USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 825 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 3 THR OG1 : rot -2:sc= -1.04! USER MOD Set 1.2: A 45 THR OG1 : rot -89:sc= -4.49! USER MOD Set 2.1: A 36 LYS NZ :NH3+ -161:sc= -1.89! (180deg=-1.98!) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.00211 K(o=-1.9,f=-5.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.37 USER MOD Single : A 14 SER OG : rot -24:sc= 0.426 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 13:sc= -3.47! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= -1.01! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 31 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.445) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.00863 X(o=0.0086,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= 0.0118 (180deg=-0.0564) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -72:sc= -4.64! USER MOD Single : A 58 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-5.8!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.0406 (180deg=-0.301) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.939 (180deg=-1.53!) USER MOD Single : A 77 LYS NZ :NH3+ 141:sc= 1.13 (180deg=-0.0037) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -3.43! C(o=-5.3!,f=-3.4!) USER MOD Single : A 87 GLN : amide:sc= -2.12! C(o=-2.1!,f=-5.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.713 -18.120 7.222 1.00 0.00 N ATOM 2 CA MET A 1 -6.003 -17.846 6.525 1.00 0.00 C ATOM 3 C MET A 1 -5.862 -16.641 5.599 1.00 0.00 C ATOM 4 O MET A 1 -6.336 -15.567 5.908 1.00 0.00 O ATOM 5 CB MET A 1 -7.001 -17.516 7.636 1.00 0.00 C ATOM 6 CG MET A 1 -8.417 -17.853 7.169 1.00 0.00 C ATOM 7 SD MET A 1 -9.388 -18.462 8.570 1.00 0.00 S ATOM 8 CE MET A 1 -9.465 -20.195 8.058 1.00 0.00 C ATOM 0 H1 MET A 1 -4.825 -18.943 7.848 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.974 -18.319 6.518 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.440 -17.290 7.786 1.00 0.00 H new ATOM 0 HA MET A 1 -6.318 -18.695 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.759 -18.082 8.536 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.935 -16.460 7.896 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.890 -16.969 6.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.382 -18.607 6.382 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.031 -20.767 8.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.956 -20.266 7.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.455 -20.598 7.984 1.00 0.00 H new ATOM 20 N LYS A 2 -5.227 -16.786 4.467 1.00 0.00 N ATOM 21 CA LYS A 2 -5.108 -15.603 3.578 1.00 0.00 C ATOM 22 C LYS A 2 -6.500 -15.144 3.184 1.00 0.00 C ATOM 23 O LYS A 2 -7.084 -15.592 2.218 1.00 0.00 O ATOM 24 CB LYS A 2 -4.287 -16.031 2.370 1.00 0.00 C ATOM 25 CG LYS A 2 -5.012 -17.149 1.617 1.00 0.00 C ATOM 26 CD LYS A 2 -3.999 -18.206 1.173 1.00 0.00 C ATOM 27 CE LYS A 2 -3.981 -19.353 2.186 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.567 -19.437 2.645 1.00 0.00 N ATOM 0 H LYS A 2 -4.798 -17.647 4.129 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.613 -14.765 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.127 -15.180 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.304 -16.375 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.769 -17.602 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.531 -16.741 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.261 -18.584 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.007 -17.763 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.656 -19.155 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.304 -20.288 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.473 -20.202 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.949 -19.633 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.289 -18.535 3.081 1.00 0.00 H new ATOM 42 N THR A 3 -7.039 -14.272 3.975 1.00 0.00 N ATOM 43 CA THR A 3 -8.419 -13.766 3.734 1.00 0.00 C ATOM 44 C THR A 3 -8.460 -12.250 3.876 1.00 0.00 C ATOM 45 O THR A 3 -9.319 -11.576 3.348 1.00 0.00 O ATOM 46 CB THR A 3 -9.217 -14.410 4.855 1.00 0.00 C ATOM 47 OG1 THR A 3 -10.599 -14.122 4.700 1.00 0.00 O ATOM 48 CG2 THR A 3 -8.719 -13.868 6.193 1.00 0.00 C ATOM 0 H THR A 3 -6.578 -13.878 4.795 1.00 0.00 H new ATOM 0 HA THR A 3 -8.795 -13.999 2.738 1.00 0.00 H new ATOM 0 HB THR A 3 -9.083 -15.491 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.727 -13.542 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.286 -14.325 7.004 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.662 -14.105 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.853 -12.787 6.220 1.00 0.00 H new ATOM 56 N ALA A 4 -7.542 -11.725 4.614 1.00 0.00 N ATOM 57 CA ALA A 4 -7.499 -10.256 4.842 1.00 0.00 C ATOM 58 C ALA A 4 -6.317 -9.914 5.752 1.00 0.00 C ATOM 59 O ALA A 4 -5.740 -8.856 5.663 1.00 0.00 O ATOM 60 CB ALA A 4 -8.828 -9.952 5.514 1.00 0.00 C ATOM 0 H ALA A 4 -6.804 -12.253 5.080 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.364 -9.674 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.893 -8.885 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.645 -10.242 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.900 -10.511 6.447 1.00 0.00 H new ATOM 66 N TYR A 5 -5.956 -10.839 6.600 1.00 0.00 N ATOM 67 CA TYR A 5 -4.793 -10.683 7.528 1.00 0.00 C ATOM 68 C TYR A 5 -3.555 -10.062 6.835 1.00 0.00 C ATOM 69 O TYR A 5 -3.642 -9.132 6.065 1.00 0.00 O ATOM 70 CB TYR A 5 -4.484 -12.145 7.876 1.00 0.00 C ATOM 71 CG TYR A 5 -3.801 -12.809 6.681 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.065 -12.364 5.369 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.883 -13.846 6.885 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.425 -12.950 4.280 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.235 -14.435 5.787 1.00 0.00 C ATOM 76 CZ TYR A 5 -2.507 -13.988 4.486 1.00 0.00 C ATOM 77 OH TYR A 5 -1.869 -14.570 3.410 1.00 0.00 O ATOM 0 H TYR A 5 -6.439 -11.733 6.692 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.016 -10.027 8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.839 -12.195 8.753 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.403 -12.675 8.126 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.770 -11.562 5.208 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.673 -14.193 7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.636 -12.605 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.526 -15.234 5.945 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.265 -15.273 3.729 1.00 0.00 H new ATOM 87 N ASP A 6 -2.398 -10.619 7.115 1.00 0.00 N ATOM 88 CA ASP A 6 -1.117 -10.160 6.502 1.00 0.00 C ATOM 89 C ASP A 6 -1.337 -9.430 5.177 1.00 0.00 C ATOM 90 O ASP A 6 -1.011 -8.269 5.026 1.00 0.00 O ATOM 91 CB ASP A 6 -0.382 -11.472 6.233 1.00 0.00 C ATOM 92 CG ASP A 6 0.171 -12.030 7.545 1.00 0.00 C ATOM 93 OD1 ASP A 6 1.038 -11.392 8.119 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.283 -13.086 7.953 1.00 0.00 O ATOM 0 H ASP A 6 -2.291 -11.398 7.765 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.586 -9.459 7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.060 -12.193 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.431 -11.307 5.526 1.00 0.00 H new ATOM 99 N VAL A 7 -1.863 -10.121 4.209 1.00 0.00 N ATOM 100 CA VAL A 7 -2.085 -9.505 2.875 1.00 0.00 C ATOM 101 C VAL A 7 -2.975 -8.253 2.981 1.00 0.00 C ATOM 102 O VAL A 7 -2.569 -7.235 3.506 1.00 0.00 O ATOM 103 CB VAL A 7 -2.761 -10.598 2.040 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.959 -10.103 0.610 1.00 0.00 C ATOM 105 CG2 VAL A 7 -1.886 -11.852 2.000 1.00 0.00 C ATOM 0 H VAL A 7 -2.152 -11.096 4.286 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.152 -9.168 2.423 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.723 -10.835 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.440 -10.882 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.588 -9.213 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.991 -9.860 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.378 -12.620 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.922 -11.609 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.734 -12.222 3.014 1.00 0.00 H new ATOM 115 N ILE A 8 -4.174 -8.309 2.466 1.00 0.00 N ATOM 116 CA ILE A 8 -5.067 -7.117 2.506 1.00 0.00 C ATOM 117 C ILE A 8 -5.854 -7.060 3.822 1.00 0.00 C ATOM 118 O ILE A 8 -6.852 -7.732 3.986 1.00 0.00 O ATOM 119 CB ILE A 8 -6.012 -7.330 1.323 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.220 -7.712 0.070 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.777 -6.042 1.038 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.060 -8.670 -0.772 1.00 0.00 C ATOM 0 H ILE A 8 -4.574 -9.133 2.018 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.514 -6.179 2.447 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.705 -8.133 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.973 -6.820 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.277 -8.182 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.449 -6.197 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.357 -5.761 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.072 -5.246 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.505 -8.949 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.284 -9.564 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.991 -8.181 -1.059 1.00 0.00 H new ATOM 134 N LEU A 9 -5.419 -6.253 4.755 1.00 0.00 N ATOM 135 CA LEU A 9 -6.155 -6.156 6.059 1.00 0.00 C ATOM 136 C LEU A 9 -7.208 -5.038 6.017 1.00 0.00 C ATOM 137 O LEU A 9 -8.363 -5.286 5.731 1.00 0.00 O ATOM 138 CB LEU A 9 -5.096 -5.880 7.143 1.00 0.00 C ATOM 139 CG LEU A 9 -4.012 -4.927 6.628 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.602 -3.970 7.748 1.00 0.00 C ATOM 141 CD2 LEU A 9 -2.792 -5.736 6.180 1.00 0.00 C ATOM 0 H LEU A 9 -4.593 -5.660 4.675 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.695 -7.079 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.575 -5.449 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.640 -6.819 7.457 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.401 -4.357 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.831 -3.292 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.469 -3.394 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.213 -4.542 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.021 -5.059 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.403 -6.306 7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.082 -6.421 5.383 1.00 0.00 H new ATOM 153 N ALA A 10 -6.835 -3.818 6.309 1.00 0.00 N ATOM 154 CA ALA A 10 -7.834 -2.709 6.288 1.00 0.00 C ATOM 155 C ALA A 10 -7.597 -1.793 5.083 1.00 0.00 C ATOM 156 O ALA A 10 -6.469 -1.508 4.732 1.00 0.00 O ATOM 157 CB ALA A 10 -7.603 -1.945 7.592 1.00 0.00 C ATOM 0 H ALA A 10 -5.885 -3.543 6.560 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.855 -3.080 6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.301 -1.110 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.761 -2.613 8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.581 -1.566 7.615 1.00 0.00 H new ATOM 163 N PRO A 11 -8.678 -1.364 4.490 1.00 0.00 N ATOM 164 CA PRO A 11 -8.599 -0.467 3.310 1.00 0.00 C ATOM 165 C PRO A 11 -8.172 0.940 3.737 1.00 0.00 C ATOM 166 O PRO A 11 -8.111 1.250 4.911 1.00 0.00 O ATOM 167 CB PRO A 11 -10.026 -0.461 2.768 1.00 0.00 C ATOM 168 CG PRO A 11 -10.888 -0.802 3.942 1.00 0.00 C ATOM 169 CD PRO A 11 -10.065 -1.669 4.860 1.00 0.00 C ATOM 0 HA PRO A 11 -7.869 -0.795 2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.288 0.514 2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.146 -1.189 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.214 0.102 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.787 -1.327 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.259 -1.437 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.292 -2.726 4.720 1.00 0.00 H new ATOM 177 N VAL A 12 -7.871 1.794 2.796 1.00 0.00 N ATOM 178 CA VAL A 12 -7.444 3.178 3.157 1.00 0.00 C ATOM 179 C VAL A 12 -8.466 4.201 2.652 1.00 0.00 C ATOM 180 O VAL A 12 -8.892 4.156 1.515 1.00 0.00 O ATOM 181 CB VAL A 12 -6.090 3.384 2.463 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.267 2.094 2.530 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.310 3.767 0.996 1.00 0.00 C ATOM 0 H VAL A 12 -7.902 1.595 1.796 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.369 3.310 4.236 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.552 4.184 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.308 2.248 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.099 1.824 3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.808 1.291 2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.346 3.912 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.856 2.971 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.885 4.691 0.944 1.00 0.00 H new ATOM 193 N LEU A 13 -8.852 5.129 3.480 1.00 0.00 N ATOM 194 CA LEU A 13 -9.832 6.157 3.032 1.00 0.00 C ATOM 195 C LEU A 13 -9.116 7.476 2.735 1.00 0.00 C ATOM 196 O LEU A 13 -8.601 8.126 3.622 1.00 0.00 O ATOM 197 CB LEU A 13 -10.802 6.321 4.199 1.00 0.00 C ATOM 198 CG LEU A 13 -11.673 5.069 4.327 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.221 4.683 2.953 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.830 3.918 4.881 1.00 0.00 C ATOM 0 H LEU A 13 -8.533 5.221 4.445 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.347 5.864 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.249 6.487 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.430 7.198 4.042 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.503 5.272 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.841 3.791 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.821 5.502 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.392 4.480 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.449 3.025 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.000 3.716 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.440 4.192 5.861 1.00 0.00 H new ATOM 212 N SER A 14 -9.081 7.876 1.494 1.00 0.00 N ATOM 213 CA SER A 14 -8.398 9.154 1.142 1.00 0.00 C ATOM 214 C SER A 14 -8.901 9.661 -0.212 1.00 0.00 C ATOM 215 O SER A 14 -9.205 8.889 -1.100 1.00 0.00 O ATOM 216 CB SER A 14 -6.914 8.802 1.064 1.00 0.00 C ATOM 217 OG SER A 14 -6.500 8.239 2.304 1.00 0.00 O ATOM 0 H SER A 14 -9.495 7.374 0.709 1.00 0.00 H new ATOM 0 HA SER A 14 -8.591 9.942 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.738 8.095 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.328 9.694 0.842 1.00 0.00 H new ATOM 0 HG SER A 14 -7.095 8.548 3.019 1.00 0.00 H new ATOM 223 N GLU A 15 -8.992 10.951 -0.376 1.00 0.00 N ATOM 224 CA GLU A 15 -9.476 11.504 -1.673 1.00 0.00 C ATOM 225 C GLU A 15 -8.843 10.743 -2.840 1.00 0.00 C ATOM 226 O GLU A 15 -9.526 10.236 -3.707 1.00 0.00 O ATOM 227 CB GLU A 15 -9.025 12.966 -1.675 1.00 0.00 C ATOM 228 CG GLU A 15 -9.848 13.757 -0.657 1.00 0.00 C ATOM 229 CD GLU A 15 -9.599 15.253 -0.851 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.159 15.813 -1.779 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.852 15.816 -0.067 1.00 0.00 O ATOM 0 H GLU A 15 -8.753 11.646 0.331 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.556 11.413 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.965 13.031 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.149 13.394 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.908 13.535 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.575 13.461 0.356 1.00 0.00 H new ATOM 238 N LYS A 16 -7.540 10.659 -2.868 1.00 0.00 N ATOM 239 CA LYS A 16 -6.864 9.932 -3.976 1.00 0.00 C ATOM 240 C LYS A 16 -7.415 8.508 -4.087 1.00 0.00 C ATOM 241 O LYS A 16 -7.421 7.915 -5.148 1.00 0.00 O ATOM 242 CB LYS A 16 -5.385 9.908 -3.591 1.00 0.00 C ATOM 243 CG LYS A 16 -4.626 8.975 -4.538 1.00 0.00 C ATOM 244 CD LYS A 16 -4.534 9.618 -5.924 1.00 0.00 C ATOM 245 CE LYS A 16 -3.363 10.602 -5.954 1.00 0.00 C ATOM 246 NZ LYS A 16 -3.706 11.574 -7.030 1.00 0.00 N ATOM 0 H LYS A 16 -6.916 11.063 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.024 10.410 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.968 10.914 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.272 9.569 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.627 8.779 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.136 8.014 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.396 8.849 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.464 10.136 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.243 11.102 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.424 10.092 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.949 12.283 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.807 11.070 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.601 12.049 -6.796 1.00 0.00 H new ATOM 260 N ALA A 17 -7.878 7.955 -3.000 1.00 0.00 N ATOM 261 CA ALA A 17 -8.429 6.570 -3.042 1.00 0.00 C ATOM 262 C ALA A 17 -9.912 6.604 -3.416 1.00 0.00 C ATOM 263 O ALA A 17 -10.338 5.973 -4.363 1.00 0.00 O ATOM 264 CB ALA A 17 -8.250 6.026 -1.624 1.00 0.00 C ATOM 0 H ALA A 17 -7.899 8.402 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.926 5.949 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.633 5.007 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.191 6.029 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.798 6.654 -0.921 1.00 0.00 H new ATOM 270 N TYR A 18 -10.702 7.337 -2.680 1.00 0.00 N ATOM 271 CA TYR A 18 -12.157 7.409 -2.992 1.00 0.00 C ATOM 272 C TYR A 18 -12.364 7.812 -4.452 1.00 0.00 C ATOM 273 O TYR A 18 -13.366 7.488 -5.060 1.00 0.00 O ATOM 274 CB TYR A 18 -12.711 8.479 -2.051 1.00 0.00 C ATOM 275 CG TYR A 18 -13.245 7.814 -0.809 1.00 0.00 C ATOM 276 CD1 TYR A 18 -14.035 6.666 -0.919 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.947 8.342 0.452 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.529 6.041 0.233 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.440 7.720 1.606 1.00 0.00 C ATOM 280 CZ TYR A 18 -14.232 6.570 1.496 1.00 0.00 C ATOM 281 OH TYR A 18 -14.719 5.956 2.632 1.00 0.00 O ATOM 0 H TYR A 18 -10.403 7.889 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.658 6.451 -2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.929 9.191 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.502 9.042 -2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.265 6.261 -1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.337 9.229 0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.138 5.153 0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.210 8.127 2.580 1.00 0.00 H new ATOM 0 HH TYR A 18 -15.068 5.070 2.401 1.00 0.00 H new ATOM 291 N ALA A 19 -11.423 8.510 -5.022 1.00 0.00 N ATOM 292 CA ALA A 19 -11.566 8.924 -6.445 1.00 0.00 C ATOM 293 C ALA A 19 -10.967 7.852 -7.358 1.00 0.00 C ATOM 294 O ALA A 19 -11.217 7.817 -8.546 1.00 0.00 O ATOM 295 CB ALA A 19 -10.785 10.232 -6.563 1.00 0.00 C ATOM 0 H ALA A 19 -10.562 8.811 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.608 9.052 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.844 10.600 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.211 10.973 -5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.742 10.058 -6.300 1.00 0.00 H new ATOM 301 N GLY A 20 -10.185 6.968 -6.802 1.00 0.00 N ATOM 302 CA GLY A 20 -9.573 5.882 -7.617 1.00 0.00 C ATOM 303 C GLY A 20 -10.366 4.603 -7.383 1.00 0.00 C ATOM 304 O GLY A 20 -10.577 3.811 -8.280 1.00 0.00 O ATOM 0 H GLY A 20 -9.942 6.952 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.585 6.148 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.530 5.739 -7.336 1.00 0.00 H new ATOM 308 N PHE A 21 -10.822 4.407 -6.179 1.00 0.00 N ATOM 309 CA PHE A 21 -11.622 3.194 -5.869 1.00 0.00 C ATOM 310 C PHE A 21 -13.045 3.393 -6.395 1.00 0.00 C ATOM 311 O PHE A 21 -13.769 2.451 -6.648 1.00 0.00 O ATOM 312 CB PHE A 21 -11.576 3.092 -4.332 1.00 0.00 C ATOM 313 CG PHE A 21 -12.961 2.900 -3.749 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.754 1.821 -4.158 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.447 3.804 -2.799 1.00 0.00 C ATOM 316 CE1 PHE A 21 -15.034 1.649 -3.616 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.725 3.633 -2.258 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.519 2.556 -2.666 1.00 0.00 C ATOM 0 H PHE A 21 -10.673 5.039 -5.392 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.247 2.281 -6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.938 2.258 -4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.128 3.996 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.379 1.122 -4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.834 4.635 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.647 0.817 -3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.099 4.332 -1.525 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.506 2.424 -2.248 1.00 0.00 H new ATOM 328 N ALA A 22 -13.442 4.621 -6.558 1.00 0.00 N ATOM 329 CA ALA A 22 -14.806 4.910 -7.060 1.00 0.00 C ATOM 330 C ALA A 22 -15.087 4.104 -8.333 1.00 0.00 C ATOM 331 O ALA A 22 -16.223 3.892 -8.708 1.00 0.00 O ATOM 332 CB ALA A 22 -14.793 6.406 -7.359 1.00 0.00 C ATOM 0 H ALA A 22 -12.872 5.444 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.582 4.640 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.769 6.710 -7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.571 6.958 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.030 6.621 -8.107 1.00 0.00 H new ATOM 338 N GLU A 23 -14.058 3.656 -9.000 1.00 0.00 N ATOM 339 CA GLU A 23 -14.262 2.869 -10.250 1.00 0.00 C ATOM 340 C GLU A 23 -14.234 1.368 -9.950 1.00 0.00 C ATOM 341 O GLU A 23 -14.135 0.551 -10.844 1.00 0.00 O ATOM 342 CB GLU A 23 -13.085 3.250 -11.147 1.00 0.00 C ATOM 343 CG GLU A 23 -13.552 3.314 -12.604 1.00 0.00 C ATOM 344 CD GLU A 23 -13.104 2.049 -13.340 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.905 1.851 -13.459 1.00 0.00 O ATOM 346 OE2 GLU A 23 -13.965 1.302 -13.772 1.00 0.00 O ATOM 0 H GLU A 23 -13.084 3.801 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.225 3.081 -10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.679 4.214 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.283 2.519 -11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.637 3.406 -12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.138 4.197 -13.091 1.00 0.00 H new ATOM 353 N GLY A 24 -14.320 0.995 -8.703 1.00 0.00 N ATOM 354 CA GLY A 24 -14.297 -0.446 -8.356 1.00 0.00 C ATOM 355 C GLY A 24 -12.895 -0.843 -7.881 1.00 0.00 C ATOM 356 O GLY A 24 -12.648 -1.979 -7.528 1.00 0.00 O ATOM 0 H GLY A 24 -14.405 1.631 -7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.028 -0.653 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.580 -1.043 -9.223 1.00 0.00 H new ATOM 360 N LYS A 25 -11.979 0.086 -7.863 1.00 0.00 N ATOM 361 CA LYS A 25 -10.595 -0.233 -7.403 1.00 0.00 C ATOM 362 C LYS A 25 -10.544 -0.186 -5.872 1.00 0.00 C ATOM 363 O LYS A 25 -11.259 0.568 -5.246 1.00 0.00 O ATOM 364 CB LYS A 25 -9.717 0.863 -8.014 1.00 0.00 C ATOM 365 CG LYS A 25 -9.707 0.715 -9.538 1.00 0.00 C ATOM 366 CD LYS A 25 -8.433 1.346 -10.105 1.00 0.00 C ATOM 367 CE LYS A 25 -7.909 0.490 -11.260 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.485 0.892 -11.422 1.00 0.00 N ATOM 0 H LYS A 25 -12.128 1.054 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.263 -1.226 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.097 1.846 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.702 0.791 -7.624 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.756 -0.339 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.586 1.197 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.640 2.358 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.676 1.426 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.996 -0.573 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.476 0.670 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.056 0.347 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.434 1.907 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.968 0.703 -10.539 1.00 0.00 H new ATOM 382 N TYR A 26 -9.729 -0.997 -5.255 1.00 0.00 N ATOM 383 CA TYR A 26 -9.682 -0.982 -3.765 1.00 0.00 C ATOM 384 C TYR A 26 -8.259 -0.825 -3.234 1.00 0.00 C ATOM 385 O TYR A 26 -7.494 -1.766 -3.186 1.00 0.00 O ATOM 386 CB TYR A 26 -10.274 -2.321 -3.336 1.00 0.00 C ATOM 387 CG TYR A 26 -11.677 -2.435 -3.880 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.518 -1.316 -3.881 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.136 -3.655 -4.386 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.818 -1.418 -4.387 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.436 -3.758 -4.892 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.278 -2.640 -4.893 1.00 0.00 C ATOM 393 OH TYR A 26 -15.561 -2.741 -5.392 1.00 0.00 O ATOM 0 H TYR A 26 -9.102 -1.661 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.236 -0.133 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.659 -3.141 -3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.284 -2.397 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.163 -0.374 -3.491 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.487 -4.518 -4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.467 -0.555 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.790 -4.701 -5.282 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.645 -3.566 -5.914 1.00 0.00 H new ATOM 403 N THR A 27 -7.922 0.354 -2.794 1.00 0.00 N ATOM 404 CA THR A 27 -6.576 0.591 -2.220 1.00 0.00 C ATOM 405 C THR A 27 -6.548 -0.012 -0.818 1.00 0.00 C ATOM 406 O THR A 27 -7.404 0.261 -0.001 1.00 0.00 O ATOM 407 CB THR A 27 -6.428 2.112 -2.167 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.965 2.678 -3.356 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.950 2.476 -2.050 1.00 0.00 C ATOM 0 H THR A 27 -8.532 1.171 -2.809 1.00 0.00 H new ATOM 0 HA THR A 27 -5.767 0.142 -2.797 1.00 0.00 H new ATOM 0 HB THR A 27 -6.965 2.502 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.873 3.653 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.844 3.560 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.539 2.039 -1.140 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.410 2.089 -2.914 1.00 0.00 H new ATOM 417 N PHE A 28 -5.605 -0.861 -0.539 1.00 0.00 N ATOM 418 CA PHE A 28 -5.579 -1.506 0.800 1.00 0.00 C ATOM 419 C PHE A 28 -4.204 -1.413 1.455 1.00 0.00 C ATOM 420 O PHE A 28 -3.210 -1.158 0.813 1.00 0.00 O ATOM 421 CB PHE A 28 -5.928 -2.966 0.522 1.00 0.00 C ATOM 422 CG PHE A 28 -7.228 -3.297 1.202 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.273 -3.407 2.594 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.388 -3.488 0.443 1.00 0.00 C ATOM 425 CE1 PHE A 28 -8.482 -3.710 3.231 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.597 -3.790 1.079 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.643 -3.900 2.475 1.00 0.00 C ATOM 0 H PHE A 28 -4.855 -1.136 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.269 -1.020 1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.011 -3.135 -0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.135 -3.619 0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.376 -3.259 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.350 -3.402 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.518 -3.797 4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.493 -3.938 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.576 -4.132 2.968 1.00 0.00 H new ATOM 437 N TRP A 29 -4.152 -1.671 2.733 1.00 0.00 N ATOM 438 CA TRP A 29 -2.860 -1.664 3.462 1.00 0.00 C ATOM 439 C TRP A 29 -2.469 -3.118 3.619 1.00 0.00 C ATOM 440 O TRP A 29 -3.240 -3.916 4.114 1.00 0.00 O ATOM 441 CB TRP A 29 -3.154 -1.035 4.826 1.00 0.00 C ATOM 442 CG TRP A 29 -3.047 0.454 4.736 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.052 1.319 5.001 1.00 0.00 C ATOM 444 CD2 TRP A 29 -1.892 1.267 4.373 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.591 2.610 4.821 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.266 2.631 4.433 1.00 0.00 C ATOM 447 CE3 TRP A 29 -0.571 0.957 4.000 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.362 3.651 4.135 1.00 0.00 C ATOM 449 CZ3 TRP A 29 0.341 1.982 3.699 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.053 3.326 3.766 1.00 0.00 C ATOM 0 H TRP A 29 -4.965 -1.889 3.309 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.062 -1.114 2.963 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.153 -1.317 5.158 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.453 -1.414 5.569 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.052 1.046 5.304 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.160 3.445 4.958 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.257 -0.075 3.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.671 4.684 4.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.353 1.733 3.414 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.653 4.109 3.533 1.00 0.00 H new ATOM 461 N VAL A 30 -1.328 -3.508 3.160 1.00 0.00 N ATOM 462 CA VAL A 30 -1.002 -4.943 3.258 1.00 0.00 C ATOM 463 C VAL A 30 0.487 -5.176 3.494 1.00 0.00 C ATOM 464 O VAL A 30 1.320 -4.334 3.231 1.00 0.00 O ATOM 465 CB VAL A 30 -1.465 -5.498 1.913 1.00 0.00 C ATOM 466 CG1 VAL A 30 -1.064 -4.550 0.779 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.838 -6.848 1.669 1.00 0.00 C ATOM 0 H VAL A 30 -0.620 -2.913 2.730 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.485 -5.431 4.105 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.550 -5.595 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.401 -4.959 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.526 -3.576 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.020 -4.440 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.174 -7.237 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.247 -6.749 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.134 -7.535 2.461 1.00 0.00 H new ATOM 477 N HIS A 31 0.807 -6.327 4.010 1.00 0.00 N ATOM 478 CA HIS A 31 2.228 -6.664 4.301 1.00 0.00 C ATOM 479 C HIS A 31 3.070 -6.623 3.024 1.00 0.00 C ATOM 480 O HIS A 31 2.575 -6.870 1.942 1.00 0.00 O ATOM 481 CB HIS A 31 2.179 -8.086 4.861 1.00 0.00 C ATOM 482 CG HIS A 31 3.149 -8.211 6.005 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.999 -9.297 6.137 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.414 -7.393 7.075 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.730 -9.106 7.251 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.413 -7.961 7.861 1.00 0.00 N ATOM 0 H HIS A 31 0.137 -7.059 4.246 1.00 0.00 H new ATOM 0 HA HIS A 31 2.683 -5.957 4.994 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.170 -8.320 5.199 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.428 -8.804 4.080 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.923 -6.453 7.276 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.481 -9.795 7.608 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.816 -7.584 8.719 1.00 0.00 H new ATOM 494 N PRO A 32 4.325 -6.318 3.204 1.00 0.00 N ATOM 495 CA PRO A 32 5.268 -6.249 2.060 1.00 0.00 C ATOM 496 C PRO A 32 5.591 -7.658 1.572 1.00 0.00 C ATOM 497 O PRO A 32 6.684 -8.154 1.754 1.00 0.00 O ATOM 498 CB PRO A 32 6.504 -5.591 2.659 1.00 0.00 C ATOM 499 CG PRO A 32 6.438 -5.898 4.120 1.00 0.00 C ATOM 500 CD PRO A 32 4.980 -6.010 4.480 1.00 0.00 C ATOM 0 HA PRO A 32 4.874 -5.703 1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.417 -5.987 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.503 -4.516 2.482 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.963 -6.827 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.920 -5.112 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.809 -6.795 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.602 -5.082 4.910 1.00 0.00 H new ATOM 508 N LYS A 33 4.642 -8.313 0.971 1.00 0.00 N ATOM 509 CA LYS A 33 4.890 -9.699 0.492 1.00 0.00 C ATOM 510 C LYS A 33 3.631 -10.259 -0.167 1.00 0.00 C ATOM 511 O LYS A 33 3.703 -11.029 -1.103 1.00 0.00 O ATOM 512 CB LYS A 33 5.230 -10.496 1.754 1.00 0.00 C ATOM 513 CG LYS A 33 4.289 -10.088 2.895 1.00 0.00 C ATOM 514 CD LYS A 33 3.503 -11.310 3.374 1.00 0.00 C ATOM 515 CE LYS A 33 2.002 -11.020 3.285 1.00 0.00 C ATOM 516 NZ LYS A 33 1.358 -12.358 3.162 1.00 0.00 N ATOM 0 H LYS A 33 3.706 -7.950 0.790 1.00 0.00 H new ATOM 0 HA LYS A 33 5.688 -9.745 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.136 -11.564 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.266 -10.315 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.863 -9.666 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.603 -9.312 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.753 -12.178 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.777 -11.552 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.649 -10.492 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.772 -10.391 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.380 -12.306 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.353 -12.651 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.890 -13.053 3.724 1.00 0.00 H new ATOM 530 N ALA A 34 2.478 -9.879 0.316 1.00 0.00 N ATOM 531 CA ALA A 34 1.212 -10.391 -0.282 1.00 0.00 C ATOM 532 C ALA A 34 1.319 -10.384 -1.810 1.00 0.00 C ATOM 533 O ALA A 34 1.046 -9.392 -2.456 1.00 0.00 O ATOM 534 CB ALA A 34 0.131 -9.416 0.182 1.00 0.00 C ATOM 0 H ALA A 34 2.359 -9.236 1.099 1.00 0.00 H new ATOM 0 HA ALA A 34 0.992 -11.415 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.834 -9.726 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.088 -9.412 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.367 -8.414 -0.175 1.00 0.00 H new ATOM 540 N THR A 35 1.722 -11.479 -2.392 1.00 0.00 N ATOM 541 CA THR A 35 1.857 -11.528 -3.877 1.00 0.00 C ATOM 542 C THR A 35 0.570 -11.044 -4.546 1.00 0.00 C ATOM 543 O THR A 35 -0.522 -11.341 -4.103 1.00 0.00 O ATOM 544 CB THR A 35 2.114 -13.001 -4.202 1.00 0.00 C ATOM 545 OG1 THR A 35 1.644 -13.810 -3.134 1.00 0.00 O ATOM 546 CG2 THR A 35 3.615 -13.226 -4.394 1.00 0.00 C ATOM 0 H THR A 35 1.964 -12.342 -1.905 1.00 0.00 H new ATOM 0 HA THR A 35 2.659 -10.885 -4.239 1.00 0.00 H new ATOM 0 HB THR A 35 1.588 -13.269 -5.118 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.807 -14.754 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.799 -14.275 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.974 -12.605 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.143 -12.958 -3.479 1.00 0.00 H new ATOM 554 N LYS A 36 0.690 -10.296 -5.611 1.00 0.00 N ATOM 555 CA LYS A 36 -0.525 -9.792 -6.311 1.00 0.00 C ATOM 556 C LYS A 36 -1.576 -10.901 -6.401 1.00 0.00 C ATOM 557 O LYS A 36 -2.748 -10.680 -6.169 1.00 0.00 O ATOM 558 CB LYS A 36 -0.042 -9.392 -7.706 1.00 0.00 C ATOM 559 CG LYS A 36 0.715 -8.065 -7.624 1.00 0.00 C ATOM 560 CD LYS A 36 0.278 -7.156 -8.774 1.00 0.00 C ATOM 561 CE LYS A 36 0.243 -5.703 -8.293 1.00 0.00 C ATOM 562 NZ LYS A 36 0.262 -4.886 -9.538 1.00 0.00 N ATOM 0 H LYS A 36 1.578 -10.013 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.989 -8.956 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.606 -10.168 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.891 -9.297 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.518 -7.580 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.789 -8.243 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.967 -7.256 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.707 -7.455 -9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.652 -5.504 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.100 -5.476 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.560 -3.916 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.929 -5.304 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.690 -4.867 -9.955 1.00 0.00 H new ATOM 576 N THR A 37 -1.163 -12.094 -6.728 1.00 0.00 N ATOM 577 CA THR A 37 -2.136 -13.217 -6.823 1.00 0.00 C ATOM 578 C THR A 37 -2.745 -13.501 -5.450 1.00 0.00 C ATOM 579 O THR A 37 -3.948 -13.525 -5.284 1.00 0.00 O ATOM 580 CB THR A 37 -1.321 -14.409 -7.292 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.246 -13.961 -8.106 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.214 -15.357 -8.088 1.00 0.00 C ATOM 0 H THR A 37 -0.194 -12.339 -6.933 1.00 0.00 H new ATOM 0 HA THR A 37 -2.959 -12.992 -7.502 1.00 0.00 H new ATOM 0 HB THR A 37 -0.919 -14.937 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.280 -14.731 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.628 -16.212 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.032 -15.703 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.621 -14.833 -8.953 1.00 0.00 H new ATOM 590 N GLU A 38 -1.920 -13.710 -4.461 1.00 0.00 N ATOM 591 CA GLU A 38 -2.451 -13.985 -3.097 1.00 0.00 C ATOM 592 C GLU A 38 -3.387 -12.853 -2.674 1.00 0.00 C ATOM 593 O GLU A 38 -4.429 -13.077 -2.093 1.00 0.00 O ATOM 594 CB GLU A 38 -1.222 -14.034 -2.189 1.00 0.00 C ATOM 595 CG GLU A 38 -0.873 -15.492 -1.878 1.00 0.00 C ATOM 596 CD GLU A 38 -1.584 -15.925 -0.596 1.00 0.00 C ATOM 597 OE1 GLU A 38 -2.715 -16.371 -0.692 1.00 0.00 O ATOM 598 OE2 GLU A 38 -0.986 -15.802 0.460 1.00 0.00 O ATOM 0 H GLU A 38 -0.903 -13.702 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.021 -14.913 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.379 -13.543 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.418 -13.491 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.173 -16.133 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.205 -15.602 -1.763 1.00 0.00 H new ATOM 605 N ILE A 39 -3.029 -11.634 -2.979 1.00 0.00 N ATOM 606 CA ILE A 39 -3.908 -10.493 -2.610 1.00 0.00 C ATOM 607 C ILE A 39 -5.286 -10.702 -3.242 1.00 0.00 C ATOM 608 O ILE A 39 -6.302 -10.313 -2.705 1.00 0.00 O ATOM 609 CB ILE A 39 -3.220 -9.258 -3.196 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.053 -8.854 -2.292 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.216 -8.101 -3.285 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.389 -7.592 -2.845 1.00 0.00 C ATOM 0 H ILE A 39 -2.169 -11.382 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.053 -10.393 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.851 -9.491 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.410 -8.675 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.326 -9.664 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.720 -7.225 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.049 -8.387 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.590 -7.865 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.558 -7.306 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.017 -7.787 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.118 -6.782 -2.879 1.00 0.00 H new ATOM 624 N LYS A 40 -5.320 -11.334 -4.379 1.00 0.00 N ATOM 625 CA LYS A 40 -6.620 -11.595 -5.053 1.00 0.00 C ATOM 626 C LYS A 40 -7.484 -12.503 -4.179 1.00 0.00 C ATOM 627 O LYS A 40 -8.674 -12.310 -4.037 1.00 0.00 O ATOM 628 CB LYS A 40 -6.240 -12.321 -6.342 1.00 0.00 C ATOM 629 CG LYS A 40 -7.468 -12.435 -7.243 1.00 0.00 C ATOM 630 CD LYS A 40 -7.065 -13.059 -8.581 1.00 0.00 C ATOM 631 CE LYS A 40 -7.592 -12.195 -9.729 1.00 0.00 C ATOM 632 NZ LYS A 40 -6.560 -12.305 -10.797 1.00 0.00 N ATOM 0 H LYS A 40 -4.499 -11.683 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.188 -10.683 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.447 -11.779 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.851 -13.313 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.231 -13.046 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.905 -11.450 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.980 -13.142 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.467 -14.069 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.561 -12.551 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.727 -11.160 -9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.850 -11.739 -11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.650 -11.953 -10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.459 -13.300 -11.081 1.00 0.00 H new ATOM 646 N ASN A 41 -6.881 -13.505 -3.608 1.00 0.00 N ATOM 647 CA ASN A 41 -7.642 -14.461 -2.754 1.00 0.00 C ATOM 648 C ASN A 41 -8.065 -13.825 -1.422 1.00 0.00 C ATOM 649 O ASN A 41 -9.184 -13.993 -0.987 1.00 0.00 O ATOM 650 CB ASN A 41 -6.670 -15.615 -2.503 1.00 0.00 C ATOM 651 CG ASN A 41 -6.361 -16.320 -3.825 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.054 -17.240 -4.212 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.343 -15.925 -4.539 1.00 0.00 N ATOM 0 H ASN A 41 -5.885 -13.706 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.564 -14.780 -3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.750 -15.239 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.103 -16.321 -1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.129 -16.388 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.761 -15.153 -4.214 1.00 0.00 H new ATOM 660 N ALA A 42 -7.187 -13.116 -0.757 1.00 0.00 N ATOM 661 CA ALA A 42 -7.574 -12.515 0.558 1.00 0.00 C ATOM 662 C ALA A 42 -8.791 -11.596 0.404 1.00 0.00 C ATOM 663 O ALA A 42 -9.771 -11.733 1.105 1.00 0.00 O ATOM 664 CB ALA A 42 -6.353 -11.713 1.021 1.00 0.00 C ATOM 0 H ALA A 42 -6.232 -12.929 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.852 -13.283 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.568 -11.245 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.498 -12.381 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.123 -10.943 0.285 1.00 0.00 H new ATOM 670 N VAL A 43 -8.753 -10.666 -0.505 1.00 0.00 N ATOM 671 CA VAL A 43 -9.927 -9.762 -0.676 1.00 0.00 C ATOM 672 C VAL A 43 -11.174 -10.587 -1.029 1.00 0.00 C ATOM 673 O VAL A 43 -12.266 -10.307 -0.576 1.00 0.00 O ATOM 674 CB VAL A 43 -9.528 -8.797 -1.811 1.00 0.00 C ATOM 675 CG1 VAL A 43 -10.273 -9.129 -3.109 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.869 -7.364 -1.395 1.00 0.00 C ATOM 0 H VAL A 43 -7.969 -10.491 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.176 -9.211 0.231 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.458 -8.901 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.971 -8.432 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.032 -10.146 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.347 -9.045 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.589 -6.677 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.940 -7.285 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.321 -7.108 -0.488 1.00 0.00 H new ATOM 686 N GLU A 44 -11.014 -11.600 -1.835 1.00 0.00 N ATOM 687 CA GLU A 44 -12.183 -12.443 -2.222 1.00 0.00 C ATOM 688 C GLU A 44 -12.752 -13.164 -0.995 1.00 0.00 C ATOM 689 O GLU A 44 -13.939 -13.406 -0.902 1.00 0.00 O ATOM 690 CB GLU A 44 -11.623 -13.455 -3.223 1.00 0.00 C ATOM 691 CG GLU A 44 -12.142 -13.133 -4.627 1.00 0.00 C ATOM 692 CD GLU A 44 -13.358 -14.009 -4.936 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.193 -14.160 -4.059 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.433 -14.514 -6.044 1.00 0.00 O ATOM 0 H GLU A 44 -10.123 -11.882 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.995 -11.851 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.533 -13.427 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.919 -14.465 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.414 -12.079 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.358 -13.307 -5.365 1.00 0.00 H new ATOM 701 N THR A 45 -11.915 -13.516 -0.056 1.00 0.00 N ATOM 702 CA THR A 45 -12.410 -14.231 1.159 1.00 0.00 C ATOM 703 C THR A 45 -13.381 -13.347 1.948 1.00 0.00 C ATOM 704 O THR A 45 -14.440 -13.781 2.356 1.00 0.00 O ATOM 705 CB THR A 45 -11.162 -14.506 1.998 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.697 -13.283 2.548 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.067 -15.125 1.126 1.00 0.00 C ATOM 0 H THR A 45 -10.910 -13.340 -0.076 1.00 0.00 H new ATOM 0 HA THR A 45 -12.946 -15.144 0.898 1.00 0.00 H new ATOM 0 HB THR A 45 -11.410 -15.203 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.074 -12.859 1.922 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.183 -15.317 1.734 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.426 -16.063 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.811 -14.437 0.320 1.00 0.00 H new ATOM 715 N ALA A 46 -13.020 -12.114 2.181 1.00 0.00 N ATOM 716 CA ALA A 46 -13.914 -11.208 2.961 1.00 0.00 C ATOM 717 C ALA A 46 -14.928 -10.520 2.042 1.00 0.00 C ATOM 718 O ALA A 46 -16.118 -10.544 2.288 1.00 0.00 O ATOM 719 CB ALA A 46 -12.975 -10.176 3.587 1.00 0.00 C ATOM 0 H ALA A 46 -12.145 -11.694 1.866 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.492 -11.751 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.555 -9.469 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.254 -10.682 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.446 -9.640 2.799 1.00 0.00 H new ATOM 725 N PHE A 47 -14.467 -9.900 0.991 1.00 0.00 N ATOM 726 CA PHE A 47 -15.408 -9.203 0.065 1.00 0.00 C ATOM 727 C PHE A 47 -16.219 -10.220 -0.740 1.00 0.00 C ATOM 728 O PHE A 47 -17.275 -9.916 -1.258 1.00 0.00 O ATOM 729 CB PHE A 47 -14.511 -8.380 -0.854 1.00 0.00 C ATOM 730 CG PHE A 47 -13.835 -7.295 -0.051 1.00 0.00 C ATOM 731 CD1 PHE A 47 -14.576 -6.194 0.395 1.00 0.00 C ATOM 732 CD2 PHE A 47 -12.470 -7.388 0.246 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.952 -5.187 1.138 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.847 -6.378 0.989 1.00 0.00 C ATOM 735 CZ PHE A 47 -12.589 -5.278 1.435 1.00 0.00 C ATOM 0 H PHE A 47 -13.482 -9.845 0.732 1.00 0.00 H new ATOM 0 HA PHE A 47 -16.129 -8.583 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.764 -9.021 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.101 -7.939 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.629 -6.122 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.898 -8.238 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.524 -4.338 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.794 -6.448 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.108 -4.499 2.009 1.00 0.00 H new ATOM 745 N LYS A 48 -15.730 -11.422 -0.855 1.00 0.00 N ATOM 746 CA LYS A 48 -16.468 -12.458 -1.630 1.00 0.00 C ATOM 747 C LYS A 48 -16.924 -11.874 -2.963 1.00 0.00 C ATOM 748 O LYS A 48 -18.035 -12.086 -3.407 1.00 0.00 O ATOM 749 CB LYS A 48 -17.665 -12.838 -0.760 1.00 0.00 C ATOM 750 CG LYS A 48 -17.168 -13.322 0.603 1.00 0.00 C ATOM 751 CD LYS A 48 -18.035 -12.717 1.709 1.00 0.00 C ATOM 752 CE LYS A 48 -19.491 -13.138 1.504 1.00 0.00 C ATOM 753 NZ LYS A 48 -20.282 -12.208 2.356 1.00 0.00 N ATOM 0 H LYS A 48 -14.849 -11.733 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.852 -13.328 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.325 -11.980 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.248 -13.620 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.207 -14.410 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.126 -13.034 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.683 -13.051 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.954 -11.630 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.782 -13.058 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.648 -14.175 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -21.294 -12.433 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.988 -12.311 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.118 -11.229 2.046 1.00 0.00 H new ATOM 767 N VAL A 49 -16.065 -11.136 -3.596 1.00 0.00 N ATOM 768 CA VAL A 49 -16.416 -10.521 -4.899 1.00 0.00 C ATOM 769 C VAL A 49 -15.511 -11.085 -5.997 1.00 0.00 C ATOM 770 O VAL A 49 -14.870 -12.103 -5.828 1.00 0.00 O ATOM 771 CB VAL A 49 -16.188 -9.017 -4.676 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.872 -8.541 -5.310 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.356 -8.247 -5.275 1.00 0.00 C ATOM 0 H VAL A 49 -15.123 -10.930 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.438 -10.725 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.121 -8.834 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.747 -7.473 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.037 -9.084 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.897 -8.728 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.204 -7.179 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.420 -8.455 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.282 -8.555 -4.789 1.00 0.00 H new ATOM 783 N LYS A 50 -15.441 -10.420 -7.113 1.00 0.00 N ATOM 784 CA LYS A 50 -14.561 -10.910 -8.209 1.00 0.00 C ATOM 785 C LYS A 50 -13.438 -9.908 -8.460 1.00 0.00 C ATOM 786 O LYS A 50 -13.652 -8.843 -9.004 1.00 0.00 O ATOM 787 CB LYS A 50 -15.453 -11.027 -9.445 1.00 0.00 C ATOM 788 CG LYS A 50 -14.759 -11.919 -10.475 1.00 0.00 C ATOM 789 CD LYS A 50 -13.549 -11.181 -11.050 1.00 0.00 C ATOM 790 CE LYS A 50 -13.408 -11.508 -12.538 1.00 0.00 C ATOM 791 NZ LYS A 50 -11.975 -11.871 -12.718 1.00 0.00 N ATOM 0 H LYS A 50 -15.953 -9.561 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.100 -11.866 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.421 -11.448 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.642 -10.040 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.443 -12.853 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.453 -12.180 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.667 -10.106 -10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.645 -11.473 -10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.063 -12.331 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.680 -10.653 -13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.703 -11.730 -13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.385 -11.269 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.834 -12.868 -12.459 1.00 0.00 H new ATOM 805 N VAL A 51 -12.240 -10.240 -8.072 1.00 0.00 N ATOM 806 CA VAL A 51 -11.108 -9.303 -8.296 1.00 0.00 C ATOM 807 C VAL A 51 -10.663 -9.388 -9.754 1.00 0.00 C ATOM 808 O VAL A 51 -10.267 -10.431 -10.234 1.00 0.00 O ATOM 809 CB VAL A 51 -10.004 -9.792 -7.362 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.666 -9.186 -7.788 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.326 -9.360 -5.930 1.00 0.00 C ATOM 0 H VAL A 51 -11.997 -11.117 -7.611 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.369 -8.264 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.940 -10.879 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.879 -9.536 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.437 -9.491 -8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.727 -8.099 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.540 -9.707 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.389 -8.273 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.279 -9.792 -5.625 1.00 0.00 H new ATOM 821 N VAL A 52 -10.738 -8.301 -10.468 1.00 0.00 N ATOM 822 CA VAL A 52 -10.335 -8.329 -11.899 1.00 0.00 C ATOM 823 C VAL A 52 -8.986 -7.635 -12.094 1.00 0.00 C ATOM 824 O VAL A 52 -8.551 -7.411 -13.207 1.00 0.00 O ATOM 825 CB VAL A 52 -11.445 -7.580 -12.635 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.338 -6.081 -12.367 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.304 -7.818 -14.127 1.00 0.00 C ATOM 0 H VAL A 52 -11.060 -7.397 -10.123 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.213 -9.346 -12.272 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.410 -7.943 -12.281 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.135 -5.559 -12.897 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.432 -5.895 -11.297 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.371 -5.717 -12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.094 -7.286 -14.657 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.333 -7.455 -14.463 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.384 -8.885 -14.334 1.00 0.00 H new ATOM 837 N LYS A 53 -8.317 -7.300 -11.026 1.00 0.00 N ATOM 838 CA LYS A 53 -6.991 -6.627 -11.159 1.00 0.00 C ATOM 839 C LYS A 53 -6.536 -6.072 -9.810 1.00 0.00 C ATOM 840 O LYS A 53 -7.163 -5.200 -9.242 1.00 0.00 O ATOM 841 CB LYS A 53 -7.213 -5.484 -12.150 1.00 0.00 C ATOM 842 CG LYS A 53 -6.506 -5.806 -13.467 1.00 0.00 C ATOM 843 CD LYS A 53 -5.756 -4.567 -13.960 1.00 0.00 C ATOM 844 CE LYS A 53 -6.558 -3.893 -15.075 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.635 -3.851 -16.242 1.00 0.00 N ATOM 0 H LYS A 53 -8.629 -7.462 -10.068 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.220 -7.319 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.280 -5.341 -12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.829 -4.551 -11.737 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.810 -6.633 -13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.233 -6.125 -14.214 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.603 -3.870 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.769 -4.849 -14.327 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.462 -4.456 -15.307 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.873 -2.891 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.115 -3.402 -17.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.787 -3.303 -15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.358 -4.820 -16.500 1.00 0.00 H new ATOM 859 N VAL A 54 -5.442 -6.561 -9.301 1.00 0.00 N ATOM 860 CA VAL A 54 -4.940 -6.049 -7.996 1.00 0.00 C ATOM 861 C VAL A 54 -3.593 -5.352 -8.204 1.00 0.00 C ATOM 862 O VAL A 54 -2.617 -5.968 -8.583 1.00 0.00 O ATOM 863 CB VAL A 54 -4.803 -7.290 -7.091 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.487 -7.250 -6.301 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.963 -7.313 -6.098 1.00 0.00 C ATOM 0 H VAL A 54 -4.874 -7.291 -9.730 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.609 -5.315 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.812 -8.179 -7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.414 -8.136 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.647 -7.228 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.465 -6.357 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.873 -8.188 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.938 -6.410 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.907 -7.358 -6.642 1.00 0.00 H new ATOM 875 N ASN A 55 -3.526 -4.079 -7.943 1.00 0.00 N ATOM 876 CA ASN A 55 -2.236 -3.363 -8.113 1.00 0.00 C ATOM 877 C ASN A 55 -1.791 -2.795 -6.770 1.00 0.00 C ATOM 878 O ASN A 55 -2.439 -1.943 -6.199 1.00 0.00 O ATOM 879 CB ASN A 55 -2.525 -2.243 -9.113 1.00 0.00 C ATOM 880 CG ASN A 55 -2.993 -2.850 -10.437 1.00 0.00 C ATOM 881 OD1 ASN A 55 -2.401 -3.789 -10.931 1.00 0.00 O ATOM 882 ND2 ASN A 55 -4.038 -2.349 -11.038 1.00 0.00 N ATOM 0 H ASN A 55 -4.306 -3.506 -7.621 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.437 -4.013 -8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.290 -1.575 -8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.629 -1.643 -9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.357 -2.746 -11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.535 -1.561 -10.624 1.00 0.00 H new ATOM 889 N THR A 56 -0.689 -3.260 -6.258 1.00 0.00 N ATOM 890 CA THR A 56 -0.216 -2.743 -4.946 1.00 0.00 C ATOM 891 C THR A 56 1.109 -1.999 -5.124 1.00 0.00 C ATOM 892 O THR A 56 1.784 -2.142 -6.124 1.00 0.00 O ATOM 893 CB THR A 56 -0.041 -3.965 -4.014 1.00 0.00 C ATOM 894 OG1 THR A 56 1.260 -3.936 -3.445 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.230 -5.283 -4.774 1.00 0.00 C ATOM 0 H THR A 56 -0.098 -3.972 -6.688 1.00 0.00 H new ATOM 0 HA THR A 56 -0.930 -2.039 -4.518 1.00 0.00 H new ATOM 0 HB THR A 56 -0.801 -3.910 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.922 -4.161 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.100 -6.120 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.232 -5.316 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.508 -5.351 -5.574 1.00 0.00 H new ATOM 903 N LEU A 57 1.480 -1.196 -4.164 1.00 0.00 N ATOM 904 CA LEU A 57 2.753 -0.431 -4.284 1.00 0.00 C ATOM 905 C LEU A 57 3.298 -0.078 -2.898 1.00 0.00 C ATOM 906 O LEU A 57 2.556 0.049 -1.943 1.00 0.00 O ATOM 907 CB LEU A 57 2.372 0.840 -5.045 1.00 0.00 C ATOM 908 CG LEU A 57 1.092 1.428 -4.448 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.209 2.952 -4.390 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.103 1.042 -5.323 1.00 0.00 C ATOM 0 H LEU A 57 0.957 -1.037 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 57 3.531 -1.001 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.181 1.568 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.223 0.614 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 57 0.948 1.036 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.297 3.371 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.060 3.228 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.353 3.344 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.015 1.461 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.042 1.434 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.187 -0.044 -5.365 1.00 0.00 H new ATOM 922 N HIS A 58 4.587 0.088 -2.779 1.00 0.00 N ATOM 923 CA HIS A 58 5.172 0.441 -1.454 1.00 0.00 C ATOM 924 C HIS A 58 4.708 1.839 -1.040 1.00 0.00 C ATOM 925 O HIS A 58 4.783 2.781 -1.804 1.00 0.00 O ATOM 926 CB HIS A 58 6.686 0.414 -1.663 1.00 0.00 C ATOM 927 CG HIS A 58 7.343 -0.262 -0.490 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.363 -1.188 -0.650 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.142 -0.157 0.866 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.732 -1.601 0.576 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.020 -1.004 1.536 1.00 0.00 N ATOM 0 H HIS A 58 5.259 -0.005 -3.540 1.00 0.00 H new ATOM 0 HA HIS A 58 4.864 -0.247 -0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.927 -0.117 -2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.067 1.430 -1.771 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.761 -1.499 -1.536 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.414 0.485 1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.510 -2.327 0.762 1.00 0.00 H new ATOM 939 N VAL A 59 4.224 1.979 0.161 1.00 0.00 N ATOM 940 CA VAL A 59 3.747 3.316 0.626 1.00 0.00 C ATOM 941 C VAL A 59 4.593 3.796 1.808 1.00 0.00 C ATOM 942 O VAL A 59 4.760 3.097 2.786 1.00 0.00 O ATOM 943 CB VAL A 59 2.280 3.134 1.060 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.364 3.818 0.045 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.908 1.646 1.145 1.00 0.00 C ATOM 0 H VAL A 59 4.137 1.226 0.844 1.00 0.00 H new ATOM 0 HA VAL A 59 3.832 4.061 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 59 2.157 3.581 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.325 3.691 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.601 4.881 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.512 3.370 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.867 1.548 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.042 1.181 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.550 1.151 1.874 1.00 0.00 H new ATOM 955 N ARG A 60 5.129 4.981 1.725 1.00 0.00 N ATOM 956 CA ARG A 60 5.966 5.501 2.845 1.00 0.00 C ATOM 957 C ARG A 60 5.215 6.599 3.603 1.00 0.00 C ATOM 958 O ARG A 60 4.789 7.582 3.031 1.00 0.00 O ATOM 959 CB ARG A 60 7.212 6.070 2.168 1.00 0.00 C ATOM 960 CG ARG A 60 8.190 4.935 1.852 1.00 0.00 C ATOM 961 CD ARG A 60 7.438 3.763 1.217 1.00 0.00 C ATOM 962 NE ARG A 60 8.491 2.941 0.558 1.00 0.00 N ATOM 963 CZ ARG A 60 9.071 3.374 -0.527 1.00 0.00 C ATOM 964 NH1 ARG A 60 8.368 3.569 -1.609 1.00 0.00 N ATOM 965 NH2 ARG A 60 10.355 3.612 -0.531 1.00 0.00 N ATOM 0 H ARG A 60 5.025 5.613 0.931 1.00 0.00 H new ATOM 0 HA ARG A 60 6.212 4.729 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.934 6.590 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.689 6.803 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.967 5.290 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.688 4.608 2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.900 3.186 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.700 4.112 0.495 1.00 0.00 H new ATOM 0 HE ARG A 60 8.758 2.040 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.365 3.383 -1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.821 3.908 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.905 3.459 0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.808 3.951 -1.380 1.00 0.00 H new ATOM 979 N GLY A 61 5.051 6.439 4.889 1.00 0.00 N ATOM 980 CA GLY A 61 4.330 7.474 5.683 1.00 0.00 C ATOM 981 C GLY A 61 5.317 8.552 6.136 1.00 0.00 C ATOM 982 O GLY A 61 6.510 8.438 5.936 1.00 0.00 O ATOM 0 H GLY A 61 5.385 5.637 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.538 7.921 5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.853 7.016 6.549 1.00 0.00 H new ATOM 986 N LYS A 62 4.827 9.598 6.743 1.00 0.00 N ATOM 987 CA LYS A 62 5.738 10.684 7.209 1.00 0.00 C ATOM 988 C LYS A 62 6.849 10.103 8.087 1.00 0.00 C ATOM 989 O LYS A 62 8.007 10.446 7.949 1.00 0.00 O ATOM 990 CB LYS A 62 4.848 11.624 8.023 1.00 0.00 C ATOM 991 CG LYS A 62 5.697 12.753 8.610 1.00 0.00 C ATOM 992 CD LYS A 62 5.466 14.036 7.808 1.00 0.00 C ATOM 993 CE LYS A 62 4.504 14.950 8.570 1.00 0.00 C ATOM 994 NZ LYS A 62 3.158 14.344 8.371 1.00 0.00 N ATOM 0 H LYS A 62 3.837 9.748 6.937 1.00 0.00 H new ATOM 0 HA LYS A 62 6.225 11.198 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.063 12.037 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.355 11.072 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.435 12.913 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.752 12.480 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.414 14.548 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.055 13.795 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.762 15.000 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.539 15.969 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.426 15.013 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.020 14.128 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.087 13.467 8.926 1.00 0.00 H new ATOM 1008 N LYS A 63 6.507 9.226 8.990 1.00 0.00 N ATOM 1009 CA LYS A 63 7.544 8.624 9.877 1.00 0.00 C ATOM 1010 C LYS A 63 8.782 8.244 9.060 1.00 0.00 C ATOM 1011 O LYS A 63 8.749 8.208 7.845 1.00 0.00 O ATOM 1012 CB LYS A 63 6.885 7.374 10.464 1.00 0.00 C ATOM 1013 CG LYS A 63 7.508 7.060 11.827 1.00 0.00 C ATOM 1014 CD LYS A 63 6.948 8.019 12.879 1.00 0.00 C ATOM 1015 CE LYS A 63 6.271 7.215 13.992 1.00 0.00 C ATOM 1016 NZ LYS A 63 6.630 7.923 15.252 1.00 0.00 N ATOM 0 H LYS A 63 5.554 8.900 9.153 1.00 0.00 H new ATOM 0 HA LYS A 63 7.875 9.314 10.653 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.812 7.532 10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.017 6.529 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.292 6.029 12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.592 7.156 11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.750 8.630 13.293 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.232 8.701 12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.190 7.181 13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.624 6.184 14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.202 7.430 16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.664 7.934 15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.275 8.900 15.214 1.00 0.00 H new ATOM 1030 N LYS A 64 9.873 7.959 9.718 1.00 0.00 N ATOM 1031 CA LYS A 64 11.111 7.579 8.986 1.00 0.00 C ATOM 1032 C LYS A 64 12.278 7.434 9.968 1.00 0.00 C ATOM 1033 O LYS A 64 12.996 8.376 10.237 1.00 0.00 O ATOM 1034 CB LYS A 64 11.373 8.726 8.008 1.00 0.00 C ATOM 1035 CG LYS A 64 11.188 10.063 8.725 1.00 0.00 C ATOM 1036 CD LYS A 64 11.300 11.206 7.713 1.00 0.00 C ATOM 1037 CE LYS A 64 12.168 12.323 8.297 1.00 0.00 C ATOM 1038 NZ LYS A 64 12.381 13.273 7.170 1.00 0.00 N ATOM 0 H LYS A 64 9.959 7.974 10.734 1.00 0.00 H new ATOM 0 HA LYS A 64 11.005 6.625 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.385 8.653 7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.690 8.658 7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.216 10.092 9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.942 10.177 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.736 10.841 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.309 11.590 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.672 12.811 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.115 11.933 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.969 14.068 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.861 12.782 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.462 13.633 6.841 1.00 0.00 H new ATOM 1052 N ARG A 65 12.469 6.261 10.507 1.00 0.00 N ATOM 1053 CA ARG A 65 13.587 6.058 11.472 1.00 0.00 C ATOM 1054 C ARG A 65 14.042 4.594 11.454 1.00 0.00 C ATOM 1055 O ARG A 65 13.824 3.879 10.496 1.00 0.00 O ATOM 1056 CB ARG A 65 13.005 6.429 12.839 1.00 0.00 C ATOM 1057 CG ARG A 65 11.642 5.755 13.023 1.00 0.00 C ATOM 1058 CD ARG A 65 11.840 4.267 13.317 1.00 0.00 C ATOM 1059 NE ARG A 65 10.830 3.945 14.364 1.00 0.00 N ATOM 1060 CZ ARG A 65 9.610 3.632 14.019 1.00 0.00 C ATOM 1061 NH1 ARG A 65 9.371 2.492 13.431 1.00 0.00 N ATOM 1062 NH2 ARG A 65 8.631 4.458 14.264 1.00 0.00 N ATOM 0 H ARG A 65 11.900 5.435 10.321 1.00 0.00 H new ATOM 0 HA ARG A 65 14.460 6.662 11.227 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.685 6.116 13.631 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.900 7.511 12.918 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.099 6.228 13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.038 5.881 12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.687 3.664 12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.852 4.065 13.669 1.00 0.00 H new ATOM 0 HE ARG A 65 11.091 3.969 15.350 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.137 1.846 13.241 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.418 2.247 13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.818 5.348 14.725 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.678 4.214 13.995 1.00 0.00 H new ATOM 1076 N LEU A 66 14.680 4.145 12.503 1.00 0.00 N ATOM 1077 CA LEU A 66 15.155 2.730 12.546 1.00 0.00 C ATOM 1078 C LEU A 66 16.329 2.545 11.583 1.00 0.00 C ATOM 1079 O LEU A 66 16.225 2.812 10.402 1.00 0.00 O ATOM 1080 CB LEU A 66 13.957 1.882 12.107 1.00 0.00 C ATOM 1081 CG LEU A 66 13.900 0.606 12.949 1.00 0.00 C ATOM 1082 CD1 LEU A 66 12.993 0.834 14.159 1.00 0.00 C ATOM 1083 CD2 LEU A 66 13.342 -0.538 12.102 1.00 0.00 C ATOM 0 H LEU A 66 14.893 4.698 13.333 1.00 0.00 H new ATOM 0 HA LEU A 66 15.504 2.443 13.538 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.034 2.449 12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.044 1.630 11.050 1.00 0.00 H new ATOM 0 HG LEU A 66 14.903 0.350 13.290 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.952 -0.075 14.759 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.390 1.650 14.763 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.990 1.090 13.819 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.301 -1.448 12.701 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.339 -0.282 11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.988 -0.701 11.239 1.00 0.00 H new ATOM 1095 N GLY A 67 17.448 2.092 12.078 1.00 0.00 N ATOM 1096 CA GLY A 67 18.627 1.895 11.196 1.00 0.00 C ATOM 1097 C GLY A 67 18.925 3.195 10.450 1.00 0.00 C ATOM 1098 O GLY A 67 18.577 3.357 9.297 1.00 0.00 O ATOM 0 H GLY A 67 17.594 1.850 13.058 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.492 1.596 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.433 1.091 10.486 1.00 0.00 H new ATOM 1102 N ARG A 68 19.563 4.128 11.103 1.00 0.00 N ATOM 1103 CA ARG A 68 19.880 5.424 10.436 1.00 0.00 C ATOM 1104 C ARG A 68 20.369 5.183 9.003 1.00 0.00 C ATOM 1105 O ARG A 68 21.203 4.335 8.754 1.00 0.00 O ATOM 1106 CB ARG A 68 20.982 6.054 11.296 1.00 0.00 C ATOM 1107 CG ARG A 68 22.345 5.479 10.901 1.00 0.00 C ATOM 1108 CD ARG A 68 23.433 6.075 11.796 1.00 0.00 C ATOM 1109 NE ARG A 68 24.047 4.905 12.483 1.00 0.00 N ATOM 1110 CZ ARG A 68 23.407 4.306 13.450 1.00 0.00 C ATOM 1111 NH1 ARG A 68 23.499 4.757 14.671 1.00 0.00 N ATOM 1112 NH2 ARG A 68 22.676 3.255 13.195 1.00 0.00 N ATOM 0 H ARG A 68 19.879 4.049 12.070 1.00 0.00 H new ATOM 0 HA ARG A 68 19.008 6.074 10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 68 20.983 7.136 11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.788 5.860 12.351 1.00 0.00 H new ATOM 0 HG2 ARG A 68 22.335 4.393 10.998 1.00 0.00 H new ATOM 0 HG3 ARG A 68 22.557 5.704 9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 68 24.172 6.621 11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 68 23.012 6.779 12.514 1.00 0.00 H new ATOM 0 HE ARG A 68 24.968 4.572 12.198 1.00 0.00 H new ATOM 0 HH11 ARG A 68 24.071 5.578 14.870 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.999 4.289 15.427 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.605 2.902 12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.176 2.786 13.950 1.00 0.00 H new ATOM 1126 N TYR A 69 19.853 5.922 8.064 1.00 0.00 N ATOM 1127 CA TYR A 69 20.278 5.744 6.649 1.00 0.00 C ATOM 1128 C TYR A 69 19.872 6.971 5.825 1.00 0.00 C ATOM 1129 O TYR A 69 19.128 6.870 4.870 1.00 0.00 O ATOM 1130 CB TYR A 69 19.520 4.507 6.179 1.00 0.00 C ATOM 1131 CG TYR A 69 19.652 4.367 4.681 1.00 0.00 C ATOM 1132 CD1 TYR A 69 20.892 4.053 4.114 1.00 0.00 C ATOM 1133 CD2 TYR A 69 18.533 4.554 3.860 1.00 0.00 C ATOM 1134 CE1 TYR A 69 21.015 3.924 2.725 1.00 0.00 C ATOM 1135 CE2 TYR A 69 18.656 4.424 2.470 1.00 0.00 C ATOM 1136 CZ TYR A 69 19.896 4.109 1.904 1.00 0.00 C ATOM 1137 OH TYR A 69 20.017 3.982 0.534 1.00 0.00 O ATOM 0 H TYR A 69 19.151 6.646 8.216 1.00 0.00 H new ATOM 0 HA TYR A 69 21.357 5.632 6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.913 3.618 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 69 18.469 4.586 6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.755 3.910 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.576 4.798 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.972 3.682 2.287 1.00 0.00 H new ATOM 0 HE2 TYR A 69 17.794 4.567 1.836 1.00 0.00 H new ATOM 0 HH TYR A 69 19.147 4.141 0.113 1.00 0.00 H new ATOM 1147 N LEU A 70 20.352 8.129 6.190 1.00 0.00 N ATOM 1148 CA LEU A 70 19.988 9.358 5.430 1.00 0.00 C ATOM 1149 C LEU A 70 18.498 9.347 5.107 1.00 0.00 C ATOM 1150 O LEU A 70 18.073 9.712 4.029 1.00 0.00 O ATOM 1151 CB LEU A 70 20.812 9.285 4.154 1.00 0.00 C ATOM 1152 CG LEU A 70 21.530 10.617 3.925 1.00 0.00 C ATOM 1153 CD1 LEU A 70 20.510 11.757 3.945 1.00 0.00 C ATOM 1154 CD2 LEU A 70 22.561 10.836 5.034 1.00 0.00 C ATOM 0 H LEU A 70 20.980 8.277 6.980 1.00 0.00 H new ATOM 0 HA LEU A 70 20.186 10.271 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.540 8.477 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 70 20.166 9.059 3.305 1.00 0.00 H new ATOM 0 HG LEU A 70 22.033 10.597 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 70 21.021 12.706 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.774 11.601 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 70 20.006 11.778 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.073 11.784 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.057 10.856 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.288 10.024 5.020 1.00 0.00 H new ATOM 1166 N GLY A 71 17.714 8.925 6.043 1.00 0.00 N ATOM 1167 CA GLY A 71 16.239 8.869 5.831 1.00 0.00 C ATOM 1168 C GLY A 71 15.771 7.415 5.920 1.00 0.00 C ATOM 1169 O GLY A 71 15.840 6.671 4.962 1.00 0.00 O ATOM 0 H GLY A 71 18.028 8.610 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.729 9.474 6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.984 9.286 4.857 1.00 0.00 H new ATOM 1173 N LYS A 72 15.301 7.001 7.065 1.00 0.00 N ATOM 1174 CA LYS A 72 14.836 5.591 7.213 1.00 0.00 C ATOM 1175 C LYS A 72 13.334 5.491 6.937 1.00 0.00 C ATOM 1176 O LYS A 72 12.598 6.445 7.093 1.00 0.00 O ATOM 1177 CB LYS A 72 15.141 5.224 8.666 1.00 0.00 C ATOM 1178 CG LYS A 72 16.548 5.699 9.033 1.00 0.00 C ATOM 1179 CD LYS A 72 16.460 7.049 9.750 1.00 0.00 C ATOM 1180 CE LYS A 72 16.947 6.895 11.192 1.00 0.00 C ATOM 1181 NZ LYS A 72 18.002 7.933 11.352 1.00 0.00 N ATOM 0 H LYS A 72 15.219 7.576 7.903 1.00 0.00 H new ATOM 0 HA LYS A 72 15.329 4.920 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.407 5.683 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.064 4.145 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.035 4.965 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.158 5.791 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.065 7.790 9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.432 7.412 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.134 7.045 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.345 5.896 11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.650 7.654 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.534 8.027 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.560 8.844 11.588 1.00 0.00 H new ATOM 1195 N ARG A 73 12.877 4.338 6.531 1.00 0.00 N ATOM 1196 CA ARG A 73 11.423 4.166 6.245 1.00 0.00 C ATOM 1197 C ARG A 73 11.026 2.701 6.440 1.00 0.00 C ATOM 1198 O ARG A 73 11.783 1.806 6.117 1.00 0.00 O ATOM 1199 CB ARG A 73 11.256 4.574 4.780 1.00 0.00 C ATOM 1200 CG ARG A 73 10.564 5.937 4.705 1.00 0.00 C ATOM 1201 CD ARG A 73 11.354 6.859 3.773 1.00 0.00 C ATOM 1202 NE ARG A 73 10.392 7.234 2.699 1.00 0.00 N ATOM 1203 CZ ARG A 73 10.648 8.250 1.921 1.00 0.00 C ATOM 1204 NH1 ARG A 73 11.853 8.749 1.873 1.00 0.00 N ATOM 1205 NH2 ARG A 73 9.697 8.768 1.191 1.00 0.00 N ATOM 0 H ARG A 73 13.448 3.506 6.385 1.00 0.00 H new ATOM 0 HA ARG A 73 10.795 4.762 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.229 4.621 4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.668 3.826 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.544 5.819 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.497 6.378 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.717 7.739 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.227 6.352 3.362 1.00 0.00 H new ATOM 0 HE ARG A 73 9.534 6.697 2.572 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.595 8.345 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.052 9.543 1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.755 8.378 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.896 9.562 0.583 1.00 0.00 H new ATOM 1219 N PRO A 74 9.848 2.502 6.967 1.00 0.00 N ATOM 1220 CA PRO A 74 9.349 1.129 7.211 1.00 0.00 C ATOM 1221 C PRO A 74 8.968 0.463 5.889 1.00 0.00 C ATOM 1222 O PRO A 74 9.262 0.963 4.821 1.00 0.00 O ATOM 1223 CB PRO A 74 8.118 1.341 8.082 1.00 0.00 C ATOM 1224 CG PRO A 74 7.656 2.724 7.760 1.00 0.00 C ATOM 1225 CD PRO A 74 8.880 3.522 7.383 1.00 0.00 C ATOM 0 HA PRO A 74 10.089 0.481 7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.346 0.604 7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.360 1.241 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.938 2.709 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.153 3.172 8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.667 4.224 6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.251 4.106 8.225 1.00 0.00 H new ATOM 1233 N ASP A 75 8.303 -0.653 5.955 1.00 0.00 N ATOM 1234 CA ASP A 75 7.888 -1.346 4.712 1.00 0.00 C ATOM 1235 C ASP A 75 6.365 -1.378 4.631 1.00 0.00 C ATOM 1236 O ASP A 75 5.723 -2.303 5.089 1.00 0.00 O ATOM 1237 CB ASP A 75 8.453 -2.762 4.835 1.00 0.00 C ATOM 1238 CG ASP A 75 9.768 -2.855 4.060 1.00 0.00 C ATOM 1239 OD1 ASP A 75 10.632 -2.027 4.296 1.00 0.00 O ATOM 1240 OD2 ASP A 75 9.888 -3.753 3.243 1.00 0.00 O ATOM 0 H ASP A 75 8.029 -1.116 6.822 1.00 0.00 H new ATOM 0 HA ASP A 75 8.251 -0.848 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.618 -3.009 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.737 -3.486 4.446 1.00 0.00 H new ATOM 1245 N ARG A 76 5.787 -0.378 4.046 1.00 0.00 N ATOM 1246 CA ARG A 76 4.303 -0.339 3.920 1.00 0.00 C ATOM 1247 C ARG A 76 3.896 -0.622 2.474 1.00 0.00 C ATOM 1248 O ARG A 76 4.380 0.001 1.550 1.00 0.00 O ATOM 1249 CB ARG A 76 3.909 1.077 4.333 1.00 0.00 C ATOM 1250 CG ARG A 76 3.308 1.043 5.737 1.00 0.00 C ATOM 1251 CD ARG A 76 4.270 0.314 6.676 1.00 0.00 C ATOM 1252 NE ARG A 76 3.610 0.352 8.010 1.00 0.00 N ATOM 1253 CZ ARG A 76 3.364 1.497 8.584 1.00 0.00 C ATOM 1254 NH1 ARG A 76 2.286 2.165 8.272 1.00 0.00 N ATOM 1255 NH2 ARG A 76 4.195 1.977 9.468 1.00 0.00 N ATOM 0 H ARG A 76 6.276 0.422 3.645 1.00 0.00 H new ATOM 0 HA ARG A 76 3.809 -1.089 4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.781 1.730 4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.188 1.487 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.130 2.057 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.343 0.537 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.439 -0.712 6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.243 0.805 6.703 1.00 0.00 H new ATOM 0 HE ARG A 76 3.350 -0.518 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.637 1.791 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.093 3.060 8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.038 1.457 9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.002 2.873 9.916 1.00 0.00 H new ATOM 1269 N LYS A 77 3.019 -1.563 2.267 1.00 0.00 N ATOM 1270 CA LYS A 77 2.592 -1.890 0.876 1.00 0.00 C ATOM 1271 C LYS A 77 1.094 -1.630 0.698 1.00 0.00 C ATOM 1272 O LYS A 77 0.275 -2.096 1.466 1.00 0.00 O ATOM 1273 CB LYS A 77 2.906 -3.377 0.712 1.00 0.00 C ATOM 1274 CG LYS A 77 2.497 -3.840 -0.688 1.00 0.00 C ATOM 1275 CD LYS A 77 3.129 -5.204 -0.975 1.00 0.00 C ATOM 1276 CE LYS A 77 2.450 -5.839 -2.191 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.690 -7.302 -2.043 1.00 0.00 N ATOM 0 H LYS A 77 2.579 -2.120 2.999 1.00 0.00 H new ATOM 0 HA LYS A 77 3.103 -1.278 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.970 -3.553 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.374 -3.956 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.411 -3.907 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.820 -3.113 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.197 -5.089 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.025 -5.854 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.384 -5.613 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.873 -5.461 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.839 -7.825 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.492 -7.585 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.907 -7.519 -1.049 1.00 0.00 H new ATOM 1291 N LYS A 78 0.731 -0.892 -0.316 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.712 -0.604 -0.555 1.00 0.00 C ATOM 1293 C LYS A 78 -1.235 -1.503 -1.680 1.00 0.00 C ATOM 1294 O LYS A 78 -0.488 -1.905 -2.544 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.760 0.866 -0.974 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.398 1.695 0.143 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.609 2.450 -0.408 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.488 3.934 -0.059 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.996 4.582 -1.308 1.00 0.00 N ATOM 0 H LYS A 78 1.373 -0.475 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.329 -0.792 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.247 1.229 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.334 0.974 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.704 1.045 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.671 2.399 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.669 2.324 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.528 2.041 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.449 4.347 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.794 4.090 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.887 5.604 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.077 4.173 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.680 4.422 -2.075 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.502 -1.841 -1.674 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.034 -2.731 -2.754 1.00 0.00 C ATOM 1315 C ALA A 79 -4.287 -2.159 -3.400 1.00 0.00 C ATOM 1316 O ALA A 79 -5.226 -1.790 -2.731 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.391 -4.036 -2.065 1.00 0.00 C ATOM 0 H ALA A 79 -3.184 -1.543 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.293 -2.848 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.788 -4.738 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.499 -4.460 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.142 -3.849 -1.298 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.324 -2.128 -4.701 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.535 -1.622 -5.397 1.00 0.00 C ATOM 1325 C ILE A 80 -6.231 -2.787 -6.094 1.00 0.00 C ATOM 1326 O ILE A 80 -5.722 -3.352 -7.040 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.029 -0.600 -6.411 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.695 0.705 -5.690 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.119 -0.335 -7.450 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.683 0.439 -4.577 1.00 0.00 C ATOM 0 H ILE A 80 -3.566 -2.432 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.255 -1.169 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.137 -0.986 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.289 1.428 -6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.602 1.142 -5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.760 0.395 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.367 -1.265 -7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.008 0.054 -6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.449 1.373 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.105 -0.268 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.772 0.022 -5.006 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.384 -3.157 -5.622 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.114 -4.304 -6.242 1.00 0.00 C ATOM 1344 C VAL A 81 -9.302 -3.800 -7.062 1.00 0.00 C ATOM 1345 O VAL A 81 -10.070 -2.975 -6.611 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.609 -5.152 -5.065 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.916 -6.570 -5.552 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.537 -5.211 -3.971 1.00 0.00 C ATOM 0 H VAL A 81 -7.857 -2.717 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.475 -4.873 -6.918 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.512 -4.699 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.268 -7.174 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.687 -6.531 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.012 -7.016 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.899 -5.816 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.628 -5.657 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.321 -4.202 -3.619 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.476 -4.299 -8.256 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.626 -3.852 -9.076 1.00 0.00 C ATOM 1360 C GLN A 82 -11.529 -5.039 -9.332 1.00 0.00 C ATOM 1361 O GLN A 82 -11.082 -6.168 -9.362 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.011 -3.362 -10.383 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.105 -3.115 -11.425 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.586 -1.666 -11.320 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -12.545 -1.370 -10.488 1.00 0.00 O flip ATOM 1366 NE2 GLN A 82 -11.083 -0.796 -12.003 1.00 0.00 N flip ATOM 0 H GLN A 82 -8.871 -4.994 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.219 -3.074 -8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.452 -2.443 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.302 -4.100 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.721 -3.311 -12.426 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.938 -3.799 -11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.333 -1.028 -12.654 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.411 0.167 -11.926 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.786 -4.815 -9.535 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.661 -5.967 -9.813 1.00 0.00 C ATOM 1377 C VAL A 83 -14.285 -5.816 -11.190 1.00 0.00 C ATOM 1378 O VAL A 83 -14.409 -4.730 -11.719 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.728 -5.991 -8.723 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.086 -5.692 -7.369 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.800 -4.945 -9.024 1.00 0.00 C ATOM 0 H VAL A 83 -13.239 -3.901 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.103 -6.903 -9.810 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.189 -6.979 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.850 -5.710 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.329 -6.446 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.620 -4.707 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.559 -4.967 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.343 -3.956 -9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.263 -5.165 -9.986 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.665 -6.901 -11.774 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.271 -6.843 -13.125 1.00 0.00 C ATOM 1393 C ALA A 84 -16.403 -5.819 -13.170 1.00 0.00 C ATOM 1394 O ALA A 84 -16.774 -5.245 -12.164 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.796 -8.247 -13.358 1.00 0.00 C ATOM 0 H ALA A 84 -14.583 -7.836 -11.375 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.559 -6.534 -13.890 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.265 -8.302 -14.340 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.970 -8.957 -13.311 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.530 -8.493 -12.591 1.00 0.00 H new ATOM 1401 N PRO A 85 -16.906 -5.623 -14.354 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.004 -4.656 -14.577 1.00 0.00 C ATOM 1403 C PRO A 85 -19.338 -5.238 -14.106 1.00 0.00 C ATOM 1404 O PRO A 85 -20.294 -5.312 -14.852 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.000 -4.459 -16.089 1.00 0.00 C ATOM 1406 CG PRO A 85 -17.387 -5.696 -16.650 1.00 0.00 C ATOM 1407 CD PRO A 85 -16.494 -6.291 -15.589 1.00 0.00 C ATOM 0 HA PRO A 85 -17.873 -3.724 -14.028 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.012 -4.315 -16.469 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.426 -3.575 -16.368 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.160 -6.407 -16.941 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.813 -5.465 -17.547 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.624 -7.371 -15.520 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -15.442 -6.110 -15.807 1.00 0.00 H new ATOM 1415 N GLY A 86 -19.409 -5.650 -12.871 1.00 0.00 N ATOM 1416 CA GLY A 86 -20.682 -6.225 -12.350 1.00 0.00 C ATOM 1417 C GLY A 86 -20.645 -6.254 -10.822 1.00 0.00 C ATOM 1418 O GLY A 86 -21.562 -5.807 -10.160 1.00 0.00 O ATOM 0 H GLY A 86 -18.642 -5.614 -12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -21.528 -5.629 -12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -20.824 -7.233 -12.739 1.00 0.00 H new ATOM 1422 N GLN A 87 -19.596 -6.782 -10.254 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.502 -6.848 -8.768 1.00 0.00 C ATOM 1424 C GLN A 87 -19.770 -5.482 -8.141 1.00 0.00 C ATOM 1425 O GLN A 87 -20.147 -4.537 -8.806 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.062 -7.275 -8.494 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.841 -8.753 -8.863 1.00 0.00 C ATOM 1428 CD GLN A 87 -19.022 -9.323 -9.662 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -19.132 -9.096 -10.851 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -19.911 -10.057 -9.052 1.00 0.00 N ATOM 0 H GLN A 87 -18.798 -7.171 -10.756 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.235 -7.534 -8.344 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.379 -6.648 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.828 -7.121 -7.440 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.926 -8.849 -9.448 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.701 -9.338 -7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.818 -10.247 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -20.699 -10.441 -9.573 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.570 -5.378 -6.857 1.00 0.00 N ATOM 1440 CA LYS A 88 -19.804 -4.078 -6.163 1.00 0.00 C ATOM 1441 C LYS A 88 -19.518 -4.220 -4.665 1.00 0.00 C ATOM 1442 O LYS A 88 -20.401 -4.511 -3.883 1.00 0.00 O ATOM 1443 CB LYS A 88 -21.281 -3.758 -6.400 1.00 0.00 C ATOM 1444 CG LYS A 88 -22.140 -4.932 -5.928 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.995 -4.492 -4.738 1.00 0.00 C ATOM 1446 CE LYS A 88 -24.461 -4.840 -5.004 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.624 -6.230 -4.497 1.00 0.00 N ATOM 0 H LYS A 88 -19.254 -6.139 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 88 -19.153 -3.288 -6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -21.558 -2.851 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -21.457 -3.567 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -22.779 -5.279 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.504 -5.770 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -22.653 -4.986 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.889 -3.419 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -25.130 -4.151 -4.489 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -24.695 -4.777 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.606 -6.540 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.979 -6.865 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -24.401 -6.258 -3.482 1.00 0.00 H new ATOM 1461 N ILE A 89 -18.294 -4.020 -4.259 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.962 -4.147 -2.810 1.00 0.00 C ATOM 1463 C ILE A 89 -18.614 -3.008 -2.017 1.00 0.00 C ATOM 1464 O ILE A 89 -18.218 -1.863 -2.117 1.00 0.00 O ATOM 1465 CB ILE A 89 -16.438 -4.052 -2.738 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.824 -5.370 -3.224 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -16.014 -3.791 -1.290 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -14.346 -5.427 -2.836 1.00 0.00 C ATOM 0 H ILE A 89 -17.511 -3.775 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 89 -18.328 -5.081 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.091 -3.235 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.357 -6.214 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.929 -5.454 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.927 -3.723 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -16.454 -2.855 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -16.358 -4.609 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.914 -6.366 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.817 -4.592 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.252 -5.364 -1.752 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.612 -3.316 -1.235 1.00 0.00 N ATOM 1481 CA GLU A 90 -20.296 -2.256 -0.439 1.00 0.00 C ATOM 1482 C GLU A 90 -19.466 -1.890 0.797 1.00 0.00 C ATOM 1483 O GLU A 90 -19.705 -0.889 1.443 1.00 0.00 O ATOM 1484 CB GLU A 90 -21.629 -2.878 -0.019 1.00 0.00 C ATOM 1485 CG GLU A 90 -22.479 -3.151 -1.262 1.00 0.00 C ATOM 1486 CD GLU A 90 -23.847 -2.486 -1.102 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.957 -1.591 -0.280 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -24.762 -2.881 -1.805 1.00 0.00 O ATOM 0 H GLU A 90 -19.984 -4.258 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 90 -20.430 -1.338 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.454 -3.806 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -22.159 -2.207 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -21.978 -2.766 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.599 -4.225 -1.404 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.502 -2.700 1.135 1.00 0.00 N ATOM 1496 CA ALA A 91 -17.664 -2.410 2.335 1.00 0.00 C ATOM 1497 C ALA A 91 -17.016 -1.024 2.235 1.00 0.00 C ATOM 1498 O ALA A 91 -16.811 -0.356 3.230 1.00 0.00 O ATOM 1499 CB ALA A 91 -16.593 -3.500 2.337 1.00 0.00 C ATOM 0 H ALA A 91 -18.257 -3.553 0.632 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.256 -2.406 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.932 -3.359 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.069 -4.478 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.013 -3.442 1.416 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.682 -0.586 1.052 1.00 0.00 N ATOM 1506 CA LEU A 92 -16.036 0.758 0.916 1.00 0.00 C ATOM 1507 C LEU A 92 -17.031 1.764 0.339 1.00 0.00 C ATOM 1508 O LEU A 92 -16.895 2.958 0.517 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.855 0.583 -0.057 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.428 -0.884 -0.135 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.159 -1.004 -0.981 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.151 -1.405 1.276 1.00 0.00 C ATOM 0 H LEU A 92 -16.825 -1.093 0.178 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.703 1.130 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.139 0.937 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.014 1.194 0.271 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.224 -1.471 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.856 -2.050 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.355 -0.630 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.361 -0.418 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.846 -2.450 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.354 -0.817 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.055 -1.320 1.879 1.00 0.00 H new ATOM 1524 N GLU A 93 -18.027 1.295 -0.358 1.00 0.00 N ATOM 1525 CA GLU A 93 -19.020 2.233 -0.947 1.00 0.00 C ATOM 1526 C GLU A 93 -19.749 2.996 0.161 1.00 0.00 C ATOM 1527 O GLU A 93 -20.280 4.067 -0.054 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.993 1.347 -1.723 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.665 1.413 -3.216 1.00 0.00 C ATOM 1530 CD GLU A 93 -20.559 2.455 -3.889 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -21.755 2.418 -3.657 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -20.032 3.271 -4.626 1.00 0.00 O ATOM 0 H GLU A 93 -18.196 0.307 -0.545 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.552 2.980 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.925 0.318 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -21.018 1.676 -1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.616 1.673 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.817 0.437 -3.676 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.780 2.451 1.346 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.473 3.142 2.470 1.00 0.00 C ATOM 1541 C GLY A 94 -19.446 3.565 3.522 1.00 0.00 C ATOM 1542 O GLY A 94 -19.652 4.509 4.260 1.00 0.00 O ATOM 0 H GLY A 94 -19.355 1.555 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.009 4.015 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -21.214 2.479 2.916 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.342 2.873 3.599 1.00 0.00 N ATOM 1547 CA LEU A 95 -17.302 3.237 4.605 1.00 0.00 C ATOM 1548 C LEU A 95 -17.120 4.757 4.648 1.00 0.00 C ATOM 1549 O LEU A 95 -16.737 5.317 5.657 1.00 0.00 O ATOM 1550 CB LEU A 95 -16.023 2.557 4.116 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.143 2.201 5.315 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.805 1.080 6.119 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.773 1.731 4.822 1.00 0.00 C ATOM 0 H LEU A 95 -18.115 2.072 3.010 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.571 2.920 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.270 1.657 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.483 3.219 3.439 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.020 3.080 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -15.178 0.826 6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.781 1.413 6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.928 0.202 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.146 1.477 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.896 0.852 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.300 2.528 4.249 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.392 5.428 3.563 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.235 6.910 3.542 1.00 0.00 C ATOM 1567 C ILE A 96 -17.919 7.532 4.763 1.00 0.00 C ATOM 1568 O ILE A 96 -17.632 8.681 5.056 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.922 7.361 2.255 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.060 6.967 1.053 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.101 8.880 2.274 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.919 6.972 -0.215 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.716 6.849 5.383 1.00 0.00 O ATOM 0 H ILE A 96 -17.717 5.014 2.689 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.189 7.216 3.575 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.898 6.881 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.228 7.663 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.629 5.978 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.591 9.200 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.714 9.163 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.126 9.360 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.306 6.692 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.735 6.258 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.328 7.970 -0.373 1.00 0.00 H new TER 1585 ILE A 96