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.703 -3.667 -7.037 1.00 0.00 H new ATOM 1237 N PRO A 82 8.035 -7.095 -0.366 1.00 0.00 N ATOM 1238 CA PRO A 82 7.093 -7.758 0.551 1.00 0.00 C ATOM 1239 C PRO A 82 5.798 -8.205 -0.159 1.00 0.00 C ATOM 1240 O PRO A 82 4.974 -7.380 -0.562 1.00 0.00 O ATOM 1241 CB PRO A 82 6.805 -6.677 1.608 1.00 0.00 C ATOM 1242 CG PRO A 82 7.092 -5.382 0.924 1.00 0.00 C ATOM 1243 CD PRO A 82 8.208 -5.663 -0.046 1.00 0.00 C ATOM 0 HA PRO A 82 7.504 -8.675 0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.770 -6.723 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.436 -6.807 2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.208 -5.011 0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.384 -4.617 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.131 -5.040 -0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.184 -5.466 0.397 1.00 0.00 H new ATOM 1251 N HIS A 83 5.639 -9.518 -0.328 1.00 0.00 N ATOM 1252 CA HIS A 83 4.466 -10.089 -1.000 1.00 0.00 C ATOM 1253 C HIS A 83 3.441 -10.613 0.024 1.00 0.00 C ATOM 1254 O HIS A 83 3.660 -11.642 0.662 1.00 0.00 O ATOM 1255 CB HIS A 83 4.896 -11.229 -1.938 1.00 0.00 C ATOM 1256 CG HIS A 83 5.904 -10.826 -2.977 1.00 0.00 C ATOM 1257 ND1 HIS A 83 6.709 -11.733 -3.633 1.00 0.00 N ATOM 1258 CD2 HIS A 83 6.221 -9.612 -3.493 1.00 0.00 C ATOM 1259 CE1 HIS A 83 7.471 -11.101 -4.500 1.00 0.00 C ATOM 1260 NE2 HIS A 83 7.198 -9.816 -4.436 1.00 0.00 N ATOM 0 H HIS A 83 6.313 -10.213 -0.007 1.00 0.00 H new ATOM 0 HA HIS A 83 3.994 -9.299 -1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.312 -12.039 -1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.013 -11.624 -2.439 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.713 -12.740 -3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.787 -8.663 -3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.198 -11.560 -5.154 1.00 0.00 H new ATOM 1269 N LEU A 84 2.335 -9.887 0.181 1.00 0.00 N ATOM 1270 CA LEU A 84 1.258 -10.277 1.102 1.00 0.00 C ATOM 1271 C LEU A 84 0.170 -11.092 0.372 1.00 0.00 C ATOM 1272 O LEU A 84 -0.201 -10.782 -0.760 1.00 0.00 O ATOM 1273 CB LEU A 84 0.649 -9.019 1.747 1.00 0.00 C ATOM 1274 CG LEU A 84 -0.521 -9.257 2.719 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.118 -10.196 3.857 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.033 -7.929 3.276 1.00 0.00 C ATOM 0 H LEU A 84 2.157 -9.017 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 84 1.679 -10.912 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.438 -8.491 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.306 -8.357 0.952 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.326 -9.736 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.967 -10.343 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.190 -11.157 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.711 -9.758 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.860 -8.116 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.228 -7.423 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.377 -7.299 2.456 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.326 -12.145 1.022 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.346 -13.024 0.422 1.00 0.00 C ATOM 1290 C TYR A 85 -2.679 -12.980 1.194 1.00 0.00 C ATOM 1291 O TYR A 85 -3.441 -13.947 1.195 1.00 0.00 O ATOM 1292 CB TYR A 85 -0.805 -14.462 0.358 1.00 0.00 C ATOM 1293 CG TYR A 85 0.398 -14.607 -0.558 1.00 0.00 C ATOM 1294 CD1 TYR A 85 1.681 -14.304 -0.110 1.00 0.00 C ATOM 1295 CD2 TYR A 85 0.250 -15.036 -1.873 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.775 -14.420 -0.946 1.00 0.00 C ATOM 1297 CE2 TYR A 85 1.340 -15.159 -2.711 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.599 -14.849 -2.245 1.00 0.00 C ATOM 1299 OH TYR A 85 3.684 -14.960 -3.086 1.00 0.00 O ATOM 0 H TYR A 85 -0.042 -12.415 1.964 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.554 -12.663 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.530 -14.785 1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.598 -15.127 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.823 -13.973 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.735 -15.277 -2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.763 -14.176 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.206 -15.497 -3.728 1.00 0.00 H new ATOM 0 HH TYR A 85 3.386 -15.276 -3.964 1.00 0.00 H new ATOM 1309 N ARG A 86 -2.971 -11.838 1.816 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.200 -11.659 2.608 1.00 0.00 C ATOM 1311 C ARG A 86 -4.842 -10.284 2.359 1.00 0.00 C ATOM 1312 O ARG A 86 -4.141 -9.282 2.226 1.00 0.00 O ATOM 1313 CB ARG A 86 -3.902 -11.827 4.106 1.00 0.00 C ATOM 1314 CG ARG A 86 -3.541 -13.255 4.498 1.00 0.00 C ATOM 1315 CD ARG A 86 -4.690 -14.222 4.222 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.263 -15.614 4.298 1.00 0.00 N ATOM 1317 CZ ARG A 86 -5.060 -16.636 4.137 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -6.324 -16.456 3.930 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -4.590 -17.838 4.192 1.00 0.00 N ATOM 0 H ARG A 86 -2.371 -11.013 1.789 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.906 -12.426 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.081 -11.165 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.773 -11.511 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.657 -13.572 3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.283 -13.288 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.490 -14.049 4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.102 -14.023 3.233 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.279 -15.802 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.705 -15.511 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.940 -17.259 3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.596 -17.990 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.213 -18.636 4.066 1.00 0.00 H new ATOM 1333 N PRO A 87 -6.190 -10.223 2.295 1.00 0.00 N ATOM 1334 CA PRO A 87 -6.923 -8.959 2.105 1.00 0.00 C ATOM 1335 C PRO A 87 -6.745 -7.997 3.292 1.00 0.00 C ATOM 1336 O PRO A 87 -7.102 -8.321 4.425 1.00 0.00 O ATOM 1337 CB PRO A 87 -8.395 -9.402 1.984 1.00 0.00 C ATOM 1338 CG PRO A 87 -8.344 -10.870 1.706 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.107 -11.374 2.395 1.00 0.00 C ATOM 0 HA PRO A 87 -6.562 -8.409 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.945 -9.194 2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.902 -8.867 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.235 -11.371 2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.301 -11.064 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.303 -11.647 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.702 -12.259 1.904 1.00 0.00 H new ATOM 1347 N LEU A 88 -6.206 -6.815 3.026 1.00 0.00 N ATOM 1348 CA LEU A 88 -5.933 -5.834 4.078 1.00 0.00 C ATOM 1349 C LEU A 88 -7.198 -5.045 4.456 1.00 0.00 C ATOM 1350 O LEU A 88 -7.708 -4.244 3.668 1.00 0.00 O ATOM 1351 CB LEU A 88 -4.831 -4.872 3.613 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.422 -3.785 4.622 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -3.849 -4.406 5.898 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.421 -2.820 3.989 1.00 0.00 C ATOM 0 H LEU A 88 -5.947 -6.508 2.089 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.600 -6.372 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.947 -5.457 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.164 -4.384 2.697 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.314 -3.223 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.568 -3.615 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.601 -5.046 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.969 -5.000 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.142 -2.057 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.532 -3.369 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.874 -2.344 3.119 1.00 0.00 H new ATOM 1366 N LEU A 89 -7.711 -5.279 5.660 1.00 0.00 N ATOM 1367 CA LEU A 89 -8.865 -4.525 6.161 1.00 0.00 C ATOM 1368 C LEU A 89 -8.479 -3.062 6.418 1.00 0.00 C ATOM 1369 O LEU A 89 -7.420 -2.784 6.981 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.411 -5.153 7.460 1.00 0.00 C ATOM 1371 CG LEU A 89 -10.233 -6.445 7.299 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -11.491 -6.184 6.483 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -9.400 -7.557 6.666 1.00 0.00 C ATOM 0 H LEU A 89 -7.351 -5.980 6.307 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.645 -4.562 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.569 -5.363 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.032 -4.412 7.963 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.530 -6.777 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.057 -7.110 6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.104 -5.437 6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.214 -5.818 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.009 -8.456 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.057 -7.239 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.538 -7.771 7.298 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.334 -2.129 6.010 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.068 -0.702 6.232 1.00 0.00 C ATOM 1387 C VAL A 90 -8.897 -0.401 7.733 1.00 0.00 C ATOM 1388 O VAL A 90 -8.001 0.342 8.138 1.00 0.00 O ATOM 1389 CB VAL A 90 -10.197 0.178 5.633 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.947 1.662 5.907 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.330 -0.079 4.131 1.00 0.00 C ATOM 0 H VAL A 90 -10.211 -2.327 5.528 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.136 -0.458 5.721 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.134 -0.096 6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.755 2.253 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.908 1.832 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.999 1.960 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.126 0.545 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.390 0.163 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.570 -1.129 3.961 1.00 0.00 H new ATOM 1401 N SER A 91 -9.740 -1.020 8.554 1.00 0.00 N ATOM 1402 CA SER A 91 -9.648 -0.879 10.018 1.00 0.00 C ATOM 1403 C SER A 91 -8.414 -1.605 10.587 1.00 0.00 C ATOM 1404 O SER A 91 -8.072 -1.449 11.762 1.00 0.00 O ATOM 1405 CB SER A 91 -10.923 -1.422 10.680 1.00 0.00 C ATOM 1406 OG SER A 91 -10.882 -1.286 12.096 1.00 0.00 O ATOM 0 H SER A 91 -10.497 -1.626 8.238 1.00 0.00 H new ATOM 0 HA SER A 91 -9.542 0.183 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.790 -0.890 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.049 -2.473 10.419 1.00 0.00 H new ATOM 0 HG SER A 91 -9.951 -1.317 12.401 1.00 0.00 H new ATOM 1412 N GLU A 92 -7.757 -2.399 9.747 1.00 0.00 N ATOM 1413 CA GLU A 92 -6.553 -3.141 10.138 1.00 0.00 C ATOM 1414 C GLU A 92 -5.272 -2.377 9.748 1.00 0.00 C ATOM 1415 O GLU A 92 -4.180 -2.675 10.240 1.00 0.00 O ATOM 1416 CB GLU A 92 -6.585 -4.534 9.484 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.357 -5.398 9.744 1.00 0.00 C ATOM 1418 CD GLU A 92 -5.517 -6.814 9.207 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -5.548 -6.992 7.969 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -5.632 -7.754 10.025 1.00 0.00 O ATOM 0 H GLU A 92 -8.039 -2.549 8.778 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.541 -3.252 11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.467 -5.066 9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.702 -4.410 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.486 -4.934 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.166 -5.439 10.816 1.00 0.00 H new ATOM 1427 N VAL A 93 -5.415 -1.374 8.879 1.00 0.00 N ATOM 1428 CA VAL A 93 -4.276 -0.552 8.450 1.00 0.00 C ATOM 1429 C VAL A 93 -3.715 0.280 9.619 1.00 0.00 C ATOM 1430 O VAL A 93 -4.459 0.723 10.497 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.674 0.396 7.285 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -3.476 1.221 6.809 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -5.276 -0.395 6.127 1.00 0.00 C ATOM 0 H VAL A 93 -6.306 -1.110 8.458 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.503 -1.236 8.101 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.429 1.087 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.785 1.875 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.099 1.824 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.689 0.552 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.548 0.288 5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.545 -1.116 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.166 -0.923 6.471 1.00 0.00 H new ATOM 1443 N THR A 94 -2.398 0.474 9.636 1.00 0.00 N ATOM 1444 CA THR A 94 -1.747 1.261 10.690 1.00 0.00 C ATOM 1445 C THR A 94 -1.877 2.768 10.422 1.00 0.00 C ATOM 1446 O THR A 94 -2.293 3.533 11.295 1.00 0.00 O ATOM 1447 CB THR A 94 -0.248 0.895 10.818 1.00 0.00 C ATOM 1448 OG1 THR A 94 -0.101 -0.524 10.980 1.00 0.00 O ATOM 1449 CG2 THR A 94 0.398 1.609 12.002 1.00 0.00 C ATOM 0 H THR A 94 -1.759 0.099 8.935 1.00 0.00 H new ATOM 0 HA THR A 94 -2.254 1.021 11.624 1.00 0.00 H new ATOM 0 HB THR A 94 0.253 1.217 9.905 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.427 -0.788 11.866 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.450 1.331 12.065 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.315 2.687 11.866 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.109 1.319 12.922 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.519 3.188 9.207 1.00 0.00 N ATOM 1458 CA ARG A 95 -1.594 4.602 8.821 1.00 0.00 C ATOM 1459 C ARG A 95 -1.857 4.769 7.319 1.00 0.00 C ATOM 1460 O ARG A 95 -1.355 4.005 6.493 1.00 0.00 O ATOM 1461 CB ARG A 95 -0.289 5.325 9.182 1.00 0.00 C ATOM 1462 CG ARG A 95 -0.294 6.826 8.888 1.00 0.00 C ATOM 1463 CD ARG A 95 -1.216 7.586 9.836 1.00 0.00 C ATOM 1464 NE ARG A 95 -0.750 7.506 11.217 1.00 0.00 N ATOM 1465 CZ ARG A 95 -1.504 7.209 12.238 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -2.754 6.911 12.076 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -0.995 7.195 13.424 1.00 0.00 N ATOM 0 H ARG A 95 -1.174 2.571 8.472 1.00 0.00 H new ATOM 0 HA ARG A 95 -2.427 5.040 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.087 5.176 10.243 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.532 4.863 8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.720 7.217 8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.612 6.994 7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.272 8.631 9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.225 7.179 9.768 1.00 0.00 H new ATOM 0 HE ARG A 95 0.236 7.696 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.160 6.907 11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.332 6.681 12.884 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.008 7.416 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.580 6.963 14.227 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.634 5.786 6.978 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.857 6.163 5.578 1.00 0.00 C ATOM 1483 C GLU A 96 -2.302 7.574 5.316 1.00 0.00 C ATOM 1484 O GLU A 96 -2.929 8.583 5.650 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.352 6.075 5.201 1.00 0.00 C ATOM 1486 CG GLU A 96 -5.287 6.930 6.058 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.695 7.007 5.484 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.902 7.758 4.503 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.599 6.315 5.997 1.00 0.00 O ATOM 0 H GLU A 96 -3.126 6.372 7.652 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.323 5.455 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.466 6.372 4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.668 5.034 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.331 6.517 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.877 7.936 6.144 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.099 7.641 4.751 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.427 8.922 4.519 1.00 0.00 C ATOM 1498 C ALA A 97 -0.793 9.516 3.152 1.00 0.00 C ATOM 1499 O ALA A 97 -0.112 9.281 2.151 1.00 0.00 O ATOM 1500 CB ALA A 97 1.084 8.759 4.655 1.00 0.00 C ATOM 0 H ALA A 97 -0.568 6.826 4.445 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.773 9.623 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.571 9.719 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.323 8.408 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.439 8.033 3.923 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.884 10.270 3.119 1.00 0.00 N ATOM 1507 CA ASP A 98 -2.335 10.931 1.892 1.00 0.00 C ATOM 1508 C ASP A 98 -1.360 12.043 1.464 1.00 0.00 C ATOM 1509 O ASP A 98 -1.323 13.123 2.058 1.00 0.00 O ATOM 1510 CB ASP A 98 -3.762 11.479 2.068 1.00 0.00 C ATOM 1511 CG ASP A 98 -3.963 12.206 3.389 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -3.928 11.543 4.448 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -4.173 13.438 3.377 1.00 0.00 O ATOM 0 H ASP A 98 -2.478 10.442 3.930 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.351 10.189 1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.987 12.160 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.472 10.655 2.002 1.00 0.00 H new ATOM 1518 N LEU A 99 -0.562 11.746 0.439 1.00 0.00 N ATOM 1519 CA LEU A 99 0.430 12.681 -0.107 1.00 0.00 C ATOM 1520 C LEU A 99 1.476 13.097 0.949 1.00 0.00 C ATOM 1521 O LEU A 99 1.216 13.945 1.807 1.00 0.00 O ATOM 1522 CB LEU A 99 -0.260 13.924 -0.699 1.00 0.00 C ATOM 1523 CG LEU A 99 0.633 14.808 -1.583 1.00 0.00 C ATOM 1524 CD1 LEU A 99 1.085 14.043 -2.824 1.00 0.00 C ATOM 1525 CD2 LEU A 99 -0.089 16.095 -1.975 1.00 0.00 C ATOM 0 H LEU A 99 -0.583 10.846 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 99 0.959 12.159 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.118 13.598 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.647 14.530 0.120 1.00 0.00 H new ATOM 0 HG LEU A 99 1.517 15.081 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.716 14.686 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.650 13.161 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.212 13.735 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.565 16.703 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.995 15.850 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.353 16.653 -1.076 1.00 0.00 H new ATOM 1537 N ASP A 100 2.660 12.495 0.875 1.00 0.00 N ATOM 1538 CA ASP A 100 3.754 12.794 1.809 1.00 0.00 C ATOM 1539 C ASP A 100 4.974 13.333 1.038 1.00 0.00 C ATOM 1540 O ASP A 100 5.819 12.565 0.584 1.00 0.00 O ATOM 1541 CB ASP A 100 4.117 11.522 2.600 1.00 0.00 C ATOM 1542 CG ASP A 100 5.009 11.792 3.805 1.00 0.00 C ATOM 1543 OD1 ASP A 100 6.248 11.797 3.656 1.00 0.00 O ATOM 1544 OD2 ASP A 100 4.468 11.984 4.916 1.00 0.00 O ATOM 0 H ASP A 100 2.892 11.791 0.174 1.00 0.00 H new ATOM 0 HA ASP A 100 3.434 13.562 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.200 11.039 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.621 10.821 1.935 1.00 0.00 H new ATOM 1549 N LEU A 101 5.040 14.655 0.859 1.00 0.00 N ATOM 1550 CA LEU A 101 6.103 15.281 0.047 1.00 0.00 C ATOM 1551 C LEU A 101 6.831 16.402 0.811 1.00 0.00 C ATOM 1552 O LEU A 101 6.347 16.896 1.833 1.00 0.00 O ATOM 1553 CB LEU A 101 5.510 15.866 -1.247 1.00 0.00 C ATOM 1554 CG LEU A 101 4.746 14.881 -2.150 1.00 0.00 C ATOM 1555 CD1 LEU A 101 4.218 15.596 -3.390 1.00 0.00 C ATOM 1556 CD2 LEU A 101 5.625 13.695 -2.550 1.00 0.00 C ATOM 0 H LEU A 101 4.375 15.316 1.261 1.00 0.00 H new ATOM 0 HA LEU A 101 6.825 14.499 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.835 16.678 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.321 16.305 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 101 3.901 14.493 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.680 14.886 -4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.543 16.397 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.053 16.017 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.055 13.019 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.498 14.056 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.949 13.164 -1.655 1.00 0.00 H new ATOM 1568 N ASP A 102 8.001 16.801 0.306 1.00 0.00 N ATOM 1569 CA ASP A 102 8.746 17.940 0.860 1.00 0.00 C ATOM 1570 C ASP A 102 8.767 19.127 -0.135 1.00 0.00 C ATOM 1571 O ASP A 102 8.067 19.105 -1.147 1.00 0.00 O ATOM 1572 CB ASP A 102 10.170 17.488 1.202 1.00 0.00 C ATOM 1573 CG ASP A 102 10.835 18.377 2.234 1.00 0.00 C ATOM 1574 OD1 ASP A 102 10.459 18.296 3.422 1.00 0.00 O ATOM 1575 OD2 ASP A 102 11.708 19.177 1.857 1.00 0.00 O ATOM 0 H ASP A 102 8.456 16.352 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 102 8.250 18.286 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.142 16.464 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.772 17.480 0.293 1.00 0.00 H new ATOM 1580 N ALA A 103 9.589 20.144 0.146 1.00 0.00 N ATOM 1581 CA ALA A 103 9.647 21.370 -0.670 1.00 0.00 C ATOM 1582 C ALA A 103 9.996 21.097 -2.148 1.00 0.00 C ATOM 1583 O ALA A 103 9.629 21.870 -3.035 1.00 0.00 O ATOM 1584 CB ALA A 103 10.653 22.345 -0.066 1.00 0.00 C ATOM 0 H ALA A 103 10.230 20.145 0.939 1.00 0.00 H new ATOM 0 HA ALA A 103 8.648 21.806 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.692 23.250 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.347 22.601 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.639 21.882 -0.041 1.00 0.00 H new ATOM 1590 N ASP A 104 10.692 19.992 -2.414 1.00 0.00 N ATOM 1591 CA ASP A 104 11.100 19.638 -3.779 1.00 0.00 C ATOM 1592 C ASP A 104 10.023 18.791 -4.469 1.00 0.00 C ATOM 1593 O ASP A 104 10.181 18.369 -5.615 1.00 0.00 O ATOM 1594 CB ASP A 104 12.420 18.861 -3.748 1.00 0.00 C ATOM 1595 CG ASP A 104 13.516 19.613 -3.019 1.00 0.00 C ATOM 1596 OD1 ASP A 104 14.185 20.462 -3.647 1.00 0.00 O ATOM 1597 OD2 ASP A 104 13.718 19.354 -1.816 1.00 0.00 O ATOM 0 H ASP A 104 10.987 19.323 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 104 11.234 20.561 -4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.260 17.898 -3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.741 18.655 -4.769 1.00 0.00 H new ATOM 1602 N GLY A 105 8.931 18.542 -3.755 1.00 0.00 N ATOM 1603 CA GLY A 105 7.894 17.660 -4.260 1.00 0.00 C ATOM 1604 C GLY A 105 8.278 16.188 -4.168 1.00 0.00 C ATOM 1605 O GLY A 105 7.556 15.317 -4.648 1.00 0.00 O ATOM 0 H GLY A 105 8.745 18.936 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.975 17.827 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.683 17.912 -5.299 1.00 0.00 H new ATOM 1609 N VAL A 106 9.426 15.918 -3.548 1.00 0.00 N ATOM 1610 CA VAL A 106 9.911 14.551 -3.361 1.00 0.00 C ATOM 1611 C VAL A 106 9.382 13.968 -2.042 1.00 0.00 C ATOM 1612 O VAL A 106 9.381 14.653 -1.015 1.00 0.00 O ATOM 1613 CB VAL A 106 11.466 14.510 -3.353 1.00 0.00 C ATOM 1614 CG1 VAL A 106 11.988 13.090 -3.103 1.00 0.00 C ATOM 1615 CG2 VAL A 106 12.022 15.071 -4.661 1.00 0.00 C ATOM 0 H VAL A 106 10.042 16.634 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 106 9.544 13.952 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 106 11.814 15.137 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.078 13.098 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.628 12.735 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.629 12.427 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 106 13.111 15.035 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.656 14.475 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.696 16.104 -4.782 1.00 0.00 H new ATOM 1625 N PRO A 107 8.907 12.707 -2.047 1.00 0.00 N ATOM 1626 CA PRO A 107 8.469 12.028 -0.819 1.00 0.00 C ATOM 1627 C PRO A 107 9.604 11.929 0.206 1.00 0.00 C ATOM 1628 O PRO A 107 10.440 11.022 0.148 1.00 0.00 O ATOM 1629 CB PRO A 107 8.035 10.633 -1.302 1.00 0.00 C ATOM 1630 CG PRO A 107 8.695 10.470 -2.632 1.00 0.00 C ATOM 1631 CD PRO A 107 8.752 11.846 -3.233 1.00 0.00 C ATOM 0 HA PRO A 107 7.669 12.567 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 107 8.351 9.857 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.951 10.563 -1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 107 9.695 10.049 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 107 8.130 9.789 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.588 11.953 -3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.846 12.083 -3.791 1.00 0.00 H new ATOM 1639 N GLN A 108 9.639 12.874 1.137 1.00 0.00 N ATOM 1640 CA GLN A 108 10.727 12.968 2.112 1.00 0.00 C ATOM 1641 C GLN A 108 10.474 12.031 3.298 1.00 0.00 C ATOM 1642 O GLN A 108 10.698 12.380 4.460 1.00 0.00 O ATOM 1643 CB GLN A 108 10.865 14.425 2.575 1.00 0.00 C ATOM 1644 CG GLN A 108 12.289 14.843 2.915 1.00 0.00 C ATOM 1645 CD GLN A 108 13.273 14.531 1.796 1.00 0.00 C ATOM 1646 OE1 GLN A 108 13.894 13.473 1.775 1.00 0.00 O ATOM 1647 NE2 GLN A 108 13.397 15.429 0.838 1.00 0.00 N ATOM 0 H GLN A 108 8.923 13.593 1.240 1.00 0.00 H new ATOM 0 HA GLN A 108 11.661 12.656 1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.484 15.080 1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.235 14.576 3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 108 12.310 15.912 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 108 12.606 14.334 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.867 16.300 0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.023 15.253 0.052 1.00 0.00 H new ATOM 1656 N LEU A 109 10.058 10.811 2.975 1.00 0.00 N ATOM 1657 CA LEU A 109 9.702 9.800 3.973 1.00 0.00 C ATOM 1658 C LEU A 109 10.899 9.349 4.834 1.00 0.00 C ATOM 1659 O LEU A 109 10.770 8.427 5.634 1.00 0.00 O ATOM 1660 CB LEU A 109 9.011 8.599 3.292 1.00 0.00 C ATOM 1661 CG LEU A 109 9.613 8.122 1.955 1.00 0.00 C ATOM 1662 CD1 LEU A 109 11.032 7.607 2.144 1.00 0.00 C ATOM 1663 CD2 LEU A 109 8.727 7.051 1.320 1.00 0.00 C ATOM 0 H LEU A 109 9.957 10.491 2.012 1.00 0.00 H new ATOM 0 HA LEU A 109 9.001 10.266 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.021 7.761 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.966 8.859 3.122 1.00 0.00 H new ATOM 0 HG LEU A 109 9.657 8.977 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 109 11.430 7.278 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.659 8.405 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 109 11.025 6.769 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.168 6.726 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.646 6.199 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.735 7.463 1.134 1.00 0.00 H new ATOM 1675 N GLY A 110 12.055 9.992 4.666 1.00 0.00 N ATOM 1676 CA GLY A 110 13.202 9.725 5.533 1.00 0.00 C ATOM 1677 C GLY A 110 12.849 9.803 7.019 1.00 0.00 C ATOM 1678 O GLY A 110 13.377 9.046 7.830 1.00 0.00 O ATOM 0 H GLY A 110 12.221 10.694 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.599 8.735 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.993 10.442 5.313 1.00 0.00 H new ATOM 1682 N ASP A 111 11.939 10.713 7.375 1.00 0.00 N ATOM 1683 CA ASP A 111 11.426 10.799 8.750 1.00 0.00 C ATOM 1684 C ASP A 111 10.632 9.534 9.131 1.00 0.00 C ATOM 1685 O ASP A 111 10.546 9.167 10.305 1.00 0.00 O ATOM 1686 CB ASP A 111 10.547 12.041 8.911 1.00 0.00 C ATOM 1687 CG ASP A 111 11.334 13.322 8.711 1.00 0.00 C ATOM 1688 OD1 ASP A 111 11.927 13.819 9.691 1.00 0.00 O ATOM 1689 OD2 ASP A 111 11.375 13.830 7.573 1.00 0.00 O ATOM 0 H ASP A 111 11.541 11.400 6.734 1.00 0.00 H new ATOM 0 HA ASP A 111 12.280 10.877 9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.729 12.002 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.099 12.042 9.905 1.00 0.00 H new ATOM 1694 N HIS A 112 10.047 8.880 8.128 1.00 0.00 N ATOM 1695 CA HIS A 112 9.369 7.590 8.321 1.00 0.00 C ATOM 1696 C HIS A 112 10.391 6.437 8.363 1.00 0.00 C ATOM 1697 O HIS A 112 10.131 5.380 8.940 1.00 0.00 O ATOM 1698 CB HIS A 112 8.361 7.339 7.184 1.00 0.00 C ATOM 1699 CG HIS A 112 7.253 8.349 7.105 1.00 0.00 C ATOM 1700 ND1 HIS A 112 6.441 8.669 8.169 1.00 0.00 N ATOM 1701 CD2 HIS A 112 6.831 9.120 6.074 1.00 0.00 C ATOM 1702 CE1 HIS A 112 5.571 9.588 7.798 1.00 0.00 C ATOM 1703 NE2 HIS A 112 5.786 9.881 6.533 1.00 0.00 N ATOM 0 H HIS A 112 10.027 9.221 7.167 1.00 0.00 H new ATOM 0 HA HIS A 112 8.838 7.628 9.272 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.897 7.330 6.235 1.00 0.00 H new ATOM 0 HB3 HIS A 112 7.925 6.348 7.313 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.242 9.133 5.075 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.810 10.026 8.427 1.00 0.00 H new ATOM 0 HE2 HIS A 112 5.262 10.562 5.984 1.00 0.00 H new ATOM 1712 N LEU A 113 11.555 6.659 7.751 1.00 0.00 N ATOM 1713 CA LEU A 113 12.597 5.628 7.635 1.00 0.00 C ATOM 1714 C LEU A 113 13.772 5.894 8.592 1.00 0.00 C ATOM 1715 O LEU A 113 13.631 6.610 9.586 1.00 0.00 O ATOM 1716 CB LEU A 113 13.119 5.579 6.194 1.00 0.00 C ATOM 1717 CG LEU A 113 12.057 5.441 5.098 1.00 0.00 C ATOM 1718 CD1 LEU A 113 12.721 5.158 3.753 1.00 0.00 C ATOM 1719 CD2 LEU A 113 11.040 4.358 5.453 1.00 0.00 C ATOM 0 H LEU A 113 11.805 7.551 7.323 1.00 0.00 H new ATOM 0 HA LEU A 113 12.148 4.672 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.691 6.487 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.812 4.742 6.108 1.00 0.00 H new ATOM 0 HG LEU A 113 11.515 6.384 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.956 5.062 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.391 5.979 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.290 4.231 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.298 4.281 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.551 3.402 5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.544 4.617 6.389 1.00 0.00 H new ATOM 1731 N ALA A 114 14.933 5.304 8.289 1.00 0.00 N ATOM 1732 CA ALA A 114 16.142 5.516 9.094 1.00 0.00 C ATOM 1733 C ALA A 114 17.428 5.508 8.242 1.00 0.00 C ATOM 1734 O ALA A 114 18.415 6.163 8.595 1.00 0.00 O ATOM 1735 CB ALA A 114 16.232 4.459 10.191 1.00 0.00 C ATOM 0 H ALA A 114 15.062 4.677 7.495 1.00 0.00 H new ATOM 0 HA ALA A 114 16.061 6.506 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 114 17.132 4.625 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.356 4.528 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.272 3.468 9.739 1.00 0.00 H new ATOM 1741 N LEU A 115 17.416 4.776 7.124 1.00 0.00 N ATOM 1742 CA LEU A 115 18.616 4.604 6.288 1.00 0.00 C ATOM 1743 C LEU A 115 18.917 5.833 5.408 1.00 0.00 C ATOM 1744 O LEU A 115 18.010 6.485 4.893 1.00 0.00 O ATOM 1745 CB LEU A 115 18.471 3.359 5.398 1.00 0.00 C ATOM 1746 CG LEU A 115 18.299 2.027 6.151 1.00 0.00 C ATOM 1747 CD1 LEU A 115 18.152 0.865 5.169 1.00 0.00 C ATOM 1748 CD2 LEU A 115 19.471 1.788 7.103 1.00 0.00 C ATOM 0 H LEU A 115 16.590 4.291 6.774 1.00 0.00 H new ATOM 0 HA LEU A 115 19.455 4.481 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.612 3.500 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.351 3.285 4.759 1.00 0.00 H new ATOM 0 HG LEU A 115 17.387 2.087 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 115 18.032 -0.066 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 115 17.277 1.029 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 115 19.042 0.803 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.329 0.842 7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 115 20.400 1.753 6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.521 2.599 7.830 1.00 0.00 H new ATOM 1760 N GLU A 116 20.214 6.118 5.257 1.00 0.00 N ATOM 1761 CA GLU A 116 20.727 7.199 4.396 1.00 0.00 C ATOM 1762 C GLU A 116 20.274 8.610 4.827 1.00 0.00 C ATOM 1763 O GLU A 116 19.106 8.983 4.705 1.00 0.00 O ATOM 1764 CB GLU A 116 20.374 6.963 2.916 1.00 0.00 C ATOM 1765 CG GLU A 116 20.906 8.061 1.992 1.00 0.00 C ATOM 1766 CD GLU A 116 20.776 7.733 0.512 1.00 0.00 C ATOM 1767 OE1 GLU A 116 19.683 7.937 -0.057 1.00 0.00 O ATOM 1768 OE2 GLU A 116 21.782 7.304 -0.097 1.00 0.00 O ATOM 0 H GLU A 116 20.951 5.599 5.734 1.00 0.00 H new ATOM 0 HA GLU A 116 21.810 7.165 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 116 20.780 6.002 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 116 19.291 6.901 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 116 20.370 8.988 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 116 21.956 8.241 2.224 1.00 0.00 H new TER 1775 GLU A 116