USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 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 35 ASN : amide:sc= -2.52! K(o=-2.6!,f=-0.55) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -134:sc= -0.0465 (180deg=-0.111) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc=-0.00796 (180deg=-0.114) USER MOD Single : A 4 THR OG1 : rot -47:sc= 1.22 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 76:sc= 0.0551 USER MOD Single : A 16 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.71) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 101:sc= 1.22 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 25 MET CE :methyl -168:sc= -2.5 (180deg=-3.44!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.11 (180deg=-0.722) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0678 K(o=0.068,f=-3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.172) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.468 K(o=-0.47,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0823 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.9! C(o=-2.9!,f=-2.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.137 -1.591 -6.775 1.00 0.00 N ATOM 2 CA MET A 1 9.321 -0.394 -6.941 1.00 0.00 C ATOM 3 C MET A 1 8.424 -0.513 -8.170 1.00 0.00 C ATOM 4 O MET A 1 8.408 0.371 -9.026 1.00 0.00 O ATOM 5 CB MET A 1 10.211 0.844 -7.064 1.00 0.00 C ATOM 6 CG MET A 1 11.267 0.728 -8.151 1.00 0.00 C ATOM 7 SD MET A 1 12.104 2.292 -8.476 1.00 0.00 S ATOM 8 CE MET A 1 13.251 1.801 -9.761 1.00 0.00 C ATOM 0 H1 MET A 1 10.832 -1.435 -6.018 1.00 0.00 H new ATOM 0 H2 MET A 1 9.527 -2.395 -6.524 1.00 0.00 H new ATOM 0 H3 MET A 1 10.634 -1.798 -7.665 1.00 0.00 H new ATOM 0 HA MET A 1 8.688 -0.292 -6.059 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.585 1.713 -7.268 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.703 1.024 -6.108 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.004 -0.020 -7.858 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.800 0.373 -9.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.843 2.663 -10.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.913 1.023 -9.380 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.696 1.418 -10.617 1.00 0.00 H new ATOM 18 N ASP A 2 7.681 -1.612 -8.250 1.00 0.00 N ATOM 19 CA ASP A 2 6.782 -1.846 -9.374 1.00 0.00 C ATOM 20 C ASP A 2 5.353 -2.067 -8.889 1.00 0.00 C ATOM 21 O ASP A 2 4.799 -3.155 -9.036 1.00 0.00 O ATOM 22 CB ASP A 2 7.250 -3.055 -10.186 1.00 0.00 C ATOM 23 CG ASP A 2 6.711 -3.044 -11.603 1.00 0.00 C ATOM 24 OD1 ASP A 2 6.525 -1.942 -12.159 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.475 -4.139 -12.155 1.00 0.00 O ATOM 0 H ASP A 2 7.684 -2.354 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 2 6.799 -0.962 -10.011 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.340 -3.070 -10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.932 -3.970 -9.686 1.00 0.00 H new ATOM 30 N GLU A 3 4.763 -1.026 -8.309 1.00 0.00 N ATOM 31 CA GLU A 3 3.398 -1.108 -7.801 1.00 0.00 C ATOM 32 C GLU A 3 2.636 0.185 -8.078 1.00 0.00 C ATOM 33 O GLU A 3 2.158 0.848 -7.156 1.00 0.00 O ATOM 34 CB GLU A 3 3.407 -1.396 -6.298 1.00 0.00 C ATOM 35 CG GLU A 3 4.194 -0.380 -5.488 1.00 0.00 C ATOM 36 CD GLU A 3 5.573 -0.882 -5.105 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.703 -2.085 -4.798 1.00 0.00 O ATOM 38 OE2 GLU A 3 6.523 -0.070 -5.114 1.00 0.00 O ATOM 0 H GLU A 3 5.208 -0.117 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 3 2.893 -1.924 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.379 -1.420 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.828 -2.387 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.293 0.540 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.638 -0.132 -4.584 1.00 0.00 H new ATOM 45 N THR A 4 2.527 0.539 -9.354 1.00 0.00 N ATOM 46 CA THR A 4 1.826 1.752 -9.754 1.00 0.00 C ATOM 47 C THR A 4 0.937 1.500 -10.966 1.00 0.00 C ATOM 48 O THR A 4 0.564 2.430 -11.679 1.00 0.00 O ATOM 49 CB THR A 4 2.812 2.889 -10.083 1.00 0.00 C ATOM 50 OG1 THR A 4 2.092 4.079 -10.423 1.00 0.00 O ATOM 51 CG2 THR A 4 3.725 2.497 -11.235 1.00 0.00 C ATOM 0 H THR A 4 2.916 0.002 -10.129 1.00 0.00 H new ATOM 0 HA THR A 4 1.207 2.051 -8.908 1.00 0.00 H new ATOM 0 HB THR A 4 3.425 3.075 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.379 3.860 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.412 3.315 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.293 1.608 -10.962 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.124 2.287 -12.120 1.00 0.00 H new ATOM 59 N GLY A 5 0.599 0.234 -11.193 1.00 0.00 N ATOM 60 CA GLY A 5 -0.244 -0.118 -12.320 1.00 0.00 C ATOM 61 C GLY A 5 -1.717 0.096 -12.032 1.00 0.00 C ATOM 62 O GLY A 5 -2.553 0.008 -12.931 1.00 0.00 O ATOM 0 H GLY A 5 0.894 -0.554 -10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.044 0.479 -13.186 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.076 -1.162 -12.583 1.00 0.00 H new ATOM 66 N LYS A 6 -2.036 0.377 -10.773 1.00 0.00 N ATOM 67 CA LYS A 6 -3.418 0.605 -10.366 1.00 0.00 C ATOM 68 C LYS A 6 -3.817 2.061 -10.585 1.00 0.00 C ATOM 69 O LYS A 6 -4.500 2.387 -11.554 1.00 0.00 O ATOM 70 CB LYS A 6 -3.607 0.228 -8.895 1.00 0.00 C ATOM 71 CG LYS A 6 -3.443 -1.257 -8.621 1.00 0.00 C ATOM 72 CD LYS A 6 -4.420 -2.085 -9.439 1.00 0.00 C ATOM 73 CE LYS A 6 -5.003 -3.227 -8.620 1.00 0.00 C ATOM 74 NZ LYS A 6 -5.476 -4.344 -9.485 1.00 0.00 N ATOM 0 H LYS A 6 -1.356 0.452 -10.016 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.060 -0.025 -10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.888 0.782 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.600 0.541 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.423 -1.561 -8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.599 -1.452 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.226 -1.447 -9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.913 -2.487 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.249 -3.599 -7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.833 -2.856 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.866 -5.103 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.214 -3.995 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.679 -4.715 -10.040 1.00 0.00 H new ATOM 88 N GLU A 7 -3.383 2.931 -9.678 1.00 0.00 N ATOM 89 CA GLU A 7 -3.696 4.352 -9.773 1.00 0.00 C ATOM 90 C GLU A 7 -3.120 5.117 -8.584 1.00 0.00 C ATOM 91 O GLU A 7 -3.780 5.278 -7.557 1.00 0.00 O ATOM 92 CB GLU A 7 -5.210 4.561 -9.843 1.00 0.00 C ATOM 93 CG GLU A 7 -5.697 5.029 -11.204 1.00 0.00 C ATOM 94 CD GLU A 7 -6.910 4.258 -11.687 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.893 4.158 -10.924 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.875 3.753 -12.829 1.00 0.00 O ATOM 0 H GLU A 7 -2.814 2.677 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.241 4.737 -10.686 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.710 3.626 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.503 5.293 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.942 6.090 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.891 4.923 -11.930 1.00 0.00 H new ATOM 103 N LEU A 8 -1.886 5.585 -8.731 1.00 0.00 N ATOM 104 CA LEU A 8 -1.220 6.333 -7.670 1.00 0.00 C ATOM 105 C LEU A 8 -1.452 7.831 -7.832 1.00 0.00 C ATOM 106 O LEU A 8 -1.464 8.352 -8.947 1.00 0.00 O ATOM 107 CB LEU A 8 0.280 6.034 -7.674 1.00 0.00 C ATOM 108 CG LEU A 8 0.739 4.888 -6.771 1.00 0.00 C ATOM 109 CD1 LEU A 8 0.456 5.211 -5.313 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.058 3.588 -7.173 1.00 0.00 C ATOM 0 H LEU A 8 -1.326 5.460 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.644 6.020 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.582 5.808 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.811 6.938 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 8 1.815 4.764 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.789 4.384 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.990 6.118 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.615 5.362 -5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.396 2.783 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.022 3.700 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.312 3.348 -8.206 1.00 0.00 H new ATOM 122 N VAL A 9 -1.636 8.521 -6.710 1.00 0.00 N ATOM 123 CA VAL A 9 -1.864 9.961 -6.726 1.00 0.00 C ATOM 124 C VAL A 9 -0.891 10.682 -5.801 1.00 0.00 C ATOM 125 O VAL A 9 -0.560 10.187 -4.723 1.00 0.00 O ATOM 126 CB VAL A 9 -3.306 10.305 -6.307 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.298 9.811 -7.349 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.618 9.716 -4.940 1.00 0.00 C ATOM 0 H VAL A 9 -1.632 8.105 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.702 10.296 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.397 11.389 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.311 10.063 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.086 10.286 -8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.209 8.730 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.641 9.969 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.509 8.632 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.928 10.124 -4.202 1.00 0.00 H new ATOM 138 N LEU A 10 -0.437 11.855 -6.227 1.00 0.00 N ATOM 139 CA LEU A 10 0.499 12.647 -5.436 1.00 0.00 C ATOM 140 C LEU A 10 -0.186 13.881 -4.858 1.00 0.00 C ATOM 141 O LEU A 10 -1.041 14.488 -5.501 1.00 0.00 O ATOM 142 CB LEU A 10 1.694 13.067 -6.293 1.00 0.00 C ATOM 143 CG LEU A 10 2.694 14.016 -5.631 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.636 13.246 -4.719 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.478 14.784 -6.685 1.00 0.00 C ATOM 0 H LEU A 10 -0.702 12.279 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 10 0.852 12.029 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.227 12.168 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.317 13.542 -7.199 1.00 0.00 H new ATOM 0 HG LEU A 10 2.140 14.733 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.341 13.937 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.060 12.742 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.184 12.506 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.185 15.454 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.022 14.082 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.790 15.366 -7.298 1.00 0.00 H new ATOM 157 N ALA A 11 0.199 14.248 -3.639 1.00 0.00 N ATOM 158 CA ALA A 11 -0.375 15.413 -2.976 1.00 0.00 C ATOM 159 C ALA A 11 0.436 16.669 -3.273 1.00 0.00 C ATOM 160 O ALA A 11 1.637 16.723 -3.005 1.00 0.00 O ATOM 161 CB ALA A 11 -0.457 15.178 -1.475 1.00 0.00 C ATOM 0 H ALA A 11 0.905 13.756 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.382 15.562 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.887 16.055 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.085 14.310 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.543 15.000 -1.079 1.00 0.00 H new ATOM 167 N LEU A 12 -0.226 17.677 -3.830 1.00 0.00 N ATOM 168 CA LEU A 12 0.435 18.934 -4.164 1.00 0.00 C ATOM 169 C LEU A 12 0.446 19.880 -2.967 1.00 0.00 C ATOM 170 O LEU A 12 1.378 20.663 -2.791 1.00 0.00 O ATOM 171 CB LEU A 12 -0.266 19.602 -5.349 1.00 0.00 C ATOM 172 CG LEU A 12 -0.312 18.792 -6.645 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.903 19.623 -7.773 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.080 18.300 -7.016 1.00 0.00 C ATOM 0 H LEU A 12 -1.219 17.649 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 12 1.467 18.712 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.289 19.837 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.233 20.549 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.952 17.924 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.928 19.030 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.916 19.926 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.289 20.510 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.028 17.725 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.742 19.154 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.467 17.668 -6.217 1.00 0.00 H new ATOM 186 N TYR A 13 -0.596 19.798 -2.146 1.00 0.00 N ATOM 187 CA TYR A 13 -0.706 20.646 -0.965 1.00 0.00 C ATOM 188 C TYR A 13 -0.762 19.805 0.306 1.00 0.00 C ATOM 189 O TYR A 13 -0.888 18.582 0.249 1.00 0.00 O ATOM 190 CB TYR A 13 -1.951 21.530 -1.061 1.00 0.00 C ATOM 191 CG TYR A 13 -1.926 22.488 -2.231 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.293 22.070 -3.504 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.535 23.810 -2.062 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.270 22.942 -4.575 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.511 24.689 -3.128 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.879 24.250 -4.382 1.00 0.00 C ATOM 197 OH TYR A 13 -1.856 25.122 -5.447 1.00 0.00 O ATOM 0 H TYR A 13 -1.376 19.153 -2.277 1.00 0.00 H new ATOM 0 HA TYR A 13 0.179 21.280 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.832 20.894 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.053 22.100 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.601 21.047 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.245 24.157 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.557 22.601 -5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.206 25.714 -2.980 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.559 26.004 -5.141 1.00 0.00 H new ATOM 207 N ASP A 14 -0.668 20.470 1.452 1.00 0.00 N ATOM 208 CA ASP A 14 -0.710 19.786 2.739 1.00 0.00 C ATOM 209 C ASP A 14 -2.147 19.631 3.226 1.00 0.00 C ATOM 210 O ASP A 14 -2.954 20.554 3.115 1.00 0.00 O ATOM 211 CB ASP A 14 0.113 20.553 3.775 1.00 0.00 C ATOM 212 CG ASP A 14 -0.674 21.674 4.425 1.00 0.00 C ATOM 213 OD1 ASP A 14 -1.144 22.571 3.693 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.821 21.654 5.665 1.00 0.00 O ATOM 0 H ASP A 14 -0.562 21.482 1.516 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.281 18.792 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.458 19.862 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.001 20.966 3.296 1.00 0.00 H new ATOM 219 N TYR A 15 -2.460 18.457 3.764 1.00 0.00 N ATOM 220 CA TYR A 15 -3.801 18.180 4.265 1.00 0.00 C ATOM 221 C TYR A 15 -3.743 17.473 5.616 1.00 0.00 C ATOM 222 O TYR A 15 -2.717 16.901 5.985 1.00 0.00 O ATOM 223 CB TYR A 15 -4.576 17.324 3.262 1.00 0.00 C ATOM 224 CG TYR A 15 -6.064 17.281 3.526 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.883 18.348 3.176 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.652 16.174 4.125 1.00 0.00 C ATOM 227 CE1 TYR A 15 -8.243 18.313 3.416 1.00 0.00 C ATOM 228 CE2 TYR A 15 -8.011 16.129 4.367 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.803 17.201 4.011 1.00 0.00 C ATOM 230 OH TYR A 15 -10.157 17.162 4.251 1.00 0.00 O ATOM 0 H TYR A 15 -1.804 17.683 3.864 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.316 19.132 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.405 17.711 2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.182 16.308 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.449 19.219 2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.035 15.333 4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.865 19.152 3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.451 15.259 4.832 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.633 16.988 3.412 1.00 0.00 H new ATOM 240 N GLN A 16 -4.852 17.515 6.347 1.00 0.00 N ATOM 241 CA GLN A 16 -4.927 16.879 7.657 1.00 0.00 C ATOM 242 C GLN A 16 -6.220 16.082 7.801 1.00 0.00 C ATOM 243 O GLN A 16 -7.245 16.435 7.219 1.00 0.00 O ATOM 244 CB GLN A 16 -4.836 17.930 8.764 1.00 0.00 C ATOM 245 CG GLN A 16 -6.032 18.867 8.814 1.00 0.00 C ATOM 246 CD GLN A 16 -6.030 19.875 7.681 1.00 0.00 C ATOM 247 OE1 GLN A 16 -5.250 20.828 7.683 1.00 0.00 O ATOM 248 NE2 GLN A 16 -6.906 19.670 6.704 1.00 0.00 N ATOM 0 H GLN A 16 -5.710 17.982 6.055 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.086 16.192 7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.740 17.425 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.930 18.519 8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.950 18.281 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.035 19.397 9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.534 18.867 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.951 20.315 5.915 1.00 0.00 H new ATOM 257 N GLU A 17 -6.163 15.006 8.580 1.00 0.00 N ATOM 258 CA GLU A 17 -7.329 14.159 8.799 1.00 0.00 C ATOM 259 C GLU A 17 -7.920 14.395 10.186 1.00 0.00 C ATOM 260 O GLU A 17 -7.221 14.302 11.195 1.00 0.00 O ATOM 261 CB GLU A 17 -6.955 12.685 8.635 1.00 0.00 C ATOM 262 CG GLU A 17 -5.941 12.198 9.657 1.00 0.00 C ATOM 263 CD GLU A 17 -6.587 11.458 10.812 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.756 11.761 11.131 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.924 10.576 11.398 1.00 0.00 O ATOM 0 H GLU A 17 -5.322 14.701 9.070 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.081 14.420 8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.857 12.079 8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.553 12.530 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.222 11.542 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.382 13.050 10.043 1.00 0.00 H new ATOM 272 N LYS A 18 -9.212 14.701 10.228 1.00 0.00 N ATOM 273 CA LYS A 18 -9.900 14.949 11.490 1.00 0.00 C ATOM 274 C LYS A 18 -10.530 13.668 12.027 1.00 0.00 C ATOM 275 O LYS A 18 -10.488 13.402 13.228 1.00 0.00 O ATOM 276 CB LYS A 18 -10.976 16.021 11.305 1.00 0.00 C ATOM 277 CG LYS A 18 -11.875 16.196 12.517 1.00 0.00 C ATOM 278 CD LYS A 18 -11.098 16.708 13.718 1.00 0.00 C ATOM 279 CE LYS A 18 -11.681 16.188 15.023 1.00 0.00 C ATOM 280 NZ LYS A 18 -12.666 17.139 15.609 1.00 0.00 N ATOM 0 H LYS A 18 -9.805 14.783 9.402 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.165 15.302 12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.494 16.972 11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.590 15.763 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.678 16.893 12.278 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.343 15.243 12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.056 16.400 13.636 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.109 17.798 13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.164 15.227 14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.876 16.014 15.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.040 16.748 16.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.199 18.048 15.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.448 17.286 14.939 1.00 0.00 H new ATOM 294 N SER A 19 -11.112 12.879 11.131 1.00 0.00 N ATOM 295 CA SER A 19 -11.753 11.627 11.516 1.00 0.00 C ATOM 296 C SER A 19 -10.850 10.437 11.208 1.00 0.00 C ATOM 297 O SER A 19 -9.918 10.523 10.408 1.00 0.00 O ATOM 298 CB SER A 19 -13.090 11.469 10.789 1.00 0.00 C ATOM 299 OG SER A 19 -13.478 12.681 10.165 1.00 0.00 O ATOM 0 H SER A 19 -11.153 13.084 10.133 1.00 0.00 H new ATOM 0 HA SER A 19 -11.933 11.655 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.010 10.681 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.858 11.159 11.497 1.00 0.00 H new ATOM 0 HG SER A 19 -13.270 12.638 9.208 1.00 0.00 H new ATOM 305 N PRO A 20 -11.131 9.298 11.858 1.00 0.00 N ATOM 306 CA PRO A 20 -10.357 8.067 11.670 1.00 0.00 C ATOM 307 C PRO A 20 -10.574 7.450 10.293 1.00 0.00 C ATOM 308 O PRO A 20 -9.886 6.503 9.911 1.00 0.00 O ATOM 309 CB PRO A 20 -10.894 7.140 12.762 1.00 0.00 C ATOM 310 CG PRO A 20 -12.273 7.635 13.035 1.00 0.00 C ATOM 311 CD PRO A 20 -12.227 9.123 12.825 1.00 0.00 C ATOM 0 HA PRO A 20 -9.284 8.247 11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.905 6.102 12.430 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.274 7.182 13.657 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.995 7.168 12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.580 7.394 14.053 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.171 9.503 12.435 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.030 9.654 13.756 1.00 0.00 H new ATOM 319 N ARG A 21 -11.534 7.992 9.551 1.00 0.00 N ATOM 320 CA ARG A 21 -11.842 7.494 8.216 1.00 0.00 C ATOM 321 C ARG A 21 -10.949 8.156 7.170 1.00 0.00 C ATOM 322 O ARG A 21 -10.773 7.632 6.070 1.00 0.00 O ATOM 323 CB ARG A 21 -13.313 7.747 7.880 1.00 0.00 C ATOM 324 CG ARG A 21 -14.172 6.494 7.929 1.00 0.00 C ATOM 325 CD ARG A 21 -15.611 6.790 7.537 1.00 0.00 C ATOM 326 NE ARG A 21 -16.399 5.570 7.385 1.00 0.00 N ATOM 327 CZ ARG A 21 -17.722 5.560 7.260 1.00 0.00 C ATOM 328 NH1 ARG A 21 -18.400 6.699 7.269 1.00 0.00 N ATOM 329 NH2 ARG A 21 -18.368 4.409 7.125 1.00 0.00 N ATOM 0 H ARG A 21 -12.112 8.777 9.852 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.654 6.420 8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.716 8.481 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.380 8.184 6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.758 5.741 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.147 6.073 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.070 7.426 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.624 7.349 6.601 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.907 4.677 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.906 7.586 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.415 6.689 7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.849 3.531 7.117 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.383 4.402 7.029 1.00 0.00 H new ATOM 343 N GLU A 22 -10.390 9.310 7.521 1.00 0.00 N ATOM 344 CA GLU A 22 -9.518 10.043 6.611 1.00 0.00 C ATOM 345 C GLU A 22 -8.050 9.790 6.943 1.00 0.00 C ATOM 346 O GLU A 22 -7.725 9.239 7.995 1.00 0.00 O ATOM 347 CB GLU A 22 -9.816 11.542 6.680 1.00 0.00 C ATOM 348 CG GLU A 22 -11.118 11.935 6.002 1.00 0.00 C ATOM 349 CD GLU A 22 -12.340 11.500 6.788 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.820 10.370 6.563 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.815 12.291 7.630 1.00 0.00 O ATOM 0 H GLU A 22 -10.525 9.757 8.428 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.711 9.688 5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.853 11.849 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.995 12.089 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.142 13.017 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.154 11.491 5.007 1.00 0.00 H new ATOM 358 N VAL A 23 -7.166 10.196 6.037 1.00 0.00 N ATOM 359 CA VAL A 23 -5.732 10.015 6.232 1.00 0.00 C ATOM 360 C VAL A 23 -4.985 11.335 6.078 1.00 0.00 C ATOM 361 O VAL A 23 -5.409 12.218 5.332 1.00 0.00 O ATOM 362 CB VAL A 23 -5.155 8.991 5.236 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.798 7.628 5.439 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.347 9.474 3.806 1.00 0.00 C ATOM 0 H VAL A 23 -7.418 10.653 5.160 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.595 9.641 7.246 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.085 8.892 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.378 6.918 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.604 7.282 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.874 7.706 5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.934 8.739 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.411 9.603 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.834 10.426 3.672 1.00 0.00 H new ATOM 374 N THR A 24 -3.869 11.463 6.789 1.00 0.00 N ATOM 375 CA THR A 24 -3.062 12.676 6.732 1.00 0.00 C ATOM 376 C THR A 24 -2.063 12.618 5.583 1.00 0.00 C ATOM 377 O THR A 24 -1.247 11.700 5.503 1.00 0.00 O ATOM 378 CB THR A 24 -2.299 12.904 8.050 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.224 13.051 9.134 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.418 14.142 7.958 1.00 0.00 C ATOM 0 H THR A 24 -3.503 10.742 7.411 1.00 0.00 H new ATOM 0 HA THR A 24 -3.749 13.506 6.570 1.00 0.00 H new ATOM 0 HB THR A 24 -1.664 12.037 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.730 13.194 9.968 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.889 14.283 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.696 14.015 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.038 15.015 7.756 1.00 0.00 H new ATOM 388 N MET A 25 -2.133 13.603 4.694 1.00 0.00 N ATOM 389 CA MET A 25 -1.232 13.665 3.549 1.00 0.00 C ATOM 390 C MET A 25 -0.559 15.031 3.459 1.00 0.00 C ATOM 391 O MET A 25 -1.138 16.046 3.847 1.00 0.00 O ATOM 392 CB MET A 25 -1.996 13.374 2.256 1.00 0.00 C ATOM 393 CG MET A 25 -3.170 14.310 2.020 1.00 0.00 C ATOM 394 SD MET A 25 -3.905 14.103 0.386 1.00 0.00 S ATOM 395 CE MET A 25 -4.707 15.690 0.173 1.00 0.00 C ATOM 0 H MET A 25 -2.804 14.369 4.744 1.00 0.00 H new ATOM 0 HA MET A 25 -0.460 12.908 3.685 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.309 13.447 1.413 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.360 12.347 2.282 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.930 14.133 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.837 15.341 2.136 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.378 15.646 -0.685 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.278 15.932 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.953 16.459 0.005 1.00 0.00 H new ATOM 405 N LYS A 26 0.667 15.049 2.947 1.00 0.00 N ATOM 406 CA LYS A 26 1.419 16.290 2.805 1.00 0.00 C ATOM 407 C LYS A 26 2.045 16.391 1.418 1.00 0.00 C ATOM 408 O LYS A 26 2.098 15.410 0.676 1.00 0.00 O ATOM 409 CB LYS A 26 2.508 16.375 3.876 1.00 0.00 C ATOM 410 CG LYS A 26 1.977 16.266 5.295 1.00 0.00 C ATOM 411 CD LYS A 26 1.444 17.598 5.795 1.00 0.00 C ATOM 412 CE LYS A 26 0.943 17.495 7.227 1.00 0.00 C ATOM 413 NZ LYS A 26 2.064 17.459 8.206 1.00 0.00 N ATOM 0 H LYS A 26 1.161 14.217 2.623 1.00 0.00 H new ATOM 0 HA LYS A 26 0.727 17.122 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.235 15.580 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.039 17.321 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.184 15.519 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.771 15.920 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.230 18.351 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.633 17.933 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.296 18.344 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.337 16.596 7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.681 17.389 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.668 16.635 8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.628 18.329 8.120 1.00 0.00 H new ATOM 427 N LYS A 27 2.521 17.583 1.074 1.00 0.00 N ATOM 428 CA LYS A 27 3.147 17.813 -0.222 1.00 0.00 C ATOM 429 C LYS A 27 4.229 16.772 -0.496 1.00 0.00 C ATOM 430 O LYS A 27 5.177 16.631 0.275 1.00 0.00 O ATOM 431 CB LYS A 27 3.751 19.218 -0.279 1.00 0.00 C ATOM 432 CG LYS A 27 2.714 20.327 -0.243 1.00 0.00 C ATOM 433 CD LYS A 27 2.474 20.820 1.175 1.00 0.00 C ATOM 434 CE LYS A 27 1.920 22.236 1.186 1.00 0.00 C ATOM 435 NZ LYS A 27 2.877 23.211 0.592 1.00 0.00 N ATOM 0 H LYS A 27 2.485 18.406 1.676 1.00 0.00 H new ATOM 0 HA LYS A 27 2.378 17.724 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.435 19.345 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.342 19.314 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.046 21.157 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.777 19.965 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.777 20.152 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.409 20.789 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.982 22.263 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.692 22.529 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.712 24.153 1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.851 22.910 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.737 23.252 -0.438 1.00 0.00 H new ATOM 449 N GLY A 28 4.080 16.047 -1.601 1.00 0.00 N ATOM 450 CA GLY A 28 5.052 15.030 -1.957 1.00 0.00 C ATOM 451 C GLY A 28 4.575 13.630 -1.625 1.00 0.00 C ATOM 452 O GLY A 28 5.052 12.652 -2.200 1.00 0.00 O ATOM 0 H GLY A 28 3.304 16.146 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.266 15.094 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.987 15.226 -1.432 1.00 0.00 H new ATOM 456 N ASP A 29 3.633 13.534 -0.693 1.00 0.00 N ATOM 457 CA ASP A 29 3.091 12.243 -0.284 1.00 0.00 C ATOM 458 C ASP A 29 2.301 11.601 -1.420 1.00 0.00 C ATOM 459 O ASP A 29 1.618 12.288 -2.180 1.00 0.00 O ATOM 460 CB ASP A 29 2.198 12.407 0.946 1.00 0.00 C ATOM 461 CG ASP A 29 2.987 12.753 2.193 1.00 0.00 C ATOM 462 OD1 ASP A 29 3.937 13.558 2.091 1.00 0.00 O ATOM 463 OD2 ASP A 29 2.655 12.219 3.272 1.00 0.00 O ATOM 0 H ASP A 29 3.229 14.334 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 29 3.926 11.590 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.463 13.189 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.644 11.484 1.115 1.00 0.00 H new ATOM 468 N ILE A 30 2.401 10.281 -1.531 1.00 0.00 N ATOM 469 CA ILE A 30 1.695 9.547 -2.574 1.00 0.00 C ATOM 470 C ILE A 30 0.838 8.435 -1.980 1.00 0.00 C ATOM 471 O ILE A 30 1.301 7.657 -1.145 1.00 0.00 O ATOM 472 CB ILE A 30 2.675 8.935 -3.593 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.617 10.011 -4.138 1.00 0.00 C ATOM 474 CG2 ILE A 30 1.912 8.267 -4.727 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.720 9.461 -5.015 1.00 0.00 C ATOM 0 H ILE A 30 2.964 9.698 -0.912 1.00 0.00 H new ATOM 0 HA ILE A 30 1.052 10.264 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 30 3.274 8.177 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.036 10.735 -4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.063 10.549 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.618 7.840 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.280 7.476 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.290 9.006 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.349 10.280 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.325 8.759 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.282 8.948 -5.871 1.00 0.00 H new ATOM 487 N LEU A 31 -0.415 8.364 -2.417 1.00 0.00 N ATOM 488 CA LEU A 31 -1.339 7.345 -1.930 1.00 0.00 C ATOM 489 C LEU A 31 -1.890 6.514 -3.084 1.00 0.00 C ATOM 490 O LEU A 31 -1.692 6.846 -4.253 1.00 0.00 O ATOM 491 CB LEU A 31 -2.489 7.997 -1.162 1.00 0.00 C ATOM 492 CG LEU A 31 -2.099 9.099 -0.175 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.290 9.491 0.685 1.00 0.00 C ATOM 494 CD2 LEU A 31 -0.935 8.647 0.695 1.00 0.00 C ATOM 0 H LEU A 31 -0.814 9.000 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.791 6.683 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.190 8.415 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.021 7.219 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.784 9.975 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.994 10.276 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.095 9.856 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.637 8.622 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.671 9.443 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.223 7.757 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.077 8.417 0.064 1.00 0.00 H new ATOM 506 N THR A 32 -2.584 5.431 -2.748 1.00 0.00 N ATOM 507 CA THR A 32 -3.164 4.552 -3.755 1.00 0.00 C ATOM 508 C THR A 32 -4.643 4.855 -3.963 1.00 0.00 C ATOM 509 O THR A 32 -5.480 4.525 -3.121 1.00 0.00 O ATOM 510 CB THR A 32 -3.006 3.070 -3.366 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.629 2.776 -3.105 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.522 2.162 -4.472 1.00 0.00 C ATOM 0 H THR A 32 -2.758 5.142 -1.785 1.00 0.00 H new ATOM 0 HA THR A 32 -2.624 4.736 -4.683 1.00 0.00 H new ATOM 0 HB THR A 32 -3.593 2.889 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.537 1.832 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.400 1.121 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.578 2.368 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.959 2.346 -5.387 1.00 0.00 H new ATOM 520 N LEU A 33 -4.961 5.486 -5.089 1.00 0.00 N ATOM 521 CA LEU A 33 -6.341 5.834 -5.408 1.00 0.00 C ATOM 522 C LEU A 33 -7.227 4.592 -5.418 1.00 0.00 C ATOM 523 O LEU A 33 -7.067 3.709 -6.261 1.00 0.00 O ATOM 524 CB LEU A 33 -6.410 6.534 -6.766 1.00 0.00 C ATOM 525 CG LEU A 33 -7.474 7.624 -6.906 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.857 7.058 -6.626 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.172 8.787 -5.972 1.00 0.00 C ATOM 0 H LEU A 33 -4.281 5.767 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.706 6.513 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.436 6.976 -6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.588 5.780 -7.533 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.456 7.994 -7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.601 7.848 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.074 6.259 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.889 6.661 -5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.939 9.553 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.162 8.433 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.198 9.209 -6.220 1.00 0.00 H new ATOM 539 N LEU A 34 -8.163 4.532 -4.477 1.00 0.00 N ATOM 540 CA LEU A 34 -9.077 3.400 -4.378 1.00 0.00 C ATOM 541 C LEU A 34 -10.426 3.732 -5.008 1.00 0.00 C ATOM 542 O LEU A 34 -11.086 2.865 -5.578 1.00 0.00 O ATOM 543 CB LEU A 34 -9.270 3.001 -2.914 1.00 0.00 C ATOM 544 CG LEU A 34 -9.212 1.502 -2.613 1.00 0.00 C ATOM 545 CD1 LEU A 34 -7.881 0.919 -3.062 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.435 1.247 -1.130 1.00 0.00 C ATOM 0 H LEU A 34 -8.309 5.254 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.639 2.563 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.506 3.501 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.235 3.381 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.008 1.008 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.858 -0.148 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.761 1.069 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.069 1.417 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.390 0.176 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.661 1.754 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.413 1.629 -0.838 1.00 0.00 H new ATOM 558 N ASN A 35 -10.827 4.995 -4.903 1.00 0.00 N ATOM 559 CA ASN A 35 -12.096 5.442 -5.464 1.00 0.00 C ATOM 560 C ASN A 35 -12.026 6.913 -5.864 1.00 0.00 C ATOM 561 O ASN A 35 -11.834 7.788 -5.019 1.00 0.00 O ATOM 562 CB ASN A 35 -13.227 5.230 -4.456 1.00 0.00 C ATOM 563 CG ASN A 35 -14.511 4.766 -5.116 1.00 0.00 C ATOM 564 OD1 ASN A 35 -14.856 3.585 -5.066 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.226 5.695 -5.739 1.00 0.00 N ATOM 0 H ASN A 35 -10.292 5.726 -4.435 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.298 4.850 -6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.916 4.494 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.413 6.162 -3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.099 5.442 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.902 6.662 -5.755 1.00 0.00 H new ATOM 572 N SER A 36 -12.184 7.178 -7.157 1.00 0.00 N ATOM 573 CA SER A 36 -12.135 8.542 -7.670 1.00 0.00 C ATOM 574 C SER A 36 -13.432 8.898 -8.390 1.00 0.00 C ATOM 575 O SER A 36 -13.458 9.782 -9.247 1.00 0.00 O ATOM 576 CB SER A 36 -10.948 8.710 -8.620 1.00 0.00 C ATOM 577 OG SER A 36 -10.597 7.475 -9.221 1.00 0.00 O ATOM 0 H SER A 36 -12.347 6.466 -7.869 1.00 0.00 H new ATOM 0 HA SER A 36 -12.012 9.218 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.197 9.437 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.093 9.108 -8.073 1.00 0.00 H new ATOM 0 HG SER A 36 -9.837 7.609 -9.825 1.00 0.00 H new ATOM 583 N THR A 37 -14.509 8.203 -8.035 1.00 0.00 N ATOM 584 CA THR A 37 -15.809 8.444 -8.647 1.00 0.00 C ATOM 585 C THR A 37 -16.186 9.920 -8.575 1.00 0.00 C ATOM 586 O THR A 37 -16.842 10.447 -9.472 1.00 0.00 O ATOM 587 CB THR A 37 -16.912 7.610 -7.969 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.158 7.799 -8.649 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.063 8.001 -6.506 1.00 0.00 C ATOM 0 H THR A 37 -14.506 7.469 -7.327 1.00 0.00 H new ATOM 0 HA THR A 37 -15.727 8.144 -9.692 1.00 0.00 H new ATOM 0 HB THR A 37 -16.626 6.559 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.853 7.264 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.848 7.399 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.122 7.828 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.328 9.056 -6.437 1.00 0.00 H new ATOM 597 N ASN A 38 -15.766 10.581 -7.501 1.00 0.00 N ATOM 598 CA ASN A 38 -16.060 11.997 -7.312 1.00 0.00 C ATOM 599 C ASN A 38 -14.933 12.865 -7.864 1.00 0.00 C ATOM 600 O ASN A 38 -13.887 12.359 -8.270 1.00 0.00 O ATOM 601 CB ASN A 38 -16.273 12.301 -5.828 1.00 0.00 C ATOM 602 CG ASN A 38 -17.379 13.313 -5.598 1.00 0.00 C ATOM 603 OD1 ASN A 38 -17.823 13.986 -6.528 1.00 0.00 O ATOM 604 ND2 ASN A 38 -17.830 13.424 -4.354 1.00 0.00 N ATOM 0 H ASN A 38 -15.221 10.159 -6.749 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.974 12.229 -7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.514 11.377 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.344 12.678 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.574 14.088 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.432 12.846 -3.614 1.00 0.00 H new ATOM 611 N LYS A 39 -15.154 14.175 -7.875 1.00 0.00 N ATOM 612 CA LYS A 39 -14.158 15.115 -8.375 1.00 0.00 C ATOM 613 C LYS A 39 -13.593 15.963 -7.240 1.00 0.00 C ATOM 614 O LYS A 39 -12.452 16.422 -7.304 1.00 0.00 O ATOM 615 CB LYS A 39 -14.772 16.020 -9.445 1.00 0.00 C ATOM 616 CG LYS A 39 -15.087 15.298 -10.744 1.00 0.00 C ATOM 617 CD LYS A 39 -15.588 16.260 -11.809 1.00 0.00 C ATOM 618 CE LYS A 39 -17.082 16.512 -11.675 1.00 0.00 C ATOM 619 NZ LYS A 39 -17.475 17.832 -12.241 1.00 0.00 N ATOM 0 H LYS A 39 -16.015 14.610 -7.543 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.343 14.541 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.688 16.462 -9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.085 16.841 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.193 14.788 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.840 14.531 -10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.050 17.205 -11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.374 15.854 -12.797 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.631 15.720 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.365 16.469 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.500 17.966 -12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.971 18.590 -11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.229 17.864 -13.251 1.00 0.00 H new ATOM 633 N ASP A 40 -14.398 16.167 -6.203 1.00 0.00 N ATOM 634 CA ASP A 40 -13.977 16.958 -5.052 1.00 0.00 C ATOM 635 C ASP A 40 -13.329 16.073 -3.992 1.00 0.00 C ATOM 636 O ASP A 40 -12.219 16.346 -3.536 1.00 0.00 O ATOM 637 CB ASP A 40 -15.171 17.702 -4.453 1.00 0.00 C ATOM 638 CG ASP A 40 -15.909 18.536 -5.482 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.253 19.345 -6.172 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.142 18.380 -5.598 1.00 0.00 O ATOM 0 H ASP A 40 -15.346 15.796 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.240 17.685 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.860 16.982 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.825 18.348 -3.646 1.00 0.00 H new ATOM 645 N TRP A 41 -14.030 15.014 -3.604 1.00 0.00 N ATOM 646 CA TRP A 41 -13.523 14.090 -2.596 1.00 0.00 C ATOM 647 C TRP A 41 -12.993 12.815 -3.244 1.00 0.00 C ATOM 648 O TRP A 41 -13.738 12.085 -3.899 1.00 0.00 O ATOM 649 CB TRP A 41 -14.623 13.746 -1.591 1.00 0.00 C ATOM 650 CG TRP A 41 -14.989 14.891 -0.696 1.00 0.00 C ATOM 651 CD1 TRP A 41 -16.137 15.629 -0.737 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.201 15.430 0.371 1.00 0.00 C ATOM 653 NE1 TRP A 41 -16.111 16.595 0.241 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.935 16.493 0.935 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.949 15.118 0.907 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.455 17.243 2.005 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.474 15.863 1.969 1.00 0.00 C ATOM 658 CH2 TRP A 41 -13.226 16.915 2.510 1.00 0.00 C ATOM 0 H TRP A 41 -14.951 14.774 -3.972 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.701 14.578 -2.072 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.511 13.419 -2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.296 12.906 -0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.947 15.476 -1.435 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.848 17.277 0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.363 14.308 0.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.032 18.055 2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.507 15.631 2.390 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.828 17.478 3.341 1.00 0.00 H new ATOM 669 N TRP A 42 -11.705 12.554 -3.058 1.00 0.00 N ATOM 670 CA TRP A 42 -11.076 11.366 -3.624 1.00 0.00 C ATOM 671 C TRP A 42 -10.715 10.367 -2.531 1.00 0.00 C ATOM 672 O TRP A 42 -10.111 10.728 -1.520 1.00 0.00 O ATOM 673 CB TRP A 42 -9.824 11.754 -4.412 1.00 0.00 C ATOM 674 CG TRP A 42 -10.106 12.106 -5.842 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.332 12.317 -6.407 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.144 12.286 -6.886 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.189 12.618 -7.740 1.00 0.00 N ATOM 678 CE2 TRP A 42 -9.857 12.606 -8.059 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.750 12.210 -6.945 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.221 12.848 -9.273 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.121 12.450 -8.152 1.00 0.00 C ATOM 682 CH2 TRP A 42 -7.855 12.766 -9.302 1.00 0.00 C ATOM 0 H TRP A 42 -11.075 13.149 -2.520 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.790 10.894 -4.299 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.345 12.603 -3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.114 10.927 -4.382 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.274 12.256 -5.883 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.951 12.818 -8.387 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.175 11.968 -6.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.785 13.092 -10.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.044 12.393 -8.209 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.333 12.949 -10.230 1.00 0.00 H new ATOM 693 N LYS A 43 -11.087 9.109 -2.739 1.00 0.00 N ATOM 694 CA LYS A 43 -10.801 8.056 -1.771 1.00 0.00 C ATOM 695 C LYS A 43 -9.508 7.328 -2.126 1.00 0.00 C ATOM 696 O LYS A 43 -9.415 6.679 -3.168 1.00 0.00 O ATOM 697 CB LYS A 43 -11.961 7.059 -1.713 1.00 0.00 C ATOM 698 CG LYS A 43 -13.330 7.717 -1.735 1.00 0.00 C ATOM 699 CD LYS A 43 -14.438 6.706 -1.497 1.00 0.00 C ATOM 700 CE LYS A 43 -15.807 7.300 -1.789 1.00 0.00 C ATOM 701 NZ LYS A 43 -16.031 7.487 -3.249 1.00 0.00 N ATOM 0 H LYS A 43 -11.588 8.793 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.680 8.520 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.883 6.374 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.869 6.460 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.374 8.493 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.484 8.207 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.277 5.833 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.402 6.362 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.580 6.647 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.902 8.260 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.430 8.432 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.126 7.396 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.694 6.764 -3.594 1.00 0.00 H new ATOM 715 N VAL A 44 -8.513 7.439 -1.252 1.00 0.00 N ATOM 716 CA VAL A 44 -7.227 6.789 -1.471 1.00 0.00 C ATOM 717 C VAL A 44 -6.915 5.797 -0.357 1.00 0.00 C ATOM 718 O VAL A 44 -7.673 5.670 0.605 1.00 0.00 O ATOM 719 CB VAL A 44 -6.085 7.819 -1.560 1.00 0.00 C ATOM 720 CG1 VAL A 44 -5.960 8.357 -2.978 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.311 8.952 -0.570 1.00 0.00 C ATOM 0 H VAL A 44 -8.573 7.973 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.300 6.255 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.150 7.322 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.148 9.083 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.748 7.535 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.894 8.839 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.495 9.670 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.254 9.449 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.346 8.549 0.442 1.00 0.00 H new ATOM 731 N GLU A 45 -5.794 5.095 -0.493 1.00 0.00 N ATOM 732 CA GLU A 45 -5.382 4.113 0.504 1.00 0.00 C ATOM 733 C GLU A 45 -3.955 4.380 0.973 1.00 0.00 C ATOM 734 O GLU A 45 -3.071 4.681 0.170 1.00 0.00 O ATOM 735 CB GLU A 45 -5.486 2.698 -0.069 1.00 0.00 C ATOM 736 CG GLU A 45 -5.272 1.606 0.966 1.00 0.00 C ATOM 737 CD GLU A 45 -3.809 1.407 1.309 1.00 0.00 C ATOM 738 OE1 GLU A 45 -2.949 1.796 0.492 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.524 0.862 2.396 1.00 0.00 O ATOM 0 H GLU A 45 -5.155 5.188 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.050 4.200 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.469 2.570 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.750 2.582 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.823 1.857 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.684 0.669 0.591 1.00 0.00 H new ATOM 746 N VAL A 46 -3.737 4.269 2.280 1.00 0.00 N ATOM 747 CA VAL A 46 -2.418 4.497 2.858 1.00 0.00 C ATOM 748 C VAL A 46 -1.944 3.279 3.643 1.00 0.00 C ATOM 749 O VAL A 46 -2.749 2.546 4.219 1.00 0.00 O ATOM 750 CB VAL A 46 -2.417 5.726 3.786 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.927 6.954 3.047 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.252 5.455 5.028 1.00 0.00 C ATOM 0 H VAL A 46 -4.458 4.022 2.959 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.735 4.678 2.028 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.392 5.922 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.919 7.812 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.283 7.157 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.945 6.774 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.241 6.334 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.278 5.233 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.836 4.604 5.567 1.00 0.00 H new ATOM 762 N LYS A 47 -0.633 3.069 3.664 1.00 0.00 N ATOM 763 CA LYS A 47 -0.049 1.942 4.381 1.00 0.00 C ATOM 764 C LYS A 47 0.601 2.401 5.681 1.00 0.00 C ATOM 765 O LYS A 47 1.322 3.400 5.707 1.00 0.00 O ATOM 766 CB LYS A 47 0.986 1.234 3.503 1.00 0.00 C ATOM 767 CG LYS A 47 1.116 -0.251 3.793 1.00 0.00 C ATOM 768 CD LYS A 47 0.113 -1.066 2.992 1.00 0.00 C ATOM 769 CE LYS A 47 0.622 -2.475 2.731 1.00 0.00 C ATOM 770 NZ LYS A 47 -0.004 -3.075 1.521 1.00 0.00 N ATOM 0 H LYS A 47 0.047 3.665 3.192 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.850 1.244 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.715 1.369 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.956 1.710 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.127 -0.582 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.964 -0.429 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.833 -1.114 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.087 -0.568 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.705 -2.453 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.413 -3.103 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.000 -4.112 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.984 -2.738 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.535 -2.795 0.676 1.00 0.00 H new ATOM 784 N ILE A 48 0.343 1.667 6.758 1.00 0.00 N ATOM 785 CA ILE A 48 0.906 1.999 8.061 1.00 0.00 C ATOM 786 C ILE A 48 1.642 0.806 8.662 1.00 0.00 C ATOM 787 O ILE A 48 1.084 -0.286 8.783 1.00 0.00 O ATOM 788 CB ILE A 48 -0.185 2.463 9.044 1.00 0.00 C ATOM 789 CG1 ILE A 48 -0.937 3.667 8.473 1.00 0.00 C ATOM 790 CG2 ILE A 48 0.429 2.806 10.393 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.180 3.291 7.698 1.00 0.00 C ATOM 0 H ILE A 48 -0.252 0.839 6.754 1.00 0.00 H new ATOM 0 HA ILE A 48 1.611 2.815 7.902 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.896 1.649 9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.216 4.332 9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.267 4.227 7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.354 3.132 11.077 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.924 1.925 10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.158 3.607 10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.662 4.194 7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.906 2.651 6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.869 2.757 8.352 1.00 0.00 H new ATOM 803 N THR A 49 2.898 1.021 9.041 1.00 0.00 N ATOM 804 CA THR A 49 3.710 -0.035 9.630 1.00 0.00 C ATOM 805 C THR A 49 3.608 -0.023 11.151 1.00 0.00 C ATOM 806 O THR A 49 4.070 0.911 11.807 1.00 0.00 O ATOM 807 CB THR A 49 5.190 0.102 9.225 1.00 0.00 C ATOM 808 OG1 THR A 49 5.309 0.105 7.798 1.00 0.00 O ATOM 809 CG2 THR A 49 6.018 -1.035 9.806 1.00 0.00 C ATOM 0 H THR A 49 3.375 1.918 8.950 1.00 0.00 H new ATOM 0 HA THR A 49 3.323 -0.980 9.250 1.00 0.00 H new ATOM 0 HB THR A 49 5.567 1.044 9.623 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.253 0.194 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.059 -0.917 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.949 -1.016 10.894 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.640 -1.987 9.435 1.00 0.00 H new ATOM 817 N VAL A 50 3.001 -1.067 11.708 1.00 0.00 N ATOM 818 CA VAL A 50 2.841 -1.177 13.152 1.00 0.00 C ATOM 819 C VAL A 50 3.342 -2.524 13.660 1.00 0.00 C ATOM 820 O VAL A 50 2.872 -3.576 13.227 1.00 0.00 O ATOM 821 CB VAL A 50 1.368 -0.999 13.568 1.00 0.00 C ATOM 822 CG1 VAL A 50 1.227 -1.082 15.081 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.823 0.321 13.046 1.00 0.00 C ATOM 0 H VAL A 50 2.612 -1.848 11.180 1.00 0.00 H new ATOM 0 HA VAL A 50 3.436 -0.380 13.598 1.00 0.00 H new ATOM 0 HB VAL A 50 0.784 -1.807 13.127 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.180 -0.954 15.356 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.577 -2.055 15.426 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.823 -0.296 15.546 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.218 0.430 13.349 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.408 1.144 13.456 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.888 0.337 11.958 1.00 0.00 H new ATOM 833 N ASN A 51 4.299 -2.485 14.581 1.00 0.00 N ATOM 834 CA ASN A 51 4.864 -3.703 15.149 1.00 0.00 C ATOM 835 C ASN A 51 5.404 -4.615 14.051 1.00 0.00 C ATOM 836 O ASN A 51 5.410 -5.837 14.192 1.00 0.00 O ATOM 837 CB ASN A 51 3.809 -4.446 15.971 1.00 0.00 C ATOM 838 CG ASN A 51 3.424 -3.695 17.231 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.070 -2.517 17.182 1.00 0.00 O ATOM 840 ND2 ASN A 51 3.493 -4.376 18.369 1.00 0.00 N ATOM 0 H ASN A 51 4.700 -1.623 14.950 1.00 0.00 H new ATOM 0 HA ASN A 51 5.690 -3.420 15.802 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.921 -4.604 15.359 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.190 -5.431 16.240 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.247 -3.924 19.250 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.792 -5.351 18.362 1.00 0.00 H new ATOM 847 N GLY A 52 5.856 -4.011 12.956 1.00 0.00 N ATOM 848 CA GLY A 52 6.392 -4.783 11.850 1.00 0.00 C ATOM 849 C GLY A 52 5.304 -5.382 10.981 1.00 0.00 C ATOM 850 O GLY A 52 5.546 -6.332 10.236 1.00 0.00 O ATOM 0 H GLY A 52 5.861 -3.001 12.815 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.030 -4.143 11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.022 -5.582 12.240 1.00 0.00 H new ATOM 854 N LYS A 53 4.100 -4.828 11.076 1.00 0.00 N ATOM 855 CA LYS A 53 2.970 -5.312 10.293 1.00 0.00 C ATOM 856 C LYS A 53 2.330 -4.177 9.501 1.00 0.00 C ATOM 857 O LYS A 53 1.781 -3.236 10.077 1.00 0.00 O ATOM 858 CB LYS A 53 1.929 -5.960 11.209 1.00 0.00 C ATOM 859 CG LYS A 53 2.470 -7.129 12.015 1.00 0.00 C ATOM 860 CD LYS A 53 2.655 -8.364 11.149 1.00 0.00 C ATOM 861 CE LYS A 53 3.568 -9.380 11.817 1.00 0.00 C ATOM 862 NZ LYS A 53 3.435 -10.732 11.206 1.00 0.00 N ATOM 0 H LYS A 53 3.882 -4.042 11.689 1.00 0.00 H new ATOM 0 HA LYS A 53 3.341 -6.058 9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.541 -5.206 11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.090 -6.304 10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.424 -6.852 12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.786 -7.356 12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.685 -8.820 10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.074 -8.075 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.603 -9.046 11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.332 -9.437 12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.073 -11.396 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.454 -11.062 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.685 -10.683 10.198 1.00 0.00 H new ATOM 876 N THR A 54 2.402 -4.271 8.177 1.00 0.00 N ATOM 877 CA THR A 54 1.829 -3.252 7.307 1.00 0.00 C ATOM 878 C THR A 54 0.312 -3.379 7.236 1.00 0.00 C ATOM 879 O THR A 54 -0.218 -4.448 6.933 1.00 0.00 O ATOM 880 CB THR A 54 2.408 -3.341 5.882 1.00 0.00 C ATOM 881 OG1 THR A 54 2.846 -4.677 5.614 1.00 0.00 O ATOM 882 CG2 THR A 54 3.571 -2.375 5.709 1.00 0.00 C ATOM 0 H THR A 54 2.852 -5.043 7.684 1.00 0.00 H new ATOM 0 HA THR A 54 2.089 -2.285 7.738 1.00 0.00 H new ATOM 0 HB THR A 54 1.623 -3.069 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.211 -4.726 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.963 -2.456 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.227 -1.356 5.885 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.357 -2.620 6.423 1.00 0.00 H new ATOM 890 N TYR A 55 -0.382 -2.281 7.516 1.00 0.00 N ATOM 891 CA TYR A 55 -1.840 -2.271 7.485 1.00 0.00 C ATOM 892 C TYR A 55 -2.356 -1.300 6.427 1.00 0.00 C ATOM 893 O TYR A 55 -1.732 -0.276 6.153 1.00 0.00 O ATOM 894 CB TYR A 55 -2.397 -1.890 8.858 1.00 0.00 C ATOM 895 CG TYR A 55 -2.120 -2.919 9.930 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.948 -4.023 10.093 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.029 -2.788 10.781 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.699 -4.965 11.072 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.772 -3.726 11.762 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.610 -4.812 11.904 1.00 0.00 C ATOM 901 OH TYR A 55 -1.358 -5.749 12.879 1.00 0.00 O ATOM 0 H TYR A 55 0.041 -1.387 7.767 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.180 -3.274 7.228 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.968 -0.935 9.163 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.474 -1.744 8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.801 -4.147 9.443 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.371 -1.938 10.673 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.354 -5.817 11.185 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.081 -3.609 12.414 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.554 -5.494 13.378 1.00 0.00 H new ATOM 911 N GLU A 56 -3.500 -1.631 5.837 1.00 0.00 N ATOM 912 CA GLU A 56 -4.101 -0.789 4.809 1.00 0.00 C ATOM 913 C GLU A 56 -5.355 -0.097 5.337 1.00 0.00 C ATOM 914 O GLU A 56 -6.082 -0.652 6.160 1.00 0.00 O ATOM 915 CB GLU A 56 -4.446 -1.622 3.573 1.00 0.00 C ATOM 916 CG GLU A 56 -3.228 -2.185 2.859 1.00 0.00 C ATOM 917 CD GLU A 56 -3.576 -3.327 1.925 1.00 0.00 C ATOM 918 OE1 GLU A 56 -4.079 -4.361 2.413 1.00 0.00 O ATOM 919 OE2 GLU A 56 -3.346 -3.187 0.706 1.00 0.00 O ATOM 0 H GLU A 56 -4.029 -2.476 6.053 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.375 -0.025 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.096 -2.445 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.012 -1.005 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.745 -1.390 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.506 -2.532 3.598 1.00 0.00 H new ATOM 926 N ARG A 57 -5.600 1.117 4.856 1.00 0.00 N ATOM 927 CA ARG A 57 -6.765 1.886 5.279 1.00 0.00 C ATOM 928 C ARG A 57 -7.147 2.920 4.224 1.00 0.00 C ATOM 929 O ARG A 57 -6.291 3.420 3.494 1.00 0.00 O ATOM 930 CB ARG A 57 -6.486 2.581 6.613 1.00 0.00 C ATOM 931 CG ARG A 57 -5.519 3.749 6.500 1.00 0.00 C ATOM 932 CD ARG A 57 -5.369 4.478 7.826 1.00 0.00 C ATOM 933 NE ARG A 57 -4.978 3.576 8.906 1.00 0.00 N ATOM 934 CZ ARG A 57 -4.679 3.986 10.134 1.00 0.00 C ATOM 935 NH1 ARG A 57 -4.728 5.276 10.436 1.00 0.00 N ATOM 936 NH2 ARG A 57 -4.332 3.105 11.063 1.00 0.00 N ATOM 0 H ARG A 57 -5.008 1.590 4.173 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.599 1.196 5.404 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.427 2.938 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.082 1.852 7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.545 3.386 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.874 4.444 5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.623 5.266 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.311 4.963 8.082 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.932 2.577 8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.996 5.956 9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.498 5.588 11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.294 2.112 10.835 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.103 3.421 12.005 1.00 0.00 H new ATOM 950 N GLN A 58 -8.436 3.234 4.150 1.00 0.00 N ATOM 951 CA GLN A 58 -8.931 4.207 3.184 1.00 0.00 C ATOM 952 C GLN A 58 -8.993 5.601 3.799 1.00 0.00 C ATOM 953 O GLN A 58 -9.357 5.761 4.963 1.00 0.00 O ATOM 954 CB GLN A 58 -10.315 3.797 2.678 1.00 0.00 C ATOM 955 CG GLN A 58 -10.280 3.013 1.376 1.00 0.00 C ATOM 956 CD GLN A 58 -11.549 3.174 0.563 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.549 2.499 0.811 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.516 4.072 -0.414 1.00 0.00 N ATOM 0 H GLN A 58 -9.157 2.829 4.747 1.00 0.00 H new ATOM 0 HA GLN A 58 -8.238 4.231 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.808 3.195 3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.921 4.692 2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.428 3.342 0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.126 1.957 1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.666 4.609 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.341 4.225 -0.994 1.00 0.00 H new ATOM 967 N GLY A 59 -8.635 6.608 3.008 1.00 0.00 N ATOM 968 CA GLY A 59 -8.657 7.976 3.492 1.00 0.00 C ATOM 969 C GLY A 59 -9.224 8.943 2.472 1.00 0.00 C ATOM 970 O GLY A 59 -8.784 8.973 1.323 1.00 0.00 O ATOM 0 H GLY A 59 -8.330 6.501 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.251 8.026 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.644 8.282 3.754 1.00 0.00 H new ATOM 974 N PHE A 60 -10.204 9.736 2.892 1.00 0.00 N ATOM 975 CA PHE A 60 -10.834 10.708 2.005 1.00 0.00 C ATOM 976 C PHE A 60 -10.079 12.034 2.027 1.00 0.00 C ATOM 977 O PHE A 60 -9.839 12.607 3.090 1.00 0.00 O ATOM 978 CB PHE A 60 -12.292 10.931 2.413 1.00 0.00 C ATOM 979 CG PHE A 60 -13.089 9.662 2.510 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.024 8.874 3.648 1.00 0.00 C ATOM 981 CD2 PHE A 60 -13.902 9.257 1.464 1.00 0.00 C ATOM 982 CE1 PHE A 60 -13.757 7.705 3.741 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.636 8.089 1.552 1.00 0.00 C ATOM 984 CZ PHE A 60 -14.563 7.312 2.691 1.00 0.00 C ATOM 0 H PHE A 60 -10.579 9.725 3.840 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.804 10.310 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.317 11.441 3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.766 11.594 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.394 9.176 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.963 9.860 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -13.699 7.100 4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.267 7.784 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.135 6.399 2.761 1.00 0.00 H new ATOM 994 N VAL A 61 -9.707 12.515 0.845 1.00 0.00 N ATOM 995 CA VAL A 61 -8.980 13.773 0.727 1.00 0.00 C ATOM 996 C VAL A 61 -9.424 14.551 -0.507 1.00 0.00 C ATOM 997 O VAL A 61 -9.908 13.985 -1.487 1.00 0.00 O ATOM 998 CB VAL A 61 -7.460 13.538 0.652 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.922 13.091 2.003 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.131 12.517 -0.426 1.00 0.00 C ATOM 0 H VAL A 61 -9.897 12.053 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.207 14.354 1.621 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.977 14.479 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.846 12.930 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.124 13.861 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.409 12.162 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.053 12.363 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.624 11.573 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.480 12.882 -1.392 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.256 15.881 -0.460 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.632 16.765 -1.567 1.00 0.00 C ATOM 1012 C PRO A 62 -8.724 16.595 -2.780 1.00 0.00 C ATOM 1013 O PRO A 62 -7.520 16.837 -2.704 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.472 18.166 -0.972 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.469 18.002 0.118 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.686 16.623 0.676 1.00 0.00 C ATOM 0 HA PRO A 62 -10.637 16.554 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.128 18.878 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.419 18.543 -0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.455 18.113 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.603 18.761 0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.753 16.177 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.365 16.637 1.528 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.309 16.177 -3.898 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.552 15.976 -5.127 1.00 0.00 C ATOM 1026 C ALA A 63 -7.917 17.280 -5.599 1.00 0.00 C ATOM 1027 O ALA A 63 -6.889 17.271 -6.276 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.451 15.401 -6.212 1.00 0.00 C ATOM 0 H ALA A 63 -10.305 15.971 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.751 15.266 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.873 15.256 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.854 14.444 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.271 16.091 -6.408 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.537 18.399 -5.240 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.031 19.710 -5.626 1.00 0.00 C ATOM 1036 C ALA A 64 -6.674 19.986 -4.987 1.00 0.00 C ATOM 1037 O ALA A 64 -5.964 20.908 -5.387 1.00 0.00 O ATOM 1038 CB ALA A 64 -9.027 20.794 -5.242 1.00 0.00 C ATOM 0 H ALA A 64 -9.391 18.424 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.901 19.717 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.636 21.768 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.974 20.614 -5.751 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.185 20.777 -4.164 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.321 19.180 -3.991 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.050 19.340 -3.294 1.00 0.00 C ATOM 1046 C TYR A 65 -4.049 18.277 -3.737 1.00 0.00 C ATOM 1047 O TYR A 65 -2.886 18.294 -3.331 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.260 19.259 -1.781 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.654 20.577 -1.153 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.581 21.411 -1.765 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -5.099 20.987 0.053 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.942 22.617 -1.196 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.456 22.190 0.631 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.377 23.002 0.002 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.736 24.201 0.574 1.00 0.00 O ATOM 0 H TYR A 65 -6.896 18.410 -3.649 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.647 20.321 -3.546 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.032 18.520 -1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.342 18.904 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.027 21.111 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.376 20.355 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.663 23.255 -1.686 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.017 22.493 1.570 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.248 24.321 1.415 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.509 17.352 -4.573 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.655 16.281 -5.074 1.00 0.00 C ATOM 1067 C VAL A 66 -3.826 16.101 -6.579 1.00 0.00 C ATOM 1068 O VAL A 66 -4.516 16.881 -7.235 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.958 14.946 -4.370 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.875 15.107 -2.860 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.325 14.424 -4.784 1.00 0.00 C ATOM 0 H VAL A 66 -5.468 17.322 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.626 16.570 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.208 14.216 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.092 14.153 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.872 15.432 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.601 15.851 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.523 13.480 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.090 15.150 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.343 14.267 -5.863 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.193 15.065 -7.120 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.275 14.779 -8.547 1.00 0.00 C ATOM 1083 C LYS A 67 -3.016 13.301 -8.821 1.00 0.00 C ATOM 1084 O LYS A 67 -2.492 12.583 -7.969 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.270 15.636 -9.319 1.00 0.00 C ATOM 1086 CG LYS A 67 -2.693 17.087 -9.464 1.00 0.00 C ATOM 1087 CD LYS A 67 -2.120 17.712 -10.725 1.00 0.00 C ATOM 1088 CE LYS A 67 -0.599 17.693 -10.715 1.00 0.00 C ATOM 1089 NZ LYS A 67 -0.025 18.947 -11.279 1.00 0.00 N ATOM 0 H LYS A 67 -2.618 14.410 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.283 15.022 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.306 15.596 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.126 15.207 -10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.781 17.149 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.361 17.652 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.486 17.172 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.472 18.740 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.244 17.559 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.243 16.839 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.013 18.895 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.343 19.063 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.344 19.760 -10.714 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.384 12.852 -10.016 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.189 11.460 -10.405 1.00 0.00 C ATOM 1105 C LYS A 68 -2.025 11.326 -11.382 1.00 0.00 C ATOM 1106 O LYS A 68 -1.933 12.071 -12.359 1.00 0.00 O ATOM 1107 CB LYS A 68 -4.466 10.901 -11.036 1.00 0.00 C ATOM 1108 CG LYS A 68 -4.571 9.388 -10.960 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.537 8.843 -11.997 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.983 9.027 -11.563 1.00 0.00 C ATOM 1111 NZ LYS A 68 -7.919 8.989 -12.721 1.00 0.00 N ATOM 0 H LYS A 68 -3.819 13.432 -10.733 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.955 10.888 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.330 11.342 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.509 11.208 -12.081 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.586 8.946 -11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.902 9.095 -9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.374 9.349 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.337 7.784 -12.161 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.251 8.245 -10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.088 9.979 -11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.894 9.118 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.679 9.751 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.838 8.071 -13.203 1.00 0.00 H new ATOM 1125 N LEU A 69 -1.140 10.372 -11.114 1.00 0.00 N ATOM 1126 CA LEU A 69 0.017 10.140 -11.971 1.00 0.00 C ATOM 1127 C LEU A 69 -0.417 9.688 -13.361 1.00 0.00 C ATOM 1128 O LEU A 69 0.288 9.911 -14.346 1.00 0.00 O ATOM 1129 CB LEU A 69 0.937 9.090 -11.345 1.00 0.00 C ATOM 1130 CG LEU A 69 2.068 9.626 -10.467 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.037 10.458 -11.293 1.00 0.00 C ATOM 1132 CD2 LEU A 69 1.506 10.446 -9.315 1.00 0.00 C ATOM 0 H LEU A 69 -1.202 9.747 -10.310 1.00 0.00 H new ATOM 0 HA LEU A 69 0.561 11.080 -12.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.328 8.414 -10.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.377 8.497 -12.147 1.00 0.00 H new ATOM 0 HG LEU A 69 2.612 8.778 -10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.835 10.831 -10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.465 9.841 -12.083 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.506 11.300 -11.738 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.325 10.819 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.937 11.287 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.853 9.820 -8.707 1.00 0.00 H new ATOM 1144 N ASP A 70 -1.582 9.055 -13.435 1.00 0.00 N ATOM 1145 CA ASP A 70 -2.112 8.574 -14.706 1.00 0.00 C ATOM 1146 C ASP A 70 -2.636 9.733 -15.549 1.00 0.00 C ATOM 1147 O ASP A 70 -3.297 10.637 -15.036 1.00 0.00 O ATOM 1148 CB ASP A 70 -3.229 7.557 -14.465 1.00 0.00 C ATOM 1149 CG ASP A 70 -3.689 6.888 -15.745 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -2.861 6.744 -16.669 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -4.877 6.510 -15.824 1.00 0.00 O ATOM 0 H ASP A 70 -2.178 8.863 -12.630 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.301 8.089 -15.250 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.880 6.797 -13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.076 8.057 -13.995 1.00 0.00 H new TER 1156 ASP A 70