USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.6!) USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= -0.0121 (180deg=-0.0857) USER MOD Single : A 16 SER OG : rot -86:sc= 0.993 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.286 (180deg=-0.478) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 1.24 (180deg=0.945) USER MOD Single : A 36 ASN : amide:sc= 0.665 K(o=0.66,f=-6.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.029 (180deg=-0.297) USER MOD Single : A 44 MET CE :methyl -140:sc= -2.46! (180deg=-4.46!) USER MOD Single : A 46 THR OG1 : rot 79:sc= -0.184 USER MOD Single : A 51 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.75) USER MOD Single : A 52 ASN : amide:sc= 1.18 K(o=1.2,f=-0.073) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -8.5! C(o=-8.5!,f=-9.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 72 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= -2.81! (180deg=-2.97!) USER MOD Single : A 76 ASN : amide:sc= 0.858 K(o=0.86,f=-0.11) USER MOD Single : A 77 THR OG1 : rot 120:sc= -0.0275 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0184 K(o=-0.018,f=-2.3!) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.04) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 14.615 12.139 -2.381 1.00 0.94 N ATOM 63 CA ASP A 6 13.300 11.601 -2.053 1.00 0.82 C ATOM 64 C ASP A 6 12.195 12.653 -2.149 1.00 0.72 C ATOM 65 O ASP A 6 11.541 12.981 -1.163 1.00 0.76 O ATOM 66 CB ASP A 6 13.308 10.966 -0.653 1.00 0.88 C ATOM 67 CG ASP A 6 14.118 11.760 0.358 1.00 1.03 C ATOM 68 OD1 ASP A 6 13.657 12.836 0.789 1.00 1.40 O ATOM 69 OD2 ASP A 6 15.227 11.314 0.723 1.00 1.79 O ATOM 0 HA ASP A 6 13.081 10.834 -2.795 1.00 0.82 H new ATOM 0 HB2 ASP A 6 12.282 10.875 -0.296 1.00 0.88 H new ATOM 0 HB3 ASP A 6 13.713 9.956 -0.721 1.00 0.88 H new ATOM 74 N SER A 7 11.987 13.180 -3.342 1.00 0.68 N ATOM 75 CA SER A 7 10.837 14.022 -3.603 1.00 0.67 C ATOM 76 C SER A 7 9.608 13.129 -3.700 1.00 0.53 C ATOM 77 O SER A 7 9.567 12.221 -4.523 1.00 0.46 O ATOM 78 CB SER A 7 11.038 14.809 -4.902 1.00 0.77 C ATOM 79 OG SER A 7 9.979 15.728 -5.116 1.00 1.33 O ATOM 0 H SER A 7 12.600 13.039 -4.145 1.00 0.68 H new ATOM 0 HA SER A 7 10.707 14.743 -2.796 1.00 0.67 H new ATOM 0 HB2 SER A 7 11.986 15.346 -4.862 1.00 0.77 H new ATOM 0 HB3 SER A 7 11.098 14.118 -5.743 1.00 0.77 H new ATOM 0 HG SER A 7 10.134 16.217 -5.951 1.00 1.33 H new ATOM 85 N GLN A 8 8.618 13.391 -2.843 1.00 0.53 N ATOM 86 CA GLN A 8 7.477 12.487 -2.664 1.00 0.47 C ATOM 87 C GLN A 8 6.739 12.216 -3.971 1.00 0.48 C ATOM 88 O GLN A 8 6.163 11.142 -4.142 1.00 0.50 O ATOM 89 CB GLN A 8 6.494 13.015 -1.603 1.00 0.53 C ATOM 90 CG GLN A 8 5.765 14.300 -1.978 1.00 0.86 C ATOM 91 CD GLN A 8 6.673 15.511 -2.003 1.00 1.25 C ATOM 92 OE1 GLN A 8 7.235 15.865 -3.040 1.00 1.88 O ATOM 93 NE2 GLN A 8 6.838 16.141 -0.855 1.00 1.57 N ATOM 0 H GLN A 8 8.583 14.226 -2.259 1.00 0.53 H new ATOM 0 HA GLN A 8 7.893 11.542 -2.314 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.753 12.242 -1.400 1.00 0.53 H new ATOM 0 HB3 GLN A 8 7.041 13.184 -0.675 1.00 0.53 H new ATOM 0 HG2 GLN A 8 5.306 14.177 -2.959 1.00 0.86 H new ATOM 0 HG3 GLN A 8 4.957 14.473 -1.267 1.00 0.86 H new ATOM 0 HE21 GLN A 8 6.353 15.814 -0.019 1.00 1.57 H new ATOM 0 HE22 GLN A 8 7.451 16.955 -0.803 1.00 1.57 H new ATOM 102 N GLU A 9 6.751 13.175 -4.886 1.00 0.54 N ATOM 103 CA GLU A 9 6.143 12.970 -6.193 1.00 0.59 C ATOM 104 C GLU A 9 6.921 11.915 -6.975 1.00 0.51 C ATOM 105 O GLU A 9 6.339 10.975 -7.523 1.00 0.50 O ATOM 106 CB GLU A 9 6.070 14.285 -6.972 1.00 0.73 C ATOM 107 CG GLU A 9 5.641 14.109 -8.419 1.00 1.34 C ATOM 108 CD GLU A 9 5.099 15.381 -9.033 1.00 1.57 C ATOM 109 OE1 GLU A 9 3.931 15.376 -9.474 1.00 1.45 O ATOM 110 OE2 GLU A 9 5.828 16.391 -9.069 1.00 2.17 O ATOM 0 H GLU A 9 7.171 14.095 -4.750 1.00 0.54 H new ATOM 0 HA GLU A 9 5.124 12.612 -6.050 1.00 0.59 H new ATOM 0 HB2 GLU A 9 5.370 14.955 -6.473 1.00 0.73 H new ATOM 0 HB3 GLU A 9 7.047 14.768 -6.947 1.00 0.73 H new ATOM 0 HG2 GLU A 9 6.492 13.763 -9.005 1.00 1.34 H new ATOM 0 HG3 GLU A 9 4.879 13.332 -8.474 1.00 1.34 H new ATOM 117 N LYS A 10 8.240 12.066 -6.998 1.00 0.50 N ATOM 118 CA LYS A 10 9.115 11.084 -7.620 1.00 0.48 C ATOM 119 C LYS A 10 9.012 9.750 -6.892 1.00 0.38 C ATOM 120 O LYS A 10 8.997 8.690 -7.514 1.00 0.38 O ATOM 121 CB LYS A 10 10.568 11.569 -7.605 1.00 0.58 C ATOM 122 CG LYS A 10 11.566 10.506 -8.037 1.00 0.75 C ATOM 123 CD LYS A 10 12.997 11.004 -7.953 1.00 1.63 C ATOM 124 CE LYS A 10 13.989 9.880 -8.220 1.00 2.14 C ATOM 125 NZ LYS A 10 13.801 9.269 -9.564 1.00 2.55 N ATOM 0 H LYS A 10 8.727 12.864 -6.590 1.00 0.50 H new ATOM 0 HA LYS A 10 8.799 10.953 -8.655 1.00 0.48 H new ATOM 0 HB2 LYS A 10 10.661 12.433 -8.263 1.00 0.58 H new ATOM 0 HB3 LYS A 10 10.820 11.906 -6.599 1.00 0.58 H new ATOM 0 HG2 LYS A 10 11.451 9.624 -7.407 1.00 0.75 H new ATOM 0 HG3 LYS A 10 11.348 10.198 -9.060 1.00 0.75 H new ATOM 0 HD2 LYS A 10 13.149 11.806 -8.676 1.00 1.63 H new ATOM 0 HD3 LYS A 10 13.180 11.427 -6.965 1.00 1.63 H new ATOM 0 HE2 LYS A 10 15.005 10.267 -8.138 1.00 2.14 H new ATOM 0 HE3 LYS A 10 13.878 9.111 -7.455 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 14.579 8.605 -9.755 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 12.896 8.758 -9.589 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 13.797 10.016 -10.288 1.00 2.55 H new ATOM 139 N VAL A 11 8.944 9.815 -5.567 1.00 0.34 N ATOM 140 CA VAL A 11 8.813 8.622 -4.746 1.00 0.30 C ATOM 141 C VAL A 11 7.571 7.833 -5.141 1.00 0.27 C ATOM 142 O VAL A 11 7.665 6.658 -5.476 1.00 0.31 O ATOM 143 CB VAL A 11 8.756 8.971 -3.239 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.512 7.730 -2.400 1.00 0.39 C ATOM 145 CG2 VAL A 11 10.038 9.656 -2.800 1.00 0.37 C ATOM 0 H VAL A 11 8.978 10.687 -5.039 1.00 0.34 H new ATOM 0 HA VAL A 11 9.697 8.009 -4.920 1.00 0.30 H new ATOM 0 HB VAL A 11 7.922 9.656 -3.087 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.477 8.005 -1.346 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.564 7.276 -2.689 1.00 0.39 H new ATOM 0 HG13 VAL A 11 9.320 7.017 -2.562 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.978 9.893 -1.738 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.884 8.992 -2.977 1.00 0.37 H new ATOM 0 HG23 VAL A 11 10.173 10.575 -3.370 1.00 0.37 H new ATOM 149 N ALA A 12 6.417 8.494 -5.135 1.00 0.26 N ATOM 150 CA ALA A 12 5.152 7.848 -5.478 1.00 0.27 C ATOM 151 C ALA A 12 5.200 7.222 -6.874 1.00 0.26 C ATOM 152 O ALA A 12 4.688 6.118 -7.094 1.00 0.31 O ATOM 153 CB ALA A 12 4.016 8.853 -5.385 1.00 0.35 C ATOM 0 H ALA A 12 6.331 9.482 -4.895 1.00 0.26 H new ATOM 0 HA ALA A 12 4.979 7.043 -4.764 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.076 8.365 -5.642 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.957 9.242 -4.369 1.00 0.35 H new ATOM 0 HB3 ALA A 12 4.199 9.674 -6.078 1.00 0.35 H new ATOM 159 N ASP A 13 5.826 7.930 -7.807 1.00 0.26 N ATOM 160 CA ASP A 13 5.986 7.441 -9.175 1.00 0.32 C ATOM 161 C ASP A 13 6.928 6.236 -9.207 1.00 0.30 C ATOM 162 O ASP A 13 6.767 5.320 -10.016 1.00 0.42 O ATOM 163 CB ASP A 13 6.523 8.561 -10.070 1.00 0.39 C ATOM 164 CG ASP A 13 6.804 8.103 -11.487 1.00 0.59 C ATOM 165 OD1 ASP A 13 5.860 8.048 -12.305 1.00 0.86 O ATOM 166 OD2 ASP A 13 7.977 7.811 -11.795 1.00 0.67 O ATOM 0 H ASP A 13 6.234 8.850 -7.641 1.00 0.26 H new ATOM 0 HA ASP A 13 5.013 7.125 -9.550 1.00 0.32 H new ATOM 0 HB2 ASP A 13 5.801 9.377 -10.094 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.439 8.959 -9.634 1.00 0.39 H new ATOM 171 N GLU A 14 7.900 6.242 -8.308 1.00 0.25 N ATOM 172 CA GLU A 14 8.875 5.164 -8.206 1.00 0.35 C ATOM 173 C GLU A 14 8.236 3.899 -7.629 1.00 0.28 C ATOM 174 O GLU A 14 8.404 2.809 -8.181 1.00 0.32 O ATOM 175 CB GLU A 14 10.050 5.607 -7.330 1.00 0.53 C ATOM 176 CG GLU A 14 11.227 4.646 -7.332 1.00 1.18 C ATOM 177 CD GLU A 14 11.907 4.566 -8.680 1.00 1.35 C ATOM 178 OE1 GLU A 14 12.644 5.511 -9.036 1.00 1.53 O ATOM 179 OE2 GLU A 14 11.719 3.559 -9.389 1.00 2.05 O ATOM 0 H GLU A 14 8.036 6.991 -7.630 1.00 0.25 H new ATOM 0 HA GLU A 14 9.239 4.933 -9.207 1.00 0.35 H new ATOM 0 HB2 GLU A 14 10.393 6.584 -7.669 1.00 0.53 H new ATOM 0 HB3 GLU A 14 9.698 5.731 -6.306 1.00 0.53 H new ATOM 0 HG2 GLU A 14 11.951 4.962 -6.581 1.00 1.18 H new ATOM 0 HG3 GLU A 14 10.882 3.653 -7.043 1.00 1.18 H new ATOM 186 N ILE A 15 7.495 4.044 -6.524 1.00 0.22 N ATOM 187 CA ILE A 15 6.874 2.887 -5.873 1.00 0.19 C ATOM 188 C ILE A 15 5.954 2.174 -6.848 1.00 0.17 C ATOM 189 O ILE A 15 6.048 0.965 -7.046 1.00 0.22 O ATOM 190 CB ILE A 15 6.012 3.244 -4.635 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.475 4.520 -3.940 1.00 0.25 C ATOM 192 CG2 ILE A 15 6.039 2.089 -3.644 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.788 4.385 -3.205 1.00 0.33 C ATOM 0 H ILE A 15 7.313 4.938 -6.068 1.00 0.22 H new ATOM 0 HA ILE A 15 7.708 2.265 -5.548 1.00 0.19 H new ATOM 0 HB ILE A 15 4.997 3.420 -4.991 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.568 5.312 -4.683 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.707 4.834 -3.233 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.433 2.342 -2.774 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.638 1.193 -4.118 1.00 0.29 H new ATOM 0 HG23 ILE A 15 7.066 1.904 -3.329 1.00 0.29 H new ATOM 0 HD11 ILE A 15 8.044 5.337 -2.740 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.697 3.618 -2.436 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.571 4.103 -3.908 1.00 0.33 H new ATOM 200 N SER A 16 5.077 2.946 -7.470 1.00 0.18 N ATOM 201 CA SER A 16 4.063 2.398 -8.351 1.00 0.25 C ATOM 202 C SER A 16 4.684 1.621 -9.505 1.00 0.22 C ATOM 203 O SER A 16 4.162 0.589 -9.918 1.00 0.30 O ATOM 204 CB SER A 16 3.175 3.520 -8.877 1.00 0.32 C ATOM 205 OG SER A 16 3.952 4.605 -9.355 1.00 0.30 O ATOM 0 H SER A 16 5.049 3.962 -7.378 1.00 0.18 H new ATOM 0 HA SER A 16 3.456 1.698 -7.777 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.542 3.141 -9.679 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.512 3.865 -8.084 1.00 0.32 H new ATOM 0 HG SER A 16 4.165 5.207 -8.612 1.00 0.30 H new ATOM 211 N PHE A 17 5.805 2.113 -10.012 1.00 0.18 N ATOM 212 CA PHE A 17 6.511 1.436 -11.086 1.00 0.24 C ATOM 213 C PHE A 17 7.162 0.151 -10.584 1.00 0.28 C ATOM 214 O PHE A 17 7.059 -0.896 -11.221 1.00 0.37 O ATOM 215 CB PHE A 17 7.570 2.360 -11.696 1.00 0.29 C ATOM 216 CG PHE A 17 8.490 1.664 -12.659 1.00 0.38 C ATOM 217 CD1 PHE A 17 9.792 1.370 -12.294 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.051 1.297 -13.920 1.00 0.49 C ATOM 219 CE1 PHE A 17 10.642 0.724 -13.168 1.00 0.49 C ATOM 220 CE2 PHE A 17 8.897 0.650 -14.801 1.00 0.59 C ATOM 221 CZ PHE A 17 10.196 0.364 -14.423 1.00 0.58 C ATOM 0 H PHE A 17 6.244 2.978 -9.696 1.00 0.18 H new ATOM 0 HA PHE A 17 5.785 1.175 -11.856 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.071 3.181 -12.211 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.162 2.800 -10.894 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.147 1.650 -11.313 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.037 1.519 -14.218 1.00 0.49 H new ATOM 0 HE1 PHE A 17 11.656 0.500 -12.870 1.00 0.49 H new ATOM 0 HE2 PHE A 17 8.544 0.369 -15.782 1.00 0.59 H new ATOM 0 HZ PHE A 17 10.860 -0.140 -15.109 1.00 0.58 H new ATOM 231 N ARG A 18 7.813 0.225 -9.428 1.00 0.24 N ATOM 232 CA ARG A 18 8.583 -0.905 -8.925 1.00 0.29 C ATOM 233 C ARG A 18 7.697 -2.038 -8.426 1.00 0.28 C ATOM 234 O ARG A 18 8.087 -3.203 -8.474 1.00 0.30 O ATOM 235 CB ARG A 18 9.549 -0.459 -7.827 1.00 0.37 C ATOM 236 CG ARG A 18 10.653 0.455 -8.335 1.00 0.41 C ATOM 237 CD ARG A 18 11.647 0.800 -7.237 1.00 0.57 C ATOM 238 NE ARG A 18 12.259 -0.394 -6.652 1.00 1.49 N ATOM 239 CZ ARG A 18 13.556 -0.695 -6.736 1.00 1.74 C ATOM 240 NH1 ARG A 18 14.378 0.068 -7.447 1.00 1.26 N ATOM 241 NH2 ARG A 18 14.024 -1.777 -6.127 1.00 2.83 N ATOM 0 H ARG A 18 7.823 1.049 -8.827 1.00 0.24 H new ATOM 0 HA ARG A 18 9.158 -1.293 -9.766 1.00 0.29 H new ATOM 0 HB2 ARG A 18 8.989 0.057 -7.047 1.00 0.37 H new ATOM 0 HB3 ARG A 18 9.998 -1.340 -7.367 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.176 -0.029 -9.160 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.214 1.371 -8.730 1.00 0.41 H new ATOM 0 HD2 ARG A 18 12.427 1.444 -7.644 1.00 0.57 H new ATOM 0 HD3 ARG A 18 11.141 1.367 -6.456 1.00 0.57 H new ATOM 0 HE ARG A 18 11.653 -1.040 -6.146 1.00 1.49 H new ATOM 0 HH11 ARG A 18 14.019 0.890 -7.933 1.00 1.26 H new ATOM 0 HH12 ARG A 18 15.369 -0.168 -7.507 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.392 -2.377 -5.596 1.00 2.83 H new ATOM 0 HH22 ARG A 18 15.015 -2.009 -6.190 1.00 2.83 H new ATOM 255 N LEU A 19 6.511 -1.705 -7.943 1.00 0.27 N ATOM 256 CA LEU A 19 5.584 -2.719 -7.469 1.00 0.25 C ATOM 257 C LEU A 19 4.610 -3.133 -8.564 1.00 0.28 C ATOM 258 O LEU A 19 3.759 -4.001 -8.356 1.00 0.38 O ATOM 259 CB LEU A 19 4.821 -2.225 -6.239 1.00 0.29 C ATOM 260 CG LEU A 19 5.636 -2.160 -4.939 1.00 0.35 C ATOM 261 CD1 LEU A 19 6.221 -3.519 -4.598 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.745 -1.135 -5.033 1.00 0.63 C ATOM 0 H LEU A 19 6.169 -0.747 -7.869 1.00 0.27 H new ATOM 0 HA LEU A 19 6.169 -3.594 -7.187 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.428 -1.231 -6.451 1.00 0.29 H new ATOM 0 HB3 LEU A 19 3.964 -2.879 -6.078 1.00 0.29 H new ATOM 0 HG LEU A 19 4.954 -1.858 -4.144 1.00 0.35 H new ATOM 0 HD11 LEU A 19 6.794 -3.447 -3.673 1.00 0.99 H new ATOM 0 HD12 LEU A 19 5.414 -4.241 -4.470 1.00 0.99 H new ATOM 0 HD13 LEU A 19 6.876 -3.846 -5.406 1.00 0.99 H new ATOM 0 HD21 LEU A 19 7.302 -1.115 -4.096 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.417 -1.400 -5.849 1.00 0.63 H new ATOM 0 HD23 LEU A 19 6.316 -0.151 -5.221 1.00 0.63 H new ATOM 274 N GLN A 20 4.772 -2.510 -9.740 1.00 0.25 N ATOM 275 CA GLN A 20 3.846 -2.676 -10.859 1.00 0.28 C ATOM 276 C GLN A 20 2.420 -2.450 -10.366 1.00 0.28 C ATOM 277 O GLN A 20 1.498 -3.198 -10.688 1.00 0.35 O ATOM 278 CB GLN A 20 3.991 -4.063 -11.497 1.00 0.36 C ATOM 279 CG GLN A 20 3.318 -4.174 -12.858 1.00 0.88 C ATOM 280 CD GLN A 20 3.451 -5.552 -13.469 1.00 1.00 C ATOM 281 OE1 GLN A 20 4.411 -5.838 -14.184 1.00 1.36 O ATOM 282 NE2 GLN A 20 2.489 -6.416 -13.190 1.00 1.60 N ATOM 0 H GLN A 20 5.549 -1.879 -9.938 1.00 0.25 H new ATOM 0 HA GLN A 20 4.082 -1.941 -11.628 1.00 0.28 H new ATOM 0 HB2 GLN A 20 5.050 -4.297 -11.603 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.565 -4.810 -10.827 1.00 0.36 H new ATOM 0 HG2 GLN A 20 2.261 -3.927 -12.756 1.00 0.88 H new ATOM 0 HG3 GLN A 20 3.753 -3.438 -13.534 1.00 0.88 H new ATOM 0 HE21 GLN A 20 1.711 -6.137 -12.593 1.00 1.60 H new ATOM 0 HE22 GLN A 20 2.526 -7.361 -13.572 1.00 1.60 H new ATOM 291 N GLU A 21 2.271 -1.395 -9.580 1.00 0.29 N ATOM 292 CA GLU A 21 1.037 -1.126 -8.848 1.00 0.36 C ATOM 293 C GLU A 21 -0.159 -0.926 -9.776 1.00 0.31 C ATOM 294 O GLU A 21 -0.162 -0.043 -10.635 1.00 0.36 O ATOM 295 CB GLU A 21 1.227 0.099 -7.960 1.00 0.53 C ATOM 296 CG GLU A 21 0.822 -0.127 -6.514 1.00 0.79 C ATOM 297 CD GLU A 21 -0.661 0.028 -6.266 1.00 0.70 C ATOM 298 OE1 GLU A 21 -1.049 1.029 -5.633 1.00 1.07 O ATOM 299 OE2 GLU A 21 -1.438 -0.840 -6.704 1.00 1.31 O ATOM 0 H GLU A 21 3.001 -0.699 -9.430 1.00 0.29 H new ATOM 0 HA GLU A 21 0.819 -2.000 -8.234 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.274 0.401 -7.992 1.00 0.53 H new ATOM 0 HB3 GLU A 21 0.644 0.925 -8.366 1.00 0.53 H new ATOM 0 HG2 GLU A 21 1.129 -1.129 -6.212 1.00 0.79 H new ATOM 0 HG3 GLU A 21 1.363 0.576 -5.881 1.00 0.79 H new ATOM 306 N PRO A 22 -1.174 -1.782 -9.614 1.00 0.27 N ATOM 307 CA PRO A 22 -2.463 -1.683 -10.319 1.00 0.28 C ATOM 308 C PRO A 22 -3.251 -0.424 -9.954 1.00 0.30 C ATOM 309 O PRO A 22 -3.863 0.209 -10.817 1.00 0.41 O ATOM 310 CB PRO A 22 -3.221 -2.915 -9.810 1.00 0.30 C ATOM 311 CG PRO A 22 -2.597 -3.179 -8.487 1.00 0.31 C ATOM 312 CD PRO A 22 -1.145 -2.953 -8.723 1.00 0.31 C ATOM 0 HA PRO A 22 -2.325 -1.634 -11.399 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.290 -2.720 -9.719 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -3.108 -3.764 -10.484 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -2.986 -2.508 -7.721 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.793 -4.197 -8.149 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.605 -2.752 -7.798 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.666 -3.813 -9.191 1.00 0.31 H new ATOM 320 N LYS A 23 -3.222 -0.061 -8.679 1.00 0.30 N ATOM 321 CA LYS A 23 -4.059 1.012 -8.163 1.00 0.35 C ATOM 322 C LYS A 23 -3.190 2.108 -7.571 1.00 0.34 C ATOM 323 O LYS A 23 -3.282 2.423 -6.389 1.00 0.45 O ATOM 324 CB LYS A 23 -5.024 0.465 -7.113 1.00 0.42 C ATOM 325 CG LYS A 23 -4.352 -0.438 -6.098 1.00 0.44 C ATOM 326 CD LYS A 23 -5.207 -0.629 -4.871 1.00 0.77 C ATOM 327 CE LYS A 23 -4.429 -1.335 -3.780 1.00 0.73 C ATOM 328 NZ LYS A 23 -5.278 -1.602 -2.591 1.00 1.41 N ATOM 0 H LYS A 23 -2.623 -0.498 -7.979 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.642 1.435 -8.981 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -5.495 1.299 -6.592 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.819 -0.089 -7.613 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -4.146 -1.407 -6.553 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -3.392 -0.011 -5.810 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -5.553 0.339 -4.509 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -6.093 -1.210 -5.126 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -4.033 -2.275 -4.164 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -3.574 -0.725 -3.488 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -4.727 -1.430 -1.726 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -6.105 -0.972 -2.606 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -5.597 -2.592 -2.607 1.00 1.41 H new ATOM 342 N LYS A 24 -2.401 2.722 -8.438 1.00 0.29 N ATOM 343 CA LYS A 24 -1.270 3.563 -8.045 1.00 0.29 C ATOM 344 C LYS A 24 -1.638 4.717 -7.106 1.00 0.31 C ATOM 345 O LYS A 24 -0.759 5.291 -6.460 1.00 0.35 O ATOM 346 CB LYS A 24 -0.596 4.098 -9.299 1.00 0.31 C ATOM 347 CG LYS A 24 -0.235 3.001 -10.288 1.00 0.30 C ATOM 348 CD LYS A 24 0.495 3.565 -11.496 1.00 0.42 C ATOM 349 CE LYS A 24 1.045 2.470 -12.396 1.00 1.15 C ATOM 350 NZ LYS A 24 -0.001 1.497 -12.817 1.00 1.75 N ATOM 0 H LYS A 24 -2.525 2.653 -9.448 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.591 2.931 -7.472 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.258 4.815 -9.784 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.308 4.639 -9.018 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.392 2.257 -9.796 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.141 2.490 -10.614 1.00 0.30 H new ATOM 0 HD2 LYS A 24 -0.185 4.196 -12.068 1.00 0.42 H new ATOM 0 HD3 LYS A 24 1.313 4.202 -11.160 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.493 2.922 -13.281 1.00 1.15 H new ATOM 0 HE3 LYS A 24 1.840 1.939 -11.872 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 0.381 0.875 -13.557 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 -0.291 0.924 -11.999 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 -0.825 2.012 -13.189 1.00 1.75 H new ATOM 364 N ASP A 25 -2.916 5.068 -7.027 1.00 0.31 N ATOM 365 CA ASP A 25 -3.362 6.084 -6.077 1.00 0.38 C ATOM 366 C ASP A 25 -3.108 5.611 -4.648 1.00 0.31 C ATOM 367 O ASP A 25 -2.835 6.411 -3.752 1.00 0.34 O ATOM 368 CB ASP A 25 -4.849 6.398 -6.270 1.00 0.54 C ATOM 369 CG ASP A 25 -5.351 7.469 -5.315 1.00 1.32 C ATOM 370 OD1 ASP A 25 -6.134 7.141 -4.398 1.00 2.14 O ATOM 371 OD2 ASP A 25 -4.974 8.646 -5.482 1.00 1.87 O ATOM 0 H ASP A 25 -3.657 4.669 -7.603 1.00 0.31 H new ATOM 0 HA ASP A 25 -2.794 6.996 -6.259 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -5.017 6.724 -7.296 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.430 5.487 -6.126 1.00 0.54 H new ATOM 376 N LEU A 26 -3.181 4.299 -4.457 1.00 0.28 N ATOM 377 CA LEU A 26 -2.958 3.684 -3.156 1.00 0.31 C ATOM 378 C LEU A 26 -1.474 3.718 -2.799 1.00 0.25 C ATOM 379 O LEU A 26 -1.095 4.156 -1.713 1.00 0.24 O ATOM 380 CB LEU A 26 -3.473 2.236 -3.172 1.00 0.40 C ATOM 381 CG LEU A 26 -3.703 1.570 -1.806 1.00 0.58 C ATOM 382 CD1 LEU A 26 -2.392 1.266 -1.096 1.00 1.33 C ATOM 383 CD2 LEU A 26 -4.585 2.448 -0.939 1.00 1.18 C ATOM 0 H LEU A 26 -3.396 3.633 -5.199 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.505 4.246 -2.399 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.413 2.215 -3.723 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -2.762 1.628 -3.732 1.00 0.40 H new ATOM 0 HG LEU A 26 -4.206 0.619 -1.981 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -2.599 0.796 -0.135 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -1.794 0.591 -1.709 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -1.842 2.193 -0.935 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -4.741 1.966 0.026 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -4.102 3.413 -0.789 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -5.547 2.596 -1.431 1.00 1.18 H new ATOM 395 N ILE A 27 -0.639 3.242 -3.715 1.00 0.23 N ATOM 396 CA ILE A 27 0.799 3.172 -3.485 1.00 0.23 C ATOM 397 C ILE A 27 1.393 4.574 -3.276 1.00 0.22 C ATOM 398 O ILE A 27 2.343 4.750 -2.513 1.00 0.24 O ATOM 399 CB ILE A 27 1.502 2.444 -4.656 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.820 1.822 -4.211 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.719 3.373 -5.833 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.642 0.711 -3.206 1.00 0.44 C ATOM 0 H ILE A 27 -0.935 2.897 -4.628 1.00 0.23 H new ATOM 0 HA ILE A 27 0.969 2.599 -2.574 1.00 0.23 H new ATOM 0 HB ILE A 27 0.842 1.639 -4.980 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.344 1.433 -5.084 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.453 2.597 -3.778 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.215 2.831 -6.638 1.00 0.34 H new ATOM 0 HG22 ILE A 27 0.757 3.745 -6.185 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.342 4.212 -5.524 1.00 0.34 H new ATOM 0 HD11 ILE A 27 3.617 0.310 -2.930 1.00 0.44 H new ATOM 0 HD12 ILE A 27 2.145 1.100 -2.318 1.00 0.44 H new ATOM 0 HD13 ILE A 27 2.035 -0.082 -3.643 1.00 0.44 H new ATOM 409 N ALA A 28 0.806 5.567 -3.942 1.00 0.21 N ATOM 410 CA ALA A 28 1.195 6.960 -3.753 1.00 0.21 C ATOM 411 C ALA A 28 0.699 7.462 -2.408 1.00 0.21 C ATOM 412 O ALA A 28 1.317 8.312 -1.771 1.00 0.20 O ATOM 413 CB ALA A 28 0.644 7.837 -4.866 1.00 0.21 C ATOM 0 H ALA A 28 0.056 5.430 -4.620 1.00 0.21 H new ATOM 0 HA ALA A 28 2.283 7.014 -3.780 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.949 8.870 -4.700 1.00 0.21 H new ATOM 0 HB2 ALA A 28 1.032 7.494 -5.825 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.444 7.777 -4.872 1.00 0.21 H new ATOM 419 N ARG A 29 -0.441 6.945 -2.002 1.00 0.21 N ATOM 420 CA ARG A 29 -1.055 7.320 -0.744 1.00 0.21 C ATOM 421 C ARG A 29 -0.187 6.937 0.449 1.00 0.19 C ATOM 422 O ARG A 29 -0.080 7.705 1.405 1.00 0.17 O ATOM 423 CB ARG A 29 -2.408 6.660 -0.624 1.00 0.22 C ATOM 424 CG ARG A 29 -3.033 6.839 0.730 1.00 0.27 C ATOM 425 CD ARG A 29 -4.325 6.042 0.813 1.00 0.29 C ATOM 426 NE ARG A 29 -5.197 6.379 -0.318 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.300 5.719 -0.659 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.771 4.742 0.107 1.00 1.48 N ATOM 429 NH2 ARG A 29 -6.939 6.040 -1.780 1.00 1.47 N ATOM 0 H ARG A 29 -0.969 6.253 -2.534 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.166 8.404 -0.737 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.075 7.071 -1.382 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.306 5.595 -0.832 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.342 6.509 1.506 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.235 7.895 0.910 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -4.104 4.975 0.807 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.835 6.257 1.752 1.00 0.29 H new ATOM 0 HE ARG A 29 -4.936 7.184 -0.888 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -6.286 4.490 0.968 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.618 4.243 -0.166 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -6.583 6.789 -2.374 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -7.785 5.537 -2.046 1.00 1.47 H new ATOM 443 N VAL A 30 0.420 5.750 0.398 1.00 0.21 N ATOM 444 CA VAL A 30 1.321 5.313 1.465 1.00 0.23 C ATOM 445 C VAL A 30 2.373 6.385 1.686 1.00 0.19 C ATOM 446 O VAL A 30 2.657 6.786 2.810 1.00 0.17 O ATOM 447 CB VAL A 30 2.037 3.991 1.114 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.848 3.494 2.298 1.00 1.03 C ATOM 449 CG2 VAL A 30 1.047 2.931 0.662 1.00 1.10 C ATOM 0 H VAL A 30 0.306 5.080 -0.363 1.00 0.21 H new ATOM 0 HA VAL A 30 0.723 5.149 2.361 1.00 0.23 H new ATOM 0 HB VAL A 30 2.717 4.188 0.285 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.346 2.561 2.032 1.00 1.03 H new ATOM 0 HG12 VAL A 30 3.596 4.241 2.566 1.00 1.03 H new ATOM 0 HG13 VAL A 30 2.186 3.323 3.147 1.00 1.03 H new ATOM 0 HG21 VAL A 30 1.582 2.012 0.422 1.00 1.10 H new ATOM 0 HG22 VAL A 30 0.332 2.736 1.461 1.00 1.10 H new ATOM 0 HG23 VAL A 30 0.516 3.283 -0.222 1.00 1.10 H new ATOM 453 N VAL A 31 2.895 6.862 0.573 1.00 0.19 N ATOM 454 CA VAL A 31 3.829 7.971 0.533 1.00 0.19 C ATOM 455 C VAL A 31 3.283 9.188 1.273 1.00 0.17 C ATOM 456 O VAL A 31 3.920 9.714 2.185 1.00 0.20 O ATOM 457 CB VAL A 31 4.050 8.366 -0.929 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.899 9.627 -1.045 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.676 7.222 -1.711 1.00 0.22 C ATOM 0 H VAL A 31 2.677 6.482 -0.348 1.00 0.19 H new ATOM 0 HA VAL A 31 4.756 7.656 1.012 1.00 0.19 H new ATOM 0 HB VAL A 31 3.073 8.583 -1.361 1.00 0.20 H new ATOM 0 HG11 VAL A 31 5.036 9.878 -2.097 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.398 10.451 -0.537 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.871 9.455 -0.584 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.823 7.527 -2.747 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.638 6.963 -1.269 1.00 0.22 H new ATOM 0 HG23 VAL A 31 4.016 6.355 -1.678 1.00 0.22 H new ATOM 463 N ARG A 32 2.097 9.626 0.862 1.00 0.16 N ATOM 464 CA ARG A 32 1.471 10.813 1.427 1.00 0.19 C ATOM 465 C ARG A 32 1.247 10.660 2.933 1.00 0.18 C ATOM 466 O ARG A 32 1.436 11.605 3.700 1.00 0.23 O ATOM 467 CB ARG A 32 0.139 11.085 0.717 1.00 0.26 C ATOM 468 CG ARG A 32 -0.664 12.236 1.312 1.00 1.08 C ATOM 469 CD ARG A 32 -1.925 12.509 0.506 1.00 1.37 C ATOM 470 NE ARG A 32 -2.846 13.401 1.211 1.00 2.21 N ATOM 471 CZ ARG A 32 -3.924 13.958 0.660 1.00 2.78 C ATOM 472 NH1 ARG A 32 -4.158 13.835 -0.641 1.00 2.81 N ATOM 473 NH2 ARG A 32 -4.747 14.679 1.410 1.00 3.75 N ATOM 0 H ARG A 32 1.547 9.171 0.133 1.00 0.16 H new ATOM 0 HA ARG A 32 2.141 11.659 1.274 1.00 0.19 H new ATOM 0 HB2 ARG A 32 0.337 11.300 -0.333 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.468 10.180 0.748 1.00 0.26 H new ATOM 0 HG2 ARG A 32 -0.933 12.000 2.342 1.00 1.08 H new ATOM 0 HG3 ARG A 32 -0.048 13.135 1.341 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -1.654 12.952 -0.452 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -2.428 11.566 0.290 1.00 1.37 H new ATOM 0 HE ARG A 32 -2.650 13.611 2.190 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -3.510 13.310 -1.228 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -4.986 14.265 -1.053 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -4.553 14.805 2.403 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -5.573 15.107 0.993 1.00 3.75 H new ATOM 487 N ILE A 33 0.837 9.470 3.346 1.00 0.16 N ATOM 488 CA ILE A 33 0.523 9.216 4.745 1.00 0.17 C ATOM 489 C ILE A 33 1.773 9.083 5.619 1.00 0.18 C ATOM 490 O ILE A 33 1.904 9.783 6.622 1.00 0.22 O ATOM 491 CB ILE A 33 -0.349 7.951 4.899 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.684 8.129 4.162 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.591 7.635 6.368 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.516 9.290 4.669 1.00 0.80 C ATOM 0 H ILE A 33 0.714 8.665 2.732 1.00 0.16 H new ATOM 0 HA ILE A 33 -0.034 10.087 5.091 1.00 0.17 H new ATOM 0 HB ILE A 33 0.186 7.112 4.454 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.485 8.274 3.100 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -2.264 7.211 4.255 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.208 6.740 6.451 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.364 7.465 6.866 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.103 8.473 6.841 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.443 9.350 4.099 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.748 9.138 5.723 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -1.956 10.218 4.550 1.00 0.80 H new ATOM 501 N ILE A 34 2.705 8.209 5.241 1.00 0.20 N ATOM 502 CA ILE A 34 3.830 7.908 6.127 1.00 0.25 C ATOM 503 C ILE A 34 4.997 8.864 5.922 1.00 0.23 C ATOM 504 O ILE A 34 5.744 9.139 6.859 1.00 0.30 O ATOM 505 CB ILE A 34 4.335 6.450 5.987 1.00 0.30 C ATOM 506 CG1 ILE A 34 4.967 6.197 4.614 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.197 5.475 6.230 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.515 4.793 4.448 1.00 0.34 C ATOM 0 H ILE A 34 2.707 7.708 4.352 1.00 0.20 H new ATOM 0 HA ILE A 34 3.437 8.038 7.135 1.00 0.25 H new ATOM 0 HB ILE A 34 5.108 6.294 6.739 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.221 6.381 3.841 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.773 6.914 4.457 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.565 4.454 6.129 1.00 0.40 H new ATOM 0 HG22 ILE A 34 2.802 5.620 7.235 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.406 5.650 5.501 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.947 4.686 3.453 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.284 4.612 5.199 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.708 4.070 4.573 1.00 0.34 H new ATOM 515 N GLY A 35 5.146 9.381 4.712 1.00 0.23 N ATOM 516 CA GLY A 35 6.249 10.277 4.430 1.00 0.24 C ATOM 517 C GLY A 35 7.008 9.891 3.179 1.00 0.22 C ATOM 518 O GLY A 35 6.995 8.728 2.768 1.00 0.26 O ATOM 0 H GLY A 35 4.526 9.198 3.923 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.868 11.292 4.321 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.933 10.283 5.278 1.00 0.24 H new ATOM 522 N ASN A 36 7.678 10.868 2.583 1.00 0.30 N ATOM 523 CA ASN A 36 8.449 10.656 1.362 1.00 0.34 C ATOM 524 C ASN A 36 9.587 9.660 1.582 1.00 0.27 C ATOM 525 O ASN A 36 9.714 8.684 0.841 1.00 0.27 O ATOM 526 CB ASN A 36 9.013 11.985 0.831 1.00 0.46 C ATOM 527 CG ASN A 36 9.824 12.763 1.861 1.00 0.55 C ATOM 528 OD1 ASN A 36 9.528 12.746 3.055 1.00 0.91 O ATOM 529 ND2 ASN A 36 10.867 13.434 1.407 1.00 0.71 N ATOM 0 H ASN A 36 7.704 11.827 2.929 1.00 0.30 H new ATOM 0 HA ASN A 36 7.768 10.239 0.620 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.642 11.782 -0.035 1.00 0.46 H new ATOM 0 HB3 ASN A 36 8.187 12.608 0.486 1.00 0.46 H new ATOM 0 HD21 ASN A 36 11.456 13.960 2.053 1.00 0.71 H new ATOM 0 HD22 ASN A 36 11.084 13.427 0.410 1.00 0.71 H new ATOM 536 N LYS A 37 10.403 9.897 2.603 1.00 0.31 N ATOM 537 CA LYS A 37 11.528 9.019 2.891 1.00 0.33 C ATOM 538 C LYS A 37 11.033 7.697 3.452 1.00 0.27 C ATOM 539 O LYS A 37 11.582 6.641 3.152 1.00 0.31 O ATOM 540 CB LYS A 37 12.492 9.670 3.884 1.00 0.46 C ATOM 541 CG LYS A 37 13.674 8.782 4.240 1.00 1.24 C ATOM 542 CD LYS A 37 14.513 9.378 5.353 1.00 1.85 C ATOM 543 CE LYS A 37 15.683 8.476 5.704 1.00 2.58 C ATOM 544 NZ LYS A 37 16.527 9.061 6.776 1.00 3.19 N ATOM 0 H LYS A 37 10.306 10.686 3.242 1.00 0.31 H new ATOM 0 HA LYS A 37 12.061 8.839 1.957 1.00 0.33 H new ATOM 0 HB2 LYS A 37 12.862 10.605 3.462 1.00 0.46 H new ATOM 0 HB3 LYS A 37 11.949 9.924 4.794 1.00 0.46 H new ATOM 0 HG2 LYS A 37 13.312 7.800 4.544 1.00 1.24 H new ATOM 0 HG3 LYS A 37 14.295 8.633 3.357 1.00 1.24 H new ATOM 0 HD2 LYS A 37 14.884 10.356 5.048 1.00 1.85 H new ATOM 0 HD3 LYS A 37 13.893 9.533 6.236 1.00 1.85 H new ATOM 0 HE2 LYS A 37 15.309 7.504 6.025 1.00 2.58 H new ATOM 0 HE3 LYS A 37 16.290 8.306 4.815 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 17.315 8.416 6.988 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 16.904 9.977 6.460 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 15.954 9.200 7.632 1.00 3.19 H new ATOM 558 N LYS A 38 9.980 7.771 4.254 1.00 0.27 N ATOM 559 CA LYS A 38 9.403 6.595 4.893 1.00 0.27 C ATOM 560 C LYS A 38 8.945 5.570 3.857 1.00 0.24 C ATOM 561 O LYS A 38 8.961 4.368 4.115 1.00 0.32 O ATOM 562 CB LYS A 38 8.242 7.020 5.789 1.00 0.36 C ATOM 563 CG LYS A 38 8.651 8.036 6.849 1.00 1.07 C ATOM 564 CD LYS A 38 9.540 7.416 7.917 1.00 1.33 C ATOM 565 CE LYS A 38 8.718 6.639 8.934 1.00 1.33 C ATOM 566 NZ LYS A 38 7.885 7.538 9.781 1.00 2.45 N ATOM 0 H LYS A 38 9.503 8.644 4.480 1.00 0.27 H new ATOM 0 HA LYS A 38 10.169 6.117 5.504 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.450 7.445 5.172 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.826 6.139 6.279 1.00 0.36 H new ATOM 0 HG2 LYS A 38 9.178 8.864 6.374 1.00 1.07 H new ATOM 0 HG3 LYS A 38 7.759 8.452 7.316 1.00 1.07 H new ATOM 0 HD2 LYS A 38 10.266 6.752 7.449 1.00 1.33 H new ATOM 0 HD3 LYS A 38 10.104 8.199 8.424 1.00 1.33 H new ATOM 0 HE2 LYS A 38 8.073 5.930 8.414 1.00 1.33 H new ATOM 0 HE3 LYS A 38 9.384 6.056 9.570 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 7.613 7.040 10.652 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 8.431 8.389 10.025 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 7.029 7.813 9.258 1.00 2.45 H new ATOM 580 N ALA A 39 8.553 6.050 2.683 1.00 0.20 N ATOM 581 CA ALA A 39 8.182 5.171 1.582 1.00 0.22 C ATOM 582 C ALA A 39 9.421 4.499 0.986 1.00 0.24 C ATOM 583 O ALA A 39 9.386 3.325 0.617 1.00 0.29 O ATOM 584 CB ALA A 39 7.433 5.951 0.517 1.00 0.26 C ATOM 0 H ALA A 39 8.484 7.045 2.469 1.00 0.20 H new ATOM 0 HA ALA A 39 7.526 4.391 1.968 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.162 5.283 -0.300 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.530 6.381 0.949 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.069 6.750 0.136 1.00 0.26 H new ATOM 590 N ILE A 40 10.523 5.245 0.906 1.00 0.24 N ATOM 591 CA ILE A 40 11.778 4.706 0.385 1.00 0.32 C ATOM 592 C ILE A 40 12.400 3.733 1.384 1.00 0.30 C ATOM 593 O ILE A 40 13.020 2.738 0.998 1.00 0.35 O ATOM 594 CB ILE A 40 12.785 5.825 0.037 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.229 6.699 -1.092 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.135 5.236 -0.360 1.00 0.52 C ATOM 597 CD1 ILE A 40 13.200 7.748 -1.588 1.00 1.13 C ATOM 0 H ILE A 40 10.572 6.222 1.195 1.00 0.24 H new ATOM 0 HA ILE A 40 11.543 4.172 -0.536 1.00 0.32 H new ATOM 0 HB ILE A 40 12.934 6.444 0.922 1.00 0.42 H new ATOM 0 HG12 ILE A 40 11.943 6.059 -1.927 1.00 0.55 H new ATOM 0 HG13 ILE A 40 11.322 7.193 -0.743 1.00 0.55 H new ATOM 0 HG21 ILE A 40 14.827 6.043 -0.601 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.534 4.650 0.468 1.00 0.52 H new ATOM 0 HG23 ILE A 40 14.010 4.594 -1.232 1.00 0.52 H new ATOM 0 HD11 ILE A 40 12.735 8.326 -2.386 1.00 1.13 H new ATOM 0 HD12 ILE A 40 13.468 8.413 -0.767 1.00 1.13 H new ATOM 0 HD13 ILE A 40 14.098 7.262 -1.969 1.00 1.13 H new ATOM 604 N GLU A 41 12.219 4.020 2.668 1.00 0.28 N ATOM 605 CA GLU A 41 12.626 3.098 3.720 1.00 0.32 C ATOM 606 C GLU A 41 11.972 1.743 3.480 1.00 0.31 C ATOM 607 O GLU A 41 12.596 0.693 3.642 1.00 0.37 O ATOM 608 CB GLU A 41 12.223 3.640 5.094 1.00 0.38 C ATOM 609 CG GLU A 41 12.850 4.983 5.438 1.00 0.79 C ATOM 610 CD GLU A 41 14.347 4.899 5.645 1.00 1.42 C ATOM 611 OE1 GLU A 41 15.103 5.143 4.683 1.00 2.10 O ATOM 612 OE2 GLU A 41 14.770 4.591 6.776 1.00 1.57 O ATOM 0 H GLU A 41 11.793 4.884 3.005 1.00 0.28 H new ATOM 0 HA GLU A 41 13.710 2.989 3.700 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.138 3.737 5.131 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.504 2.913 5.856 1.00 0.38 H new ATOM 0 HG2 GLU A 41 12.638 5.693 4.638 1.00 0.79 H new ATOM 0 HG3 GLU A 41 12.385 5.374 6.343 1.00 0.79 H new ATOM 619 N LEU A 42 10.714 1.786 3.054 1.00 0.26 N ATOM 620 CA LEU A 42 9.972 0.581 2.731 1.00 0.25 C ATOM 621 C LEU A 42 10.551 -0.107 1.496 1.00 0.24 C ATOM 622 O LEU A 42 10.567 -1.328 1.428 1.00 0.26 O ATOM 623 CB LEU A 42 8.490 0.896 2.510 1.00 0.25 C ATOM 624 CG LEU A 42 7.723 1.362 3.750 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.260 1.578 3.413 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.859 0.361 4.889 1.00 0.28 C ATOM 0 H LEU A 42 10.188 2.650 2.925 1.00 0.26 H new ATOM 0 HA LEU A 42 10.062 -0.099 3.578 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.411 1.668 1.744 1.00 0.25 H new ATOM 0 HB3 LEU A 42 8.002 0.005 2.116 1.00 0.25 H new ATOM 0 HG LEU A 42 8.155 2.308 4.078 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.726 1.909 4.304 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.174 2.337 2.635 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.827 0.643 3.057 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.304 0.719 5.756 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.460 -0.604 4.575 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.911 0.250 5.152 1.00 0.28 H new ATOM 638 N LEU A 43 11.033 0.669 0.525 1.00 0.28 N ATOM 639 CA LEU A 43 11.640 0.090 -0.678 1.00 0.33 C ATOM 640 C LEU A 43 12.853 -0.766 -0.323 1.00 0.31 C ATOM 641 O LEU A 43 13.093 -1.805 -0.934 1.00 0.38 O ATOM 642 CB LEU A 43 12.067 1.164 -1.685 1.00 0.46 C ATOM 643 CG LEU A 43 11.003 1.653 -2.677 1.00 0.52 C ATOM 644 CD1 LEU A 43 9.721 0.835 -2.586 1.00 1.36 C ATOM 645 CD2 LEU A 43 10.730 3.131 -2.468 1.00 1.24 C ATOM 0 H LEU A 43 11.017 1.689 0.545 1.00 0.28 H new ATOM 0 HA LEU A 43 10.873 -0.532 -1.139 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.431 2.026 -1.126 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.910 0.776 -2.257 1.00 0.46 H new ATOM 0 HG LEU A 43 11.395 1.512 -3.684 1.00 0.52 H new ATOM 0 HD11 LEU A 43 8.995 1.215 -3.305 1.00 1.36 H new ATOM 0 HD12 LEU A 43 9.939 -0.210 -2.808 1.00 1.36 H new ATOM 0 HD13 LEU A 43 9.310 0.914 -1.580 1.00 1.36 H new ATOM 0 HD21 LEU A 43 9.973 3.465 -3.178 1.00 1.24 H new ATOM 0 HD22 LEU A 43 10.371 3.295 -1.452 1.00 1.24 H new ATOM 0 HD23 LEU A 43 11.649 3.696 -2.624 1.00 1.24 H new ATOM 657 N MET A 44 13.620 -0.334 0.663 1.00 0.28 N ATOM 658 CA MET A 44 14.761 -1.118 1.113 1.00 0.32 C ATOM 659 C MET A 44 14.272 -2.339 1.881 1.00 0.34 C ATOM 660 O MET A 44 14.850 -3.425 1.792 1.00 0.44 O ATOM 661 CB MET A 44 15.686 -0.285 1.999 1.00 0.33 C ATOM 662 CG MET A 44 16.202 0.981 1.338 1.00 0.93 C ATOM 663 SD MET A 44 17.295 1.924 2.419 1.00 1.99 S ATOM 664 CE MET A 44 16.271 2.049 3.884 1.00 2.20 C ATOM 0 H MET A 44 13.478 0.544 1.163 1.00 0.28 H new ATOM 0 HA MET A 44 15.326 -1.437 0.237 1.00 0.32 H new ATOM 0 HB2 MET A 44 15.153 -0.015 2.910 1.00 0.33 H new ATOM 0 HB3 MET A 44 16.536 -0.899 2.297 1.00 0.33 H new ATOM 0 HG2 MET A 44 16.736 0.719 0.425 1.00 0.93 H new ATOM 0 HG3 MET A 44 15.358 1.605 1.046 1.00 0.93 H new ATOM 0 HE1 MET A 44 16.371 3.045 4.314 1.00 2.20 H new ATOM 0 HE2 MET A 44 15.229 1.873 3.616 1.00 2.20 H new ATOM 0 HE3 MET A 44 16.589 1.305 4.614 1.00 2.20 H new ATOM 674 N GLU A 45 13.197 -2.149 2.631 1.00 0.32 N ATOM 675 CA GLU A 45 12.617 -3.211 3.434 1.00 0.42 C ATOM 676 C GLU A 45 11.935 -4.265 2.555 1.00 0.42 C ATOM 677 O GLU A 45 11.861 -5.436 2.929 1.00 0.53 O ATOM 678 CB GLU A 45 11.630 -2.626 4.445 1.00 0.48 C ATOM 679 CG GLU A 45 11.232 -3.604 5.536 1.00 1.12 C ATOM 680 CD GLU A 45 10.384 -2.965 6.616 1.00 1.39 C ATOM 681 OE1 GLU A 45 10.949 -2.261 7.479 1.00 1.78 O ATOM 682 OE2 GLU A 45 9.157 -3.186 6.622 1.00 1.83 O ATOM 0 H GLU A 45 12.705 -1.258 2.699 1.00 0.32 H new ATOM 0 HA GLU A 45 13.422 -3.707 3.976 1.00 0.42 H new ATOM 0 HB2 GLU A 45 12.073 -1.742 4.904 1.00 0.48 H new ATOM 0 HB3 GLU A 45 10.734 -2.297 3.918 1.00 0.48 H new ATOM 0 HG2 GLU A 45 10.682 -4.433 5.091 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.131 -4.024 5.987 1.00 1.12 H new ATOM 689 N THR A 46 11.446 -3.855 1.381 1.00 0.35 N ATOM 690 CA THR A 46 10.816 -4.794 0.456 1.00 0.42 C ATOM 691 C THR A 46 11.813 -5.865 0.032 1.00 0.52 C ATOM 692 O THR A 46 11.450 -7.021 -0.143 1.00 0.57 O ATOM 693 CB THR A 46 10.231 -4.108 -0.799 1.00 0.46 C ATOM 694 OG1 THR A 46 10.561 -2.722 -0.803 1.00 1.03 O ATOM 695 CG2 THR A 46 8.718 -4.262 -0.858 1.00 0.66 C ATOM 0 H THR A 46 11.475 -2.889 1.053 1.00 0.35 H new ATOM 0 HA THR A 46 9.983 -5.246 0.995 1.00 0.42 H new ATOM 0 HB THR A 46 10.666 -4.593 -1.673 1.00 0.46 H new ATOM 0 HG1 THR A 46 11.486 -2.607 -1.107 1.00 1.03 H new ATOM 0 HG21 THR A 46 8.337 -3.769 -1.752 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.461 -5.321 -0.890 1.00 0.66 H new ATOM 0 HG23 THR A 46 8.271 -3.807 0.026 1.00 0.66 H new ATOM 703 N ALA A 47 13.076 -5.469 -0.120 1.00 0.58 N ATOM 704 CA ALA A 47 14.142 -6.416 -0.431 1.00 0.71 C ATOM 705 C ALA A 47 14.353 -7.389 0.724 1.00 0.76 C ATOM 706 O ALA A 47 14.656 -8.564 0.517 1.00 0.88 O ATOM 707 CB ALA A 47 15.435 -5.682 -0.738 1.00 0.78 C ATOM 0 H ALA A 47 13.384 -4.501 -0.033 1.00 0.58 H new ATOM 0 HA ALA A 47 13.844 -6.983 -1.313 1.00 0.71 H new ATOM 0 HB1 ALA A 47 16.218 -6.405 -0.967 1.00 0.78 H new ATOM 0 HB2 ALA A 47 15.286 -5.025 -1.595 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.731 -5.089 0.127 1.00 0.78 H new ATOM 713 N GLU A 48 14.183 -6.896 1.944 1.00 0.74 N ATOM 714 CA GLU A 48 14.313 -7.732 3.129 1.00 0.85 C ATOM 715 C GLU A 48 13.165 -8.739 3.176 1.00 0.78 C ATOM 716 O GLU A 48 13.356 -9.908 3.512 1.00 0.94 O ATOM 717 CB GLU A 48 14.334 -6.864 4.390 1.00 0.94 C ATOM 718 CG GLU A 48 14.654 -7.634 5.659 1.00 1.48 C ATOM 719 CD GLU A 48 14.914 -6.726 6.844 1.00 1.79 C ATOM 720 OE1 GLU A 48 14.067 -6.668 7.757 1.00 2.51 O ATOM 721 OE2 GLU A 48 15.976 -6.068 6.869 1.00 1.88 O ATOM 0 H GLU A 48 13.955 -5.921 2.138 1.00 0.74 H new ATOM 0 HA GLU A 48 15.254 -8.280 3.083 1.00 0.85 H new ATOM 0 HB2 GLU A 48 15.071 -6.071 4.262 1.00 0.94 H new ATOM 0 HB3 GLU A 48 13.363 -6.382 4.504 1.00 0.94 H new ATOM 0 HG2 GLU A 48 13.825 -8.301 5.893 1.00 1.48 H new ATOM 0 HG3 GLU A 48 15.529 -8.261 5.488 1.00 1.48 H new ATOM 728 N VAL A 49 11.976 -8.281 2.812 1.00 0.60 N ATOM 729 CA VAL A 49 10.824 -9.163 2.686 1.00 0.55 C ATOM 730 C VAL A 49 11.009 -10.098 1.493 1.00 0.65 C ATOM 731 O VAL A 49 10.571 -11.253 1.516 1.00 0.76 O ATOM 732 CB VAL A 49 9.510 -8.366 2.523 1.00 0.47 C ATOM 733 CG1 VAL A 49 8.333 -9.307 2.371 1.00 0.57 C ATOM 734 CG2 VAL A 49 9.291 -7.449 3.712 1.00 0.59 C ATOM 0 H VAL A 49 11.783 -7.302 2.598 1.00 0.60 H new ATOM 0 HA VAL A 49 10.753 -9.747 3.604 1.00 0.55 H new ATOM 0 HB VAL A 49 9.591 -7.758 1.622 1.00 0.47 H new ATOM 0 HG11 VAL A 49 7.417 -8.728 2.257 1.00 0.57 H new ATOM 0 HG12 VAL A 49 8.479 -9.932 1.490 1.00 0.57 H new ATOM 0 HG13 VAL A 49 8.256 -9.939 3.256 1.00 0.57 H new ATOM 0 HG21 VAL A 49 8.361 -6.896 3.579 1.00 0.59 H new ATOM 0 HG22 VAL A 49 9.233 -8.043 4.624 1.00 0.59 H new ATOM 0 HG23 VAL A 49 10.122 -6.748 3.789 1.00 0.59 H new ATOM 738 N GLU A 50 11.666 -9.593 0.456 1.00 0.70 N ATOM 739 CA GLU A 50 11.971 -10.381 -0.731 1.00 0.91 C ATOM 740 C GLU A 50 12.828 -11.589 -0.385 1.00 1.07 C ATOM 741 O GLU A 50 12.566 -12.696 -0.854 1.00 1.22 O ATOM 742 CB GLU A 50 12.687 -9.527 -1.780 1.00 1.03 C ATOM 743 CG GLU A 50 11.839 -9.226 -3.001 1.00 1.14 C ATOM 744 CD GLU A 50 11.416 -10.485 -3.727 1.00 1.46 C ATOM 745 OE1 GLU A 50 10.293 -10.968 -3.480 1.00 1.81 O ATOM 746 OE2 GLU A 50 12.212 -11.011 -4.527 1.00 1.96 O ATOM 0 H GLU A 50 12.001 -8.630 0.414 1.00 0.70 H new ATOM 0 HA GLU A 50 11.024 -10.732 -1.142 1.00 0.91 H new ATOM 0 HB2 GLU A 50 12.996 -8.587 -1.322 1.00 1.03 H new ATOM 0 HB3 GLU A 50 13.595 -10.041 -2.096 1.00 1.03 H new ATOM 0 HG2 GLU A 50 10.953 -8.668 -2.698 1.00 1.14 H new ATOM 0 HG3 GLU A 50 12.400 -8.587 -3.682 1.00 1.14 H new ATOM 753 N GLN A 51 13.837 -11.377 0.447 1.00 1.10 N ATOM 754 CA GLN A 51 14.772 -12.442 0.782 1.00 1.31 C ATOM 755 C GLN A 51 14.127 -13.475 1.709 1.00 1.39 C ATOM 756 O GLN A 51 14.599 -14.606 1.809 1.00 1.61 O ATOM 757 CB GLN A 51 16.038 -11.861 1.421 1.00 1.34 C ATOM 758 CG GLN A 51 15.901 -11.523 2.894 1.00 1.24 C ATOM 759 CD GLN A 51 17.070 -10.723 3.421 1.00 1.70 C ATOM 760 OE1 GLN A 51 18.190 -10.817 2.915 1.00 2.25 O ATOM 761 NE2 GLN A 51 16.819 -9.943 4.456 1.00 2.01 N ATOM 0 H GLN A 51 14.029 -10.484 0.900 1.00 1.10 H new ATOM 0 HA GLN A 51 15.049 -12.950 -0.142 1.00 1.31 H new ATOM 0 HB2 GLN A 51 16.852 -12.576 1.299 1.00 1.34 H new ATOM 0 HB3 GLN A 51 16.322 -10.959 0.879 1.00 1.34 H new ATOM 0 HG2 GLN A 51 14.981 -10.959 3.049 1.00 1.24 H new ATOM 0 HG3 GLN A 51 15.810 -12.446 3.467 1.00 1.24 H new ATOM 0 HE21 GLN A 51 15.876 -9.896 4.843 1.00 2.01 H new ATOM 0 HE22 GLN A 51 17.568 -9.387 4.869 1.00 2.01 H new ATOM 770 N ASN A 52 13.043 -13.085 2.379 1.00 1.22 N ATOM 771 CA ASN A 52 12.367 -13.980 3.319 1.00 1.34 C ATOM 772 C ASN A 52 11.129 -14.623 2.698 1.00 1.34 C ATOM 773 O ASN A 52 10.700 -15.698 3.109 1.00 1.53 O ATOM 774 CB ASN A 52 11.969 -13.238 4.598 1.00 1.26 C ATOM 775 CG ASN A 52 13.138 -12.974 5.529 1.00 1.72 C ATOM 776 OD1 ASN A 52 13.498 -13.820 6.344 1.00 2.34 O ATOM 777 ND2 ASN A 52 13.724 -11.791 5.434 1.00 2.03 N ATOM 0 H ASN A 52 12.616 -12.163 2.290 1.00 1.22 H new ATOM 0 HA ASN A 52 13.078 -14.768 3.569 1.00 1.34 H new ATOM 0 HB2 ASN A 52 11.506 -12.288 4.329 1.00 1.26 H new ATOM 0 HB3 ASN A 52 11.216 -13.821 5.128 1.00 1.26 H new ATOM 0 HD21 ASN A 52 14.502 -11.556 6.050 1.00 2.03 H new ATOM 0 HD22 ASN A 52 13.397 -11.114 4.745 1.00 2.03 H new ATOM 784 N GLY A 53 10.559 -13.948 1.703 1.00 1.22 N ATOM 785 CA GLY A 53 9.408 -14.479 0.992 1.00 1.33 C ATOM 786 C GLY A 53 8.111 -14.362 1.778 1.00 0.94 C ATOM 787 O GLY A 53 7.291 -15.277 1.760 1.00 1.13 O ATOM 0 H GLY A 53 10.877 -13.036 1.375 1.00 1.22 H new ATOM 0 HA2 GLY A 53 9.300 -13.952 0.044 1.00 1.33 H new ATOM 0 HA3 GLY A 53 9.588 -15.527 0.755 1.00 1.33 H new ATOM 791 N GLY A 54 7.904 -13.224 2.440 1.00 0.62 N ATOM 792 CA GLY A 54 6.734 -13.067 3.297 1.00 0.72 C ATOM 793 C GLY A 54 5.676 -12.133 2.731 1.00 0.50 C ATOM 794 O GLY A 54 5.988 -11.024 2.310 1.00 0.89 O ATOM 0 H GLY A 54 8.520 -12.412 2.400 1.00 0.62 H new ATOM 0 HA2 GLY A 54 6.287 -14.046 3.467 1.00 0.72 H new ATOM 0 HA3 GLY A 54 7.055 -12.690 4.268 1.00 0.72 H new ATOM 798 N LEU A 55 4.429 -12.603 2.693 1.00 0.68 N ATOM 799 CA LEU A 55 3.275 -11.755 2.374 1.00 0.60 C ATOM 800 C LEU A 55 1.986 -12.555 2.470 1.00 0.60 C ATOM 801 O LEU A 55 1.843 -13.604 1.840 1.00 0.63 O ATOM 802 CB LEU A 55 3.399 -11.125 0.966 1.00 0.64 C ATOM 803 CG LEU A 55 2.232 -10.239 0.475 1.00 0.65 C ATOM 804 CD1 LEU A 55 1.135 -11.072 -0.163 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.658 -9.394 1.606 1.00 1.19 C ATOM 0 H LEU A 55 4.189 -13.576 2.881 1.00 0.68 H new ATOM 0 HA LEU A 55 3.253 -10.946 3.104 1.00 0.60 H new ATOM 0 HB2 LEU A 55 4.309 -10.525 0.945 1.00 0.64 H new ATOM 0 HB3 LEU A 55 3.534 -11.933 0.247 1.00 0.64 H new ATOM 0 HG LEU A 55 2.639 -9.568 -0.281 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.330 -10.418 -0.497 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.540 -11.615 -1.017 1.00 1.38 H new ATOM 0 HD13 LEU A 55 0.746 -11.782 0.567 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.839 -8.784 1.225 1.00 1.19 H new ATOM 0 HD22 LEU A 55 1.286 -10.047 2.396 1.00 1.19 H new ATOM 0 HD23 LEU A 55 2.437 -8.746 2.008 1.00 1.19 H new ATOM 817 N PHE A 56 1.061 -12.047 3.259 1.00 0.62 N ATOM 818 CA PHE A 56 -0.312 -12.508 3.231 1.00 0.66 C ATOM 819 C PHE A 56 -1.217 -11.313 2.977 1.00 0.63 C ATOM 820 O PHE A 56 -1.364 -10.438 3.829 1.00 0.71 O ATOM 821 CB PHE A 56 -0.697 -13.200 4.542 1.00 0.78 C ATOM 822 CG PHE A 56 0.062 -14.469 4.803 1.00 1.13 C ATOM 823 CD1 PHE A 56 1.132 -14.488 5.686 1.00 2.02 C ATOM 824 CD2 PHE A 56 -0.295 -15.643 4.162 1.00 1.07 C ATOM 825 CE1 PHE A 56 1.827 -15.657 5.924 1.00 2.87 C ATOM 826 CE2 PHE A 56 0.397 -16.814 4.396 1.00 1.81 C ATOM 827 CZ PHE A 56 1.461 -16.821 5.278 1.00 2.74 C ATOM 0 H PHE A 56 1.239 -11.305 3.936 1.00 0.62 H new ATOM 0 HA PHE A 56 -0.426 -13.242 2.434 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -0.529 -12.510 5.369 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -1.764 -13.423 4.525 1.00 0.78 H new ATOM 0 HD1 PHE A 56 1.424 -13.580 6.192 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.125 -15.643 3.471 1.00 1.07 H new ATOM 0 HE1 PHE A 56 2.657 -15.661 6.615 1.00 2.87 H new ATOM 0 HE2 PHE A 56 0.107 -17.723 3.891 1.00 1.81 H new ATOM 0 HZ PHE A 56 2.005 -17.736 5.462 1.00 2.74 H new ATOM 837 N ILE A 57 -1.786 -11.256 1.789 1.00 0.57 N ATOM 838 CA ILE A 57 -2.643 -10.143 1.414 1.00 0.53 C ATOM 839 C ILE A 57 -4.057 -10.334 1.929 1.00 0.58 C ATOM 840 O ILE A 57 -4.336 -11.318 2.610 1.00 0.68 O ATOM 841 CB ILE A 57 -2.682 -9.944 -0.107 1.00 0.51 C ATOM 842 CG1 ILE A 57 -2.544 -11.287 -0.805 1.00 0.53 C ATOM 843 CG2 ILE A 57 -1.612 -8.961 -0.562 1.00 0.52 C ATOM 844 CD1 ILE A 57 -2.349 -11.171 -2.289 1.00 0.61 C ATOM 0 H ILE A 57 -1.672 -11.966 1.065 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.213 -9.253 1.874 1.00 0.53 H new ATOM 0 HB ILE A 57 -3.644 -9.512 -0.381 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -1.699 -11.826 -0.376 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.435 -11.883 -0.609 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -1.665 -8.841 -1.644 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -1.776 -7.997 -0.081 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -0.628 -9.341 -0.287 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.258 -12.167 -2.723 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -3.205 -10.660 -2.730 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -1.442 -10.602 -2.493 1.00 0.61 H new ATOM 851 N MET A 58 -4.942 -9.407 1.582 1.00 0.56 N ATOM 852 CA MET A 58 -6.293 -9.397 2.124 1.00 0.61 C ATOM 853 C MET A 58 -7.017 -10.740 1.955 1.00 0.70 C ATOM 854 O MET A 58 -7.769 -11.153 2.835 1.00 0.79 O ATOM 855 CB MET A 58 -7.131 -8.254 1.532 1.00 0.75 C ATOM 856 CG MET A 58 -6.846 -7.879 0.077 1.00 0.60 C ATOM 857 SD MET A 58 -8.341 -7.225 -0.713 1.00 0.77 S ATOM 858 CE MET A 58 -7.743 -6.648 -2.300 1.00 0.91 C ATOM 0 H MET A 58 -4.746 -8.651 0.926 1.00 0.56 H new ATOM 0 HA MET A 58 -6.183 -9.227 3.195 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.184 -8.525 1.614 1.00 0.75 H new ATOM 0 HB3 MET A 58 -6.981 -7.367 2.148 1.00 0.75 H new ATOM 0 HG2 MET A 58 -6.050 -7.135 0.036 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.492 -8.754 -0.468 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.571 -6.227 -2.870 1.00 0.91 H new ATOM 0 HE2 MET A 58 -6.983 -5.882 -2.146 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.310 -7.483 -2.851 1.00 0.91 H new ATOM 868 N ASN A 59 -6.787 -11.430 0.839 1.00 0.78 N ATOM 869 CA ASN A 59 -7.462 -12.713 0.603 1.00 0.98 C ATOM 870 C ASN A 59 -6.680 -13.907 1.177 1.00 0.95 C ATOM 871 O ASN A 59 -7.275 -14.872 1.650 1.00 1.12 O ATOM 872 CB ASN A 59 -7.757 -12.930 -0.898 1.00 1.17 C ATOM 873 CG ASN A 59 -6.545 -13.308 -1.751 1.00 1.50 C ATOM 874 OD1 ASN A 59 -6.667 -14.070 -2.702 1.00 2.28 O ATOM 875 ND2 ASN A 59 -5.378 -12.764 -1.448 1.00 1.66 N ATOM 0 H ASN A 59 -6.153 -11.134 0.096 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.411 -12.660 1.137 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -8.508 -13.714 -0.995 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -8.195 -12.017 -1.302 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -4.555 -12.976 -2.011 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -5.301 -12.132 -0.651 1.00 1.66 H new ATOM 882 N GLY A 60 -5.350 -13.844 1.124 1.00 0.86 N ATOM 883 CA GLY A 60 -4.512 -14.942 1.596 1.00 0.96 C ATOM 884 C GLY A 60 -4.345 -16.034 0.555 1.00 1.09 C ATOM 885 O GLY A 60 -3.411 -16.831 0.632 1.00 1.21 O ATOM 0 H GLY A 60 -4.832 -13.045 0.759 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.531 -14.554 1.872 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.951 -15.368 2.498 1.00 0.96 H new ATOM 889 N SER A 61 -5.253 -16.068 -0.415 1.00 1.15 N ATOM 890 CA SER A 61 -5.172 -17.023 -1.507 1.00 1.32 C ATOM 891 C SER A 61 -4.028 -16.662 -2.432 1.00 1.22 C ATOM 892 O SER A 61 -3.115 -17.460 -2.653 1.00 1.35 O ATOM 893 CB SER A 61 -6.485 -17.047 -2.278 1.00 1.51 C ATOM 894 OG SER A 61 -7.523 -17.606 -1.492 1.00 2.18 O ATOM 0 H SER A 61 -6.056 -15.441 -0.464 1.00 1.15 H new ATOM 0 HA SER A 61 -4.988 -18.015 -1.095 1.00 1.32 H new ATOM 0 HB2 SER A 61 -6.755 -16.034 -2.576 1.00 1.51 H new ATOM 0 HB3 SER A 61 -6.364 -17.627 -3.193 1.00 1.51 H new ATOM 0 HG SER A 61 -8.357 -17.610 -2.006 1.00 2.18 H new ATOM 900 N ARG A 62 -4.083 -15.454 -2.977 1.00 1.08 N ATOM 901 CA ARG A 62 -2.934 -14.897 -3.650 1.00 1.05 C ATOM 902 C ARG A 62 -1.871 -14.630 -2.601 1.00 1.03 C ATOM 903 O ARG A 62 -2.181 -14.163 -1.502 1.00 1.46 O ATOM 904 CB ARG A 62 -3.298 -13.613 -4.400 1.00 1.14 C ATOM 905 CG ARG A 62 -4.264 -13.831 -5.551 1.00 1.69 C ATOM 906 CD ARG A 62 -4.537 -12.543 -6.310 1.00 1.79 C ATOM 907 NE ARG A 62 -5.421 -12.768 -7.451 1.00 2.06 N ATOM 908 CZ ARG A 62 -5.941 -11.803 -8.210 1.00 2.25 C ATOM 909 NH1 ARG A 62 -5.683 -10.525 -7.950 1.00 2.23 N ATOM 910 NH2 ARG A 62 -6.716 -12.124 -9.236 1.00 2.89 N ATOM 0 H ARG A 62 -4.906 -14.852 -2.963 1.00 1.08 H new ATOM 0 HA ARG A 62 -2.562 -15.599 -4.396 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -3.738 -12.905 -3.698 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -2.386 -13.156 -4.784 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -3.854 -14.575 -6.234 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -5.202 -14.233 -5.167 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -4.988 -11.813 -5.638 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -3.595 -12.118 -6.657 1.00 1.79 H new ATOM 0 HE ARG A 62 -5.657 -13.733 -7.684 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -5.083 -10.276 -7.164 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -6.085 -9.794 -8.536 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -6.911 -13.104 -9.441 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -7.117 -11.391 -9.821 1.00 2.89 H new ATOM 924 N ARG A 63 -0.639 -14.942 -2.919 1.00 0.89 N ATOM 925 CA ARG A 63 0.428 -14.877 -1.942 1.00 0.87 C ATOM 926 C ARG A 63 1.697 -14.375 -2.612 1.00 0.75 C ATOM 927 O ARG A 63 2.122 -14.911 -3.635 1.00 0.75 O ATOM 928 CB ARG A 63 0.627 -16.266 -1.333 1.00 0.98 C ATOM 929 CG ARG A 63 1.539 -16.303 -0.120 1.00 1.56 C ATOM 930 CD ARG A 63 1.488 -17.670 0.538 1.00 1.54 C ATOM 931 NE ARG A 63 1.794 -18.732 -0.424 1.00 2.34 N ATOM 932 CZ ARG A 63 1.763 -20.033 -0.147 1.00 2.60 C ATOM 933 NH1 ARG A 63 1.523 -20.451 1.085 1.00 2.07 N ATOM 934 NH2 ARG A 63 1.995 -20.920 -1.107 1.00 3.59 N ATOM 0 H ARG A 63 -0.346 -15.245 -3.848 1.00 0.89 H new ATOM 0 HA ARG A 63 0.174 -14.182 -1.142 1.00 0.87 H new ATOM 0 HB2 ARG A 63 -0.347 -16.667 -1.051 1.00 0.98 H new ATOM 0 HB3 ARG A 63 1.035 -16.928 -2.097 1.00 0.98 H new ATOM 0 HG2 ARG A 63 2.562 -16.074 -0.419 1.00 1.56 H new ATOM 0 HG3 ARG A 63 1.237 -15.537 0.594 1.00 1.56 H new ATOM 0 HD2 ARG A 63 2.200 -17.706 1.363 1.00 1.54 H new ATOM 0 HD3 ARG A 63 0.498 -17.835 0.964 1.00 1.54 H new ATOM 0 HE ARG A 63 2.048 -18.455 -1.372 1.00 2.34 H new ATOM 0 HH11 ARG A 63 1.360 -19.774 1.831 1.00 2.07 H new ATOM 0 HH12 ARG A 63 1.501 -21.450 1.289 1.00 2.07 H new ATOM 0 HH21 ARG A 63 2.197 -20.604 -2.056 1.00 3.59 H new ATOM 0 HH22 ARG A 63 1.972 -21.918 -0.896 1.00 3.59 H new ATOM 948 N ARG A 64 2.266 -13.325 -2.040 1.00 0.70 N ATOM 949 CA ARG A 64 3.439 -12.659 -2.595 1.00 0.62 C ATOM 950 C ARG A 64 3.164 -12.058 -3.966 1.00 0.57 C ATOM 951 O ARG A 64 3.840 -12.370 -4.946 1.00 0.77 O ATOM 952 CB ARG A 64 4.650 -13.592 -2.651 1.00 0.71 C ATOM 953 CG ARG A 64 5.363 -13.722 -1.322 1.00 0.77 C ATOM 954 CD ARG A 64 5.757 -12.351 -0.805 1.00 0.75 C ATOM 955 NE ARG A 64 7.187 -12.241 -0.541 1.00 1.06 N ATOM 956 CZ ARG A 64 8.102 -11.975 -1.475 1.00 1.34 C ATOM 957 NH1 ARG A 64 7.759 -11.855 -2.750 1.00 1.98 N ATOM 958 NH2 ARG A 64 9.371 -11.836 -1.144 1.00 1.56 N ATOM 0 H ARG A 64 1.927 -12.907 -1.173 1.00 0.70 H new ATOM 0 HA ARG A 64 3.675 -11.840 -1.916 1.00 0.62 H new ATOM 0 HB2 ARG A 64 4.325 -14.579 -2.980 1.00 0.71 H new ATOM 0 HB3 ARG A 64 5.352 -13.222 -3.398 1.00 0.71 H new ATOM 0 HG2 ARG A 64 4.715 -14.219 -0.600 1.00 0.77 H new ATOM 0 HG3 ARG A 64 6.250 -14.345 -1.436 1.00 0.77 H new ATOM 0 HD2 ARG A 64 5.467 -11.595 -1.534 1.00 0.75 H new ATOM 0 HD3 ARG A 64 5.205 -12.140 0.111 1.00 0.75 H new ATOM 0 HE ARG A 64 7.508 -12.376 0.418 1.00 1.06 H new ATOM 0 HH11 ARG A 64 6.784 -11.966 -3.028 1.00 1.98 H new ATOM 0 HH12 ARG A 64 8.470 -11.651 -3.452 1.00 1.98 H new ATOM 0 HH21 ARG A 64 9.657 -11.932 -0.170 1.00 1.56 H new ATOM 0 HH22 ARG A 64 10.066 -11.633 -1.862 1.00 1.56 H new ATOM 972 N THR A 65 2.155 -11.205 -4.028 1.00 0.44 N ATOM 973 CA THR A 65 1.948 -10.357 -5.188 1.00 0.40 C ATOM 974 C THR A 65 2.924 -9.183 -5.099 1.00 0.35 C ATOM 975 O THR A 65 3.132 -8.657 -4.012 1.00 0.33 O ATOM 976 CB THR A 65 0.483 -9.849 -5.261 1.00 0.40 C ATOM 977 OG1 THR A 65 0.342 -8.845 -6.273 1.00 0.41 O ATOM 978 CG2 THR A 65 0.024 -9.289 -3.921 1.00 0.40 C ATOM 0 H THR A 65 1.466 -11.082 -3.286 1.00 0.44 H new ATOM 0 HA THR A 65 2.131 -10.930 -6.097 1.00 0.40 H new ATOM 0 HB THR A 65 -0.144 -10.704 -5.515 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.589 -8.540 -6.304 1.00 0.41 H new ATOM 0 HG21 THR A 65 -1.006 -8.942 -4.005 1.00 0.40 H new ATOM 0 HG22 THR A 65 0.083 -10.069 -3.161 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.666 -8.455 -3.636 1.00 0.40 H new ATOM 986 N PRO A 66 3.542 -8.768 -6.221 1.00 0.36 N ATOM 987 CA PRO A 66 4.610 -7.744 -6.233 1.00 0.35 C ATOM 988 C PRO A 66 4.271 -6.523 -5.393 1.00 0.27 C ATOM 989 O PRO A 66 4.967 -6.223 -4.424 1.00 0.26 O ATOM 990 CB PRO A 66 4.706 -7.359 -7.720 1.00 0.42 C ATOM 991 CG PRO A 66 3.491 -7.962 -8.348 1.00 0.44 C ATOM 992 CD PRO A 66 3.246 -9.220 -7.580 1.00 0.43 C ATOM 0 HA PRO A 66 5.538 -8.124 -5.806 1.00 0.35 H new ATOM 0 HB2 PRO A 66 4.722 -6.277 -7.848 1.00 0.42 H new ATOM 0 HB3 PRO A 66 5.619 -7.747 -8.171 1.00 0.42 H new ATOM 0 HG2 PRO A 66 2.637 -7.287 -8.284 1.00 0.44 H new ATOM 0 HG3 PRO A 66 3.655 -8.170 -9.405 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.221 -9.576 -7.684 1.00 0.43 H new ATOM 0 HD3 PRO A 66 3.899 -10.033 -7.898 1.00 0.43 H new ATOM 1000 N GLY A 67 3.181 -5.848 -5.735 1.00 0.25 N ATOM 1001 CA GLY A 67 2.751 -4.707 -4.955 1.00 0.21 C ATOM 1002 C GLY A 67 2.315 -5.123 -3.573 1.00 0.20 C ATOM 1003 O GLY A 67 2.615 -4.456 -2.590 1.00 0.23 O ATOM 0 H GLY A 67 2.590 -6.070 -6.536 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.566 -3.987 -4.881 1.00 0.21 H new ATOM 0 HA3 GLY A 67 1.927 -4.206 -5.463 1.00 0.21 H new ATOM 1007 N GLY A 68 1.641 -6.262 -3.510 1.00 0.23 N ATOM 1008 CA GLY A 68 1.151 -6.791 -2.253 1.00 0.28 C ATOM 1009 C GLY A 68 2.250 -6.988 -1.227 1.00 0.27 C ATOM 1010 O GLY A 68 2.027 -6.805 -0.033 1.00 0.30 O ATOM 0 H GLY A 68 1.422 -6.838 -4.323 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.400 -6.113 -1.848 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.655 -7.745 -2.435 1.00 0.28 H new ATOM 1014 N VAL A 69 3.436 -7.367 -1.694 1.00 0.27 N ATOM 1015 CA VAL A 69 4.597 -7.522 -0.825 1.00 0.27 C ATOM 1016 C VAL A 69 4.906 -6.209 -0.126 1.00 0.24 C ATOM 1017 O VAL A 69 5.194 -6.178 1.068 1.00 0.23 O ATOM 1018 CB VAL A 69 5.836 -7.980 -1.619 1.00 0.31 C ATOM 1019 CG1 VAL A 69 7.043 -8.104 -0.719 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.575 -9.306 -2.289 1.00 0.74 C ATOM 0 H VAL A 69 3.618 -7.574 -2.676 1.00 0.27 H new ATOM 0 HA VAL A 69 4.357 -8.286 -0.086 1.00 0.27 H new ATOM 0 HB VAL A 69 6.039 -7.224 -2.378 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.902 -8.429 -1.306 1.00 0.64 H new ATOM 0 HG12 VAL A 69 7.258 -7.137 -0.264 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.840 -8.836 0.063 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.461 -9.613 -2.845 1.00 0.74 H new ATOM 0 HG22 VAL A 69 5.343 -10.056 -1.533 1.00 0.74 H new ATOM 0 HG23 VAL A 69 4.733 -9.208 -2.974 1.00 0.74 H new ATOM 1024 N PHE A 70 4.833 -5.123 -0.880 1.00 0.22 N ATOM 1025 CA PHE A 70 4.978 -3.800 -0.308 1.00 0.20 C ATOM 1026 C PHE A 70 3.814 -3.510 0.638 1.00 0.20 C ATOM 1027 O PHE A 70 3.992 -2.869 1.666 1.00 0.20 O ATOM 1028 CB PHE A 70 5.063 -2.736 -1.406 1.00 0.22 C ATOM 1029 CG PHE A 70 5.066 -1.330 -0.881 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.890 -0.762 -0.426 1.00 0.23 C ATOM 1031 CD2 PHE A 70 6.233 -0.583 -0.825 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.865 0.511 0.076 1.00 0.26 C ATOM 1033 CE2 PHE A 70 6.219 0.702 -0.326 1.00 0.24 C ATOM 1034 CZ PHE A 70 5.032 1.251 0.127 1.00 0.25 C ATOM 0 H PHE A 70 4.674 -5.135 -1.888 1.00 0.22 H new ATOM 0 HA PHE A 70 5.908 -3.767 0.260 1.00 0.20 H new ATOM 0 HB2 PHE A 70 5.969 -2.899 -1.989 1.00 0.22 H new ATOM 0 HB3 PHE A 70 4.220 -2.859 -2.086 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.975 -1.333 -0.468 1.00 0.23 H new ATOM 0 HD2 PHE A 70 7.160 -1.011 -1.175 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.938 0.936 0.431 1.00 0.26 H new ATOM 0 HE2 PHE A 70 7.131 1.279 -0.289 1.00 0.24 H new ATOM 0 HZ PHE A 70 5.017 2.257 0.520 1.00 0.25 H new ATOM 1044 N LEU A 71 2.612 -3.971 0.293 1.00 0.21 N ATOM 1045 CA LEU A 71 1.458 -3.774 1.175 1.00 0.24 C ATOM 1046 C LEU A 71 1.760 -4.409 2.526 1.00 0.24 C ATOM 1047 O LEU A 71 1.334 -3.907 3.570 1.00 0.26 O ATOM 1048 CB LEU A 71 0.147 -4.382 0.633 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.474 -3.792 -0.646 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.742 -3.035 -0.332 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.489 -2.882 -1.354 1.00 0.30 C ATOM 0 H LEU A 71 2.412 -4.473 -0.572 1.00 0.21 H new ATOM 0 HA LEU A 71 1.303 -2.698 1.250 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.325 -5.442 0.454 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.600 -4.313 1.424 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.711 -4.629 -1.302 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.160 -2.628 -1.253 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.464 -3.710 0.128 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.518 -2.220 0.356 1.00 0.32 H new ATOM 0 HD21 LEU A 71 0.019 -2.483 -2.253 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.766 -2.060 -0.693 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.382 -3.442 -1.630 1.00 0.30 H new ATOM 1063 N ASN A 72 2.499 -5.522 2.490 1.00 0.24 N ATOM 1064 CA ASN A 72 2.916 -6.227 3.702 1.00 0.27 C ATOM 1065 C ASN A 72 3.759 -5.311 4.579 1.00 0.26 C ATOM 1066 O ASN A 72 3.727 -5.404 5.802 1.00 0.34 O ATOM 1067 CB ASN A 72 3.716 -7.487 3.363 1.00 0.31 C ATOM 1068 CG ASN A 72 3.927 -8.380 4.574 1.00 0.46 C ATOM 1069 OD1 ASN A 72 3.111 -8.395 5.496 1.00 1.08 O ATOM 1070 ND2 ASN A 72 5.008 -9.140 4.571 1.00 0.67 N ATOM 0 H ASN A 72 2.822 -5.956 1.625 1.00 0.24 H new ATOM 0 HA ASN A 72 2.016 -6.523 4.241 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.195 -8.048 2.587 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.684 -7.200 2.953 1.00 0.31 H new ATOM 0 HD21 ASN A 72 5.191 -9.769 5.353 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.659 -9.097 3.787 1.00 0.67 H new ATOM 1077 N LEU A 73 4.476 -4.402 3.935 1.00 0.23 N ATOM 1078 CA LEU A 73 5.355 -3.465 4.623 1.00 0.25 C ATOM 1079 C LEU A 73 4.606 -2.613 5.628 1.00 0.36 C ATOM 1080 O LEU A 73 5.147 -2.264 6.659 1.00 0.46 O ATOM 1081 CB LEU A 73 6.064 -2.570 3.619 1.00 0.23 C ATOM 1082 CG LEU A 73 7.081 -3.292 2.753 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.689 -2.337 1.751 1.00 0.35 C ATOM 1084 CD2 LEU A 73 8.145 -3.899 3.639 1.00 0.27 C ATOM 0 H LEU A 73 4.466 -4.292 2.921 1.00 0.23 H new ATOM 0 HA LEU A 73 6.090 -4.056 5.169 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.319 -2.105 2.974 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.567 -1.766 4.157 1.00 0.23 H new ATOM 0 HG LEU A 73 6.589 -4.089 2.196 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.416 -2.868 1.137 1.00 0.35 H new ATOM 0 HD12 LEU A 73 6.904 -1.930 1.113 1.00 0.35 H new ATOM 0 HD13 LEU A 73 8.186 -1.523 2.279 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.878 -4.419 3.023 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.641 -3.110 4.205 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.684 -4.606 4.329 1.00 0.27 H new ATOM 1096 N LEU A 74 3.366 -2.268 5.337 1.00 0.41 N ATOM 1097 CA LEU A 74 2.573 -1.490 6.281 1.00 0.58 C ATOM 1098 C LEU A 74 2.295 -2.299 7.556 1.00 0.66 C ATOM 1099 O LEU A 74 1.974 -1.746 8.597 1.00 0.80 O ATOM 1100 CB LEU A 74 1.270 -0.987 5.648 1.00 0.63 C ATOM 1101 CG LEU A 74 1.424 0.168 4.641 1.00 0.49 C ATOM 1102 CD1 LEU A 74 1.968 -0.334 3.310 1.00 1.08 C ATOM 1103 CD2 LEU A 74 0.095 0.897 4.442 1.00 0.78 C ATOM 0 H LEU A 74 2.888 -2.508 4.469 1.00 0.41 H new ATOM 0 HA LEU A 74 3.157 -0.612 6.557 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.785 -1.823 5.144 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.600 -0.664 6.445 1.00 0.63 H new ATOM 0 HG LEU A 74 2.143 0.876 5.053 1.00 0.49 H new ATOM 0 HD11 LEU A 74 2.066 0.503 2.618 1.00 1.08 H new ATOM 0 HD12 LEU A 74 2.944 -0.793 3.466 1.00 1.08 H new ATOM 0 HD13 LEU A 74 1.283 -1.072 2.892 1.00 1.08 H new ATOM 0 HD21 LEU A 74 0.229 1.709 3.727 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.650 0.198 4.063 1.00 0.78 H new ATOM 0 HD23 LEU A 74 -0.242 1.305 5.395 1.00 0.78 H new ATOM 1115 N LYS A 75 2.411 -3.615 7.465 1.00 0.66 N ATOM 1116 CA LYS A 75 2.283 -4.480 8.637 1.00 0.82 C ATOM 1117 C LYS A 75 3.651 -4.740 9.252 1.00 0.77 C ATOM 1118 O LYS A 75 3.790 -4.874 10.466 1.00 0.95 O ATOM 1119 CB LYS A 75 1.668 -5.817 8.245 1.00 1.04 C ATOM 1120 CG LYS A 75 0.182 -5.767 7.969 1.00 0.81 C ATOM 1121 CD LYS A 75 -0.167 -6.626 6.770 1.00 0.71 C ATOM 1122 CE LYS A 75 0.164 -5.905 5.478 1.00 0.70 C ATOM 1123 NZ LYS A 75 -0.645 -4.683 5.331 1.00 1.93 N ATOM 0 H LYS A 75 2.594 -4.111 6.593 1.00 0.66 H new ATOM 0 HA LYS A 75 1.641 -3.976 9.359 1.00 0.82 H new ATOM 0 HB2 LYS A 75 2.177 -6.190 7.357 1.00 1.04 H new ATOM 0 HB3 LYS A 75 1.852 -6.535 9.044 1.00 1.04 H new ATOM 0 HG2 LYS A 75 -0.368 -6.114 8.844 1.00 0.81 H new ATOM 0 HG3 LYS A 75 -0.125 -4.737 7.787 1.00 0.81 H new ATOM 0 HD2 LYS A 75 0.382 -7.566 6.818 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -1.228 -6.875 6.792 1.00 0.71 H new ATOM 0 HE2 LYS A 75 1.223 -5.648 5.462 1.00 0.70 H new ATOM 0 HE3 LYS A 75 -0.016 -6.568 4.632 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 -0.436 -4.236 4.416 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 -1.655 -4.928 5.374 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -0.417 -4.021 6.100 1.00 1.93 H new ATOM 1137 N ASN A 76 4.648 -4.819 8.390 1.00 0.64 N ATOM 1138 CA ASN A 76 5.996 -5.192 8.789 1.00 0.69 C ATOM 1139 C ASN A 76 6.792 -3.965 9.232 1.00 0.61 C ATOM 1140 O ASN A 76 7.854 -4.085 9.846 1.00 0.79 O ATOM 1141 CB ASN A 76 6.682 -5.894 7.611 1.00 0.81 C ATOM 1142 CG ASN A 76 8.049 -6.445 7.953 1.00 1.22 C ATOM 1143 OD1 ASN A 76 8.172 -7.553 8.479 1.00 1.80 O ATOM 1144 ND2 ASN A 76 9.085 -5.692 7.637 1.00 2.12 N ATOM 0 H ASN A 76 4.548 -4.627 7.393 1.00 0.64 H new ATOM 0 HA ASN A 76 5.949 -5.872 9.640 1.00 0.69 H new ATOM 0 HB2 ASN A 76 6.047 -6.709 7.263 1.00 0.81 H new ATOM 0 HB3 ASN A 76 6.779 -5.190 6.784 1.00 0.81 H new ATOM 0 HD21 ASN A 76 10.032 -6.021 7.827 1.00 2.12 H new ATOM 0 HD22 ASN A 76 8.939 -4.781 7.203 1.00 2.12 H new ATOM 1151 N THR A 77 6.252 -2.790 8.930 1.00 0.54 N ATOM 1152 CA THR A 77 6.909 -1.531 9.237 1.00 0.60 C ATOM 1153 C THR A 77 7.078 -1.363 10.743 1.00 0.56 C ATOM 1154 O THR A 77 6.146 -1.562 11.527 1.00 0.61 O ATOM 1155 CB THR A 77 6.147 -0.321 8.646 1.00 0.75 C ATOM 1156 OG1 THR A 77 6.915 0.876 8.830 1.00 0.94 O ATOM 1157 CG2 THR A 77 4.772 -0.153 9.283 1.00 0.78 C ATOM 0 H THR A 77 5.349 -2.686 8.467 1.00 0.54 H new ATOM 0 HA THR A 77 7.894 -1.561 8.771 1.00 0.60 H new ATOM 0 HB THR A 77 6.002 -0.508 7.582 1.00 0.75 H new ATOM 0 HG1 THR A 77 7.117 1.273 7.957 1.00 0.94 H new ATOM 0 HG21 THR A 77 4.269 0.707 8.841 1.00 0.78 H new ATOM 0 HG22 THR A 77 4.178 -1.050 9.108 1.00 0.78 H new ATOM 0 HG23 THR A 77 4.885 0.004 10.356 1.00 0.78 H new ATOM 1165 N PRO A 78 8.300 -1.027 11.159 1.00 0.63 N ATOM 1166 CA PRO A 78 8.689 -0.992 12.563 1.00 0.67 C ATOM 1167 C PRO A 78 8.134 0.216 13.327 1.00 0.70 C ATOM 1168 O PRO A 78 7.713 0.093 14.480 1.00 0.84 O ATOM 1169 CB PRO A 78 10.232 -0.951 12.502 1.00 0.92 C ATOM 1170 CG PRO A 78 10.594 -1.115 11.057 1.00 1.00 C ATOM 1171 CD PRO A 78 9.414 -0.630 10.290 1.00 0.84 C ATOM 0 HA PRO A 78 8.289 -1.847 13.109 1.00 0.67 H new ATOM 0 HB2 PRO A 78 10.613 -0.008 12.895 1.00 0.92 H new ATOM 0 HB3 PRO A 78 10.667 -1.747 13.106 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.486 -0.540 10.809 1.00 1.00 H new ATOM 0 HG3 PRO A 78 10.812 -2.157 10.823 1.00 1.00 H new ATOM 0 HD2 PRO A 78 9.445 0.448 10.133 1.00 0.84 H new ATOM 0 HD3 PRO A 78 9.349 -1.094 9.306 1.00 0.84 H new ATOM 1179 N SER A 79 8.128 1.381 12.687 1.00 0.75 N ATOM 1180 CA SER A 79 7.883 2.633 13.401 1.00 0.96 C ATOM 1181 C SER A 79 6.564 3.322 13.024 1.00 0.91 C ATOM 1182 O SER A 79 6.387 4.506 13.320 1.00 1.06 O ATOM 1183 CB SER A 79 9.047 3.588 13.146 1.00 1.23 C ATOM 1184 OG SER A 79 10.282 2.987 13.495 1.00 1.49 O ATOM 0 H SER A 79 8.288 1.486 11.685 1.00 0.75 H new ATOM 0 HA SER A 79 7.800 2.378 14.457 1.00 0.96 H new ATOM 0 HB2 SER A 79 9.063 3.876 12.095 1.00 1.23 H new ATOM 0 HB3 SER A 79 8.906 4.501 13.724 1.00 1.23 H new ATOM 0 HG SER A 79 11.013 3.617 13.322 1.00 1.49 H new ATOM 1190 N ILE A 80 5.640 2.620 12.381 1.00 0.76 N ATOM 1191 CA ILE A 80 4.390 3.260 11.967 1.00 0.76 C ATOM 1192 C ILE A 80 3.197 2.704 12.738 1.00 0.74 C ATOM 1193 O ILE A 80 3.095 1.499 12.971 1.00 0.67 O ATOM 1194 CB ILE A 80 4.143 3.116 10.448 1.00 0.69 C ATOM 1195 CG1 ILE A 80 5.361 3.628 9.670 1.00 0.89 C ATOM 1196 CG2 ILE A 80 2.888 3.882 10.036 1.00 0.76 C ATOM 1197 CD1 ILE A 80 5.245 3.459 8.171 1.00 1.21 C ATOM 0 H ILE A 80 5.724 1.633 12.138 1.00 0.76 H new ATOM 0 HA ILE A 80 4.494 4.320 12.197 1.00 0.76 H new ATOM 0 HB ILE A 80 3.993 2.062 10.215 1.00 0.69 H new ATOM 0 HG12 ILE A 80 5.507 4.684 9.897 1.00 0.89 H new ATOM 0 HG13 ILE A 80 6.250 3.101 10.018 1.00 0.89 H new ATOM 0 HG21 ILE A 80 2.729 3.770 8.963 1.00 0.76 H new ATOM 0 HG22 ILE A 80 2.027 3.486 10.574 1.00 0.76 H new ATOM 0 HG23 ILE A 80 3.011 4.938 10.276 1.00 0.76 H new ATOM 0 HD11 ILE A 80 6.144 3.844 7.691 1.00 1.21 H new ATOM 0 HD12 ILE A 80 5.130 2.402 7.932 1.00 1.21 H new ATOM 0 HD13 ILE A 80 4.376 4.009 7.809 1.00 1.21 H new ATOM 1204 N SER A 81 2.311 3.604 13.148 1.00 0.90 N ATOM 1205 CA SER A 81 1.118 3.242 13.895 1.00 1.01 C ATOM 1206 C SER A 81 0.079 2.581 12.985 1.00 0.88 C ATOM 1207 O SER A 81 -0.114 2.987 11.836 1.00 0.74 O ATOM 1208 CB SER A 81 0.533 4.498 14.545 1.00 1.26 C ATOM 1209 OG SER A 81 1.524 5.202 15.280 1.00 1.79 O ATOM 0 H SER A 81 2.402 4.604 12.971 1.00 0.90 H new ATOM 0 HA SER A 81 1.389 2.522 14.667 1.00 1.01 H new ATOM 0 HB2 SER A 81 0.115 5.148 13.776 1.00 1.26 H new ATOM 0 HB3 SER A 81 -0.287 4.220 15.207 1.00 1.26 H new ATOM 0 HG SER A 81 1.126 6.001 15.684 1.00 1.79 H new ATOM 1215 N GLU A 82 -0.592 1.566 13.533 1.00 0.99 N ATOM 1216 CA GLU A 82 -1.538 0.737 12.784 1.00 0.96 C ATOM 1217 C GLU A 82 -2.725 1.530 12.247 1.00 0.84 C ATOM 1218 O GLU A 82 -3.327 1.135 11.248 1.00 0.75 O ATOM 1219 CB GLU A 82 -2.043 -0.418 13.648 1.00 1.22 C ATOM 1220 CG GLU A 82 -1.011 -1.505 13.877 1.00 1.50 C ATOM 1221 CD GLU A 82 -1.556 -2.650 14.700 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -2.469 -3.355 14.219 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -1.068 -2.855 15.832 1.00 2.75 O ATOM 0 H GLU A 82 -0.494 1.295 14.512 1.00 0.99 H new ATOM 0 HA GLU A 82 -0.991 0.346 11.926 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -2.364 -0.025 14.613 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -2.921 -0.857 13.175 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -0.666 -1.884 12.915 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -0.144 -1.079 14.381 1.00 1.50 H new ATOM 1230 N GLU A 83 -3.084 2.619 12.920 1.00 0.90 N ATOM 1231 CA GLU A 83 -4.187 3.456 12.461 1.00 0.87 C ATOM 1232 C GLU A 83 -3.915 3.953 11.045 1.00 0.74 C ATOM 1233 O GLU A 83 -4.777 3.871 10.169 1.00 0.73 O ATOM 1234 CB GLU A 83 -4.393 4.650 13.391 1.00 1.05 C ATOM 1235 CG GLU A 83 -5.680 5.408 13.113 1.00 1.30 C ATOM 1236 CD GLU A 83 -6.902 4.691 13.647 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -7.522 5.195 14.605 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -7.249 3.618 13.113 1.00 2.06 O ATOM 0 H GLU A 83 -2.632 2.940 13.776 1.00 0.90 H new ATOM 0 HA GLU A 83 -5.094 2.851 12.467 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -4.400 4.301 14.424 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -3.548 5.331 13.290 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -5.619 6.399 13.563 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -5.788 5.552 12.038 1.00 1.30 H new ATOM 1245 N GLN A 84 -2.696 4.442 10.829 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.270 4.916 9.517 1.00 0.68 C ATOM 1247 C GLN A 84 -2.339 3.780 8.510 1.00 0.56 C ATOM 1248 O GLN A 84 -2.743 3.967 7.366 1.00 0.59 O ATOM 1249 CB GLN A 84 -0.836 5.450 9.581 1.00 0.76 C ATOM 1250 CG GLN A 84 -0.622 6.522 10.636 1.00 1.11 C ATOM 1251 CD GLN A 84 -1.474 7.752 10.405 1.00 1.60 C ATOM 1252 OE1 GLN A 84 -1.799 8.102 9.272 1.00 2.31 O ATOM 1253 NE2 GLN A 84 -1.843 8.417 11.482 1.00 2.28 N ATOM 0 H GLN A 84 -1.982 4.520 11.553 1.00 0.73 H new ATOM 0 HA GLN A 84 -2.936 5.721 9.207 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -0.159 4.619 9.779 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -0.566 5.856 8.606 1.00 0.76 H new ATOM 0 HG2 GLN A 84 -0.848 6.108 11.619 1.00 1.11 H new ATOM 0 HG3 GLN A 84 0.429 6.811 10.646 1.00 1.11 H new ATOM 0 HE21 GLN A 84 -1.553 8.094 12.405 1.00 2.28 H new ATOM 0 HE22 GLN A 84 -2.419 9.254 11.392 1.00 2.28 H new ATOM 1262 N ILE A 85 -1.961 2.596 8.964 1.00 0.50 N ATOM 1263 CA ILE A 85 -1.954 1.405 8.127 1.00 0.45 C ATOM 1264 C ILE A 85 -3.356 1.108 7.604 1.00 0.43 C ATOM 1265 O ILE A 85 -3.561 0.923 6.402 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.422 0.193 8.921 1.00 0.46 C ATOM 1267 CG1 ILE A 85 -0.064 0.531 9.548 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.320 -1.044 8.041 1.00 0.47 C ATOM 1269 CD1 ILE A 85 0.951 1.065 8.560 1.00 1.41 C ATOM 0 H ILE A 85 -1.651 2.433 9.922 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.295 1.589 7.278 1.00 0.45 H new ATOM 0 HB ILE A 85 -2.131 -0.032 9.718 1.00 0.46 H new ATOM 0 HG12 ILE A 85 -0.212 1.269 10.336 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.340 -0.364 10.021 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.942 -1.880 8.630 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.306 -1.293 7.648 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.639 -0.847 7.213 1.00 0.47 H new ATOM 0 HD11 ILE A 85 1.885 1.281 9.079 1.00 1.41 H new ATOM 0 HD12 ILE A 85 1.130 0.321 7.784 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.570 1.979 8.105 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.317 1.080 8.521 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.721 0.894 8.171 1.00 0.50 C ATOM 1278 C LYS A 86 -6.189 2.015 7.248 1.00 0.41 C ATOM 1279 O LYS A 86 -6.875 1.781 6.252 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.576 0.891 9.442 1.00 0.59 C ATOM 1281 CG LYS A 86 -8.071 0.887 9.183 1.00 0.71 C ATOM 1282 CD LYS A 86 -8.831 1.546 10.321 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.708 3.062 10.254 1.00 1.90 C ATOM 1284 NZ LYS A 86 -9.276 3.727 11.456 1.00 2.45 N ATOM 0 H LYS A 86 -4.147 1.185 9.521 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.829 -0.060 7.656 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -6.319 0.015 10.038 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.324 1.768 10.039 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.282 1.411 8.251 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -8.418 -0.139 9.058 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -9.882 1.261 10.274 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -8.445 1.188 11.276 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -7.658 3.335 10.153 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -9.220 3.427 9.363 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -9.278 4.757 11.314 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -10.250 3.396 11.608 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -8.698 3.493 12.288 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.794 3.230 7.586 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.258 4.415 6.881 1.00 0.31 C ATOM 1300 C ASP A 87 -5.804 4.419 5.423 1.00 0.29 C ATOM 1301 O ASP A 87 -6.529 4.885 4.544 1.00 0.35 O ATOM 1302 CB ASP A 87 -5.758 5.672 7.600 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.330 6.957 7.033 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.490 7.288 7.357 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -5.607 7.660 6.293 1.00 1.70 O ATOM 0 H ASP A 87 -5.148 3.424 8.351 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.348 4.405 6.882 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -6.015 5.604 8.657 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -4.670 5.709 7.538 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.616 3.886 5.164 1.00 0.26 N ATOM 1311 CA ILE A 88 -4.064 3.898 3.816 1.00 0.27 C ATOM 1312 C ILE A 88 -4.816 2.955 2.876 1.00 0.31 C ATOM 1313 O ILE A 88 -5.574 3.409 2.026 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.560 3.543 3.802 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.767 4.596 4.580 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -2.045 3.442 2.368 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.283 4.315 4.654 1.00 0.42 C ATOM 0 H ILE A 88 -4.021 3.443 5.864 1.00 0.26 H new ATOM 0 HA ILE A 88 -4.187 4.919 3.456 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.426 2.574 4.282 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.920 5.569 4.114 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.165 4.662 5.593 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.984 3.191 2.379 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -2.596 2.665 1.837 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -2.187 4.397 1.862 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.209 5.105 5.221 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.118 3.358 5.148 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.131 4.279 3.646 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.641 1.651 3.041 1.00 0.33 N ATOM 1325 CA PHE A 89 -5.124 0.705 2.034 1.00 0.41 C ATOM 1326 C PHE A 89 -6.362 -0.064 2.473 1.00 0.44 C ATOM 1327 O PHE A 89 -7.053 -0.648 1.644 1.00 0.52 O ATOM 1328 CB PHE A 89 -4.011 -0.275 1.634 1.00 0.45 C ATOM 1329 CG PHE A 89 -3.320 -0.967 2.783 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.005 -1.376 2.658 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -3.973 -1.207 3.981 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -1.363 -2.005 3.700 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -3.336 -1.834 5.025 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.031 -2.233 4.885 1.00 0.51 C ATOM 0 H PHE A 89 -4.178 1.226 3.844 1.00 0.33 H new ATOM 0 HA PHE A 89 -5.415 1.304 1.171 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -4.436 -1.034 0.977 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -3.263 0.266 1.054 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -1.476 -1.200 1.733 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -5.001 -0.896 4.097 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -0.336 -2.320 3.590 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -3.861 -2.012 5.952 1.00 0.49 H new ATOM 0 HZ PHE A 89 -1.526 -2.726 5.703 1.00 0.51 H new ATOM 1344 N TYR A 90 -6.650 -0.057 3.761 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.734 -0.871 4.279 1.00 0.53 C ATOM 1346 C TYR A 90 -9.075 -0.216 3.976 1.00 0.56 C ATOM 1347 O TYR A 90 -10.108 -0.879 3.898 1.00 0.71 O ATOM 1348 CB TYR A 90 -7.552 -1.087 5.777 1.00 0.56 C ATOM 1349 CG TYR A 90 -8.621 -1.948 6.396 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -9.608 -1.370 7.174 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -8.659 -3.325 6.194 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -10.609 -2.124 7.735 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -9.659 -4.093 6.756 1.00 0.91 C ATOM 1354 CZ TYR A 90 -10.633 -3.490 7.524 1.00 0.96 C ATOM 1355 OH TYR A 90 -11.638 -4.256 8.075 1.00 1.13 O ATOM 0 H TYR A 90 -6.155 0.496 4.461 1.00 0.44 H new ATOM 0 HA TYR A 90 -7.718 -1.845 3.790 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -6.579 -1.546 5.954 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -7.543 -0.118 6.277 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -9.591 -0.304 7.344 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -7.898 -3.798 5.591 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -11.372 -1.653 8.337 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -9.679 -5.161 6.595 1.00 0.91 H new ATOM 0 HH TYR A 90 -11.506 -5.195 7.828 1.00 1.13 H new ATOM 1365 N ILE A 91 -9.044 1.094 3.805 1.00 0.48 N ATOM 1366 CA ILE A 91 -10.221 1.833 3.386 1.00 0.53 C ATOM 1367 C ILE A 91 -10.367 1.752 1.868 1.00 0.61 C ATOM 1368 O ILE A 91 -11.465 1.891 1.321 1.00 0.86 O ATOM 1369 CB ILE A 91 -10.130 3.312 3.821 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.846 3.406 5.320 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.416 4.050 3.487 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.635 4.824 5.807 1.00 0.51 C ATOM 0 H ILE A 91 -8.214 1.669 3.950 1.00 0.48 H new ATOM 0 HA ILE A 91 -11.094 1.387 3.864 1.00 0.53 H new ATOM 0 HB ILE A 91 -9.311 3.780 3.275 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.677 2.962 5.868 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.960 2.815 5.552 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.331 5.090 3.802 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.590 4.009 2.412 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -12.251 3.581 4.008 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.438 4.815 6.879 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.785 5.265 5.286 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.529 5.414 5.607 1.00 0.51 H new