USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 582 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 26 CYS SG : rot -135:sc= 0.221 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -1.1 K(o=1.3,f=0.15) USER MOD Set 1.3: A 30 TYR OH : rot -40:sc= 0.223 USER MOD Set 1.4: A 51 CYS SG : rot -115:sc= 1.39 USER MOD Set 1.5: A 56 CYS SG : rot -159:sc= 0.544 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -1.01 USER MOD Single : A 13 THR OG1 : rot 170:sc= -0.683 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -178:sc= 0 (180deg=-0.0047) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= 1.08 (180deg=-0.0675) USER MOD Single : A 22 LYS NZ :NH3+ -107:sc= -0.187 (180deg=-2.09!) USER MOD Single : A 23 ASN : amide:sc= -4! C(o=-4!,f=-4.7!) USER MOD Single : A 24 LYS NZ :NH3+ -92:sc= -0.165 (180deg=-0.93) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 161:sc= -0.0103 (180deg=-0.467) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.0162 (180deg=-0.174) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.0203 (180deg=-0.205) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 53 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.25) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-5.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00473 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 0.733 9.349 8.073 1.00 0.00 N ATOM 67 CA PHE A 8 0.071 8.051 8.133 1.00 0.00 C ATOM 68 C PHE A 8 1.047 6.961 8.566 1.00 0.00 C ATOM 69 O PHE A 8 2.028 6.679 7.877 1.00 0.00 O ATOM 70 CB PHE A 8 -0.532 7.699 6.771 1.00 0.00 C ATOM 71 CG PHE A 8 -1.895 8.290 6.548 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.022 7.685 7.078 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.048 9.452 5.807 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.278 8.226 6.874 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.301 9.998 5.601 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.417 9.384 6.134 1.00 0.00 C ATOM 0 HA PHE A 8 -0.728 8.113 8.872 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.139 8.046 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.596 6.615 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.919 6.780 7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.179 9.936 5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.149 7.744 7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.407 10.904 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.397 9.808 5.973 1.00 0.00 H new ATOM 86 N THR A 9 0.771 6.351 9.715 1.00 0.00 N ATOM 87 CA THR A 9 1.625 5.294 10.242 1.00 0.00 C ATOM 88 C THR A 9 0.838 4.006 10.452 1.00 0.00 C ATOM 89 O THR A 9 -0.296 4.031 10.932 1.00 0.00 O ATOM 90 CB THR A 9 2.273 5.709 11.577 1.00 0.00 C ATOM 91 OG1 THR A 9 1.577 6.830 12.132 1.00 0.00 O ATOM 92 CG2 THR A 9 3.739 6.063 11.379 1.00 0.00 C ATOM 0 H THR A 9 -0.037 6.571 10.298 1.00 0.00 H new ATOM 0 HA THR A 9 2.408 5.122 9.504 1.00 0.00 H new ATOM 0 HB THR A 9 2.209 4.866 12.265 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.994 7.086 12.981 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.176 6.353 12.335 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.272 5.198 10.984 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.821 6.892 10.676 1.00 0.00 H new ATOM 100 N CYS A 10 1.445 2.881 10.090 1.00 0.00 N ATOM 101 CA CYS A 10 0.800 1.581 10.239 1.00 0.00 C ATOM 102 C CYS A 10 1.009 1.029 11.645 1.00 0.00 C ATOM 103 O CYS A 10 2.125 0.988 12.164 1.00 0.00 O ATOM 104 CB CYS A 10 1.347 0.596 9.205 1.00 0.00 C ATOM 105 SG CYS A 10 0.350 -0.900 9.011 1.00 0.00 S ATOM 0 H CYS A 10 2.383 2.843 9.691 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.270 1.712 10.075 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.418 1.100 8.241 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.359 0.311 9.491 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.890 -0.571 8.801 1.00 0.00 H new ATOM 111 N PRO A 11 -0.091 0.594 12.279 1.00 0.00 N ATOM 112 CA PRO A 11 -0.054 0.037 13.635 1.00 0.00 C ATOM 113 C PRO A 11 0.631 -1.324 13.684 1.00 0.00 C ATOM 114 O PRO A 11 0.894 -1.858 14.762 1.00 0.00 O ATOM 115 CB PRO A 11 -1.534 -0.096 14.003 1.00 0.00 C ATOM 116 CG PRO A 11 -2.240 -0.218 12.697 1.00 0.00 C ATOM 117 CD PRO A 11 -1.453 0.613 11.722 1.00 0.00 C ATOM 0 HA PRO A 11 0.515 0.666 14.319 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.709 -0.970 14.631 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.883 0.773 14.562 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.287 -1.258 12.374 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.267 0.139 12.774 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.482 0.190 10.718 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.844 1.628 11.652 1.00 0.00 H new ATOM 125 N ILE A 12 0.919 -1.879 12.512 1.00 0.00 N ATOM 126 CA ILE A 12 1.575 -3.177 12.423 1.00 0.00 C ATOM 127 C ILE A 12 3.079 -3.020 12.222 1.00 0.00 C ATOM 128 O ILE A 12 3.874 -3.391 13.086 1.00 0.00 O ATOM 129 CB ILE A 12 1.001 -4.021 11.269 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.506 -4.214 11.452 1.00 0.00 C ATOM 131 CG2 ILE A 12 1.707 -5.366 11.194 1.00 0.00 C ATOM 132 CD1 ILE A 12 -1.174 -4.899 10.280 1.00 0.00 C ATOM 0 H ILE A 12 0.708 -1.450 11.611 1.00 0.00 H new ATOM 0 HA ILE A 12 1.387 -3.690 13.366 1.00 0.00 H new ATOM 0 HB ILE A 12 1.170 -3.492 10.331 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.682 -4.800 12.354 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.972 -3.241 11.608 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.290 -5.950 10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.772 -5.209 11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.566 -5.904 12.131 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.241 -5.003 10.479 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.029 -4.303 9.379 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.734 -5.886 10.137 1.00 0.00 H new ATOM 144 N THR A 13 3.463 -2.466 11.077 1.00 0.00 N ATOM 145 CA THR A 13 4.871 -2.259 10.762 1.00 0.00 C ATOM 146 C THR A 13 5.453 -1.109 11.576 1.00 0.00 C ATOM 147 O THR A 13 6.668 -1.001 11.738 1.00 0.00 O ATOM 148 CB THR A 13 5.075 -1.966 9.264 1.00 0.00 C ATOM 149 OG1 THR A 13 4.129 -0.985 8.823 1.00 0.00 O ATOM 150 CG2 THR A 13 4.919 -3.235 8.439 1.00 0.00 C ATOM 0 H THR A 13 2.818 -2.152 10.352 1.00 0.00 H new ATOM 0 HA THR A 13 5.391 -3.182 11.018 1.00 0.00 H new ATOM 0 HB THR A 13 6.086 -1.583 9.125 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.365 -0.686 7.920 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.067 -3.004 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.659 -3.969 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.918 -3.642 8.584 1.00 0.00 H new ATOM 158 N LYS A 14 4.577 -0.251 12.089 1.00 0.00 N ATOM 159 CA LYS A 14 5.003 0.891 12.889 1.00 0.00 C ATOM 160 C LYS A 14 5.845 1.854 12.058 1.00 0.00 C ATOM 161 O LYS A 14 6.788 2.462 12.563 1.00 0.00 O ATOM 162 CB LYS A 14 5.802 0.418 14.105 1.00 0.00 C ATOM 163 CG LYS A 14 5.167 -0.755 14.831 1.00 0.00 C ATOM 164 CD LYS A 14 3.761 -0.425 15.302 1.00 0.00 C ATOM 165 CE LYS A 14 3.490 -0.988 16.689 1.00 0.00 C ATOM 166 NZ LYS A 14 2.455 -0.201 17.415 1.00 0.00 N ATOM 0 H LYS A 14 3.567 -0.325 11.965 1.00 0.00 H new ATOM 0 HA LYS A 14 4.111 1.417 13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.804 0.136 13.783 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.913 1.249 14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.136 -1.620 14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.783 -1.031 15.687 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.625 0.656 15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.036 -0.829 14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.164 -2.024 16.603 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.415 -0.992 17.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.299 -0.617 18.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.777 0.782 17.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.565 -0.218 16.877 1.00 0.00 H new ATOM 180 N GLU A 15 5.495 1.989 10.782 1.00 0.00 N ATOM 181 CA GLU A 15 6.219 2.880 9.883 1.00 0.00 C ATOM 182 C GLU A 15 5.263 3.570 8.915 1.00 0.00 C ATOM 183 O GLU A 15 4.070 3.270 8.885 1.00 0.00 O ATOM 184 CB GLU A 15 7.278 2.100 9.101 1.00 0.00 C ATOM 185 CG GLU A 15 8.094 1.151 9.962 1.00 0.00 C ATOM 186 CD GLU A 15 9.495 0.933 9.425 1.00 0.00 C ATOM 187 OE1 GLU A 15 10.285 1.900 9.420 1.00 0.00 O ATOM 188 OE2 GLU A 15 9.802 -0.204 9.009 1.00 0.00 O ATOM 0 H GLU A 15 4.716 1.493 10.349 1.00 0.00 H new ATOM 0 HA GLU A 15 6.711 3.643 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.788 1.530 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.951 2.806 8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.155 1.548 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.580 0.192 10.026 1.00 0.00 H new ATOM 195 N GLU A 16 5.796 4.498 8.125 1.00 0.00 N ATOM 196 CA GLU A 16 4.990 5.232 7.157 1.00 0.00 C ATOM 197 C GLU A 16 4.280 4.275 6.203 1.00 0.00 C ATOM 198 O GLU A 16 4.801 3.209 5.876 1.00 0.00 O ATOM 199 CB GLU A 16 5.865 6.205 6.364 1.00 0.00 C ATOM 200 CG GLU A 16 5.110 7.414 5.840 1.00 0.00 C ATOM 201 CD GLU A 16 5.426 7.715 4.388 1.00 0.00 C ATOM 202 OE1 GLU A 16 5.221 6.822 3.540 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.878 8.843 4.100 1.00 0.00 O ATOM 0 H GLU A 16 6.782 4.759 8.137 1.00 0.00 H new ATOM 0 HA GLU A 16 4.236 5.797 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.683 6.545 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.313 5.675 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.039 7.243 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.356 8.284 6.449 1.00 0.00 H new ATOM 210 N MET A 17 3.088 4.665 5.762 1.00 0.00 N ATOM 211 CA MET A 17 2.307 3.842 4.846 1.00 0.00 C ATOM 212 C MET A 17 2.312 4.439 3.442 1.00 0.00 C ATOM 213 O MET A 17 1.963 5.604 3.250 1.00 0.00 O ATOM 214 CB MET A 17 0.869 3.705 5.349 1.00 0.00 C ATOM 215 CG MET A 17 0.773 3.359 6.826 1.00 0.00 C ATOM 216 SD MET A 17 -0.779 2.543 7.249 1.00 0.00 S ATOM 217 CE MET A 17 -1.949 3.865 6.948 1.00 0.00 C ATOM 0 H MET A 17 2.643 5.544 6.024 1.00 0.00 H new ATOM 0 HA MET A 17 2.765 2.854 4.804 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.339 4.640 5.168 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.362 2.933 4.770 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.606 2.711 7.098 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.872 4.270 7.416 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.954 3.526 7.199 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.692 4.726 7.565 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.914 4.149 5.896 1.00 0.00 H new ATOM 227 N LYS A 18 2.711 3.634 2.463 1.00 0.00 N ATOM 228 CA LYS A 18 2.760 4.081 1.076 1.00 0.00 C ATOM 229 C LYS A 18 1.502 3.661 0.323 1.00 0.00 C ATOM 230 O LYS A 18 1.033 4.369 -0.568 1.00 0.00 O ATOM 231 CB LYS A 18 3.998 3.511 0.379 1.00 0.00 C ATOM 232 CG LYS A 18 5.308 3.960 1.004 1.00 0.00 C ATOM 233 CD LYS A 18 5.633 5.400 0.644 1.00 0.00 C ATOM 234 CE LYS A 18 7.134 5.645 0.631 1.00 0.00 C ATOM 235 NZ LYS A 18 7.502 6.782 -0.258 1.00 0.00 N ATOM 0 H LYS A 18 3.005 2.668 2.605 1.00 0.00 H new ATOM 0 HA LYS A 18 2.817 5.170 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.949 2.422 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.984 3.809 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.248 3.860 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.115 3.309 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.216 5.634 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.160 6.071 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.477 5.851 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.647 4.743 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.533 6.917 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.197 6.575 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.033 7.649 0.075 1.00 0.00 H new ATOM 249 N LYS A 19 0.958 2.505 0.689 1.00 0.00 N ATOM 250 CA LYS A 19 -0.249 1.991 0.051 1.00 0.00 C ATOM 251 C LYS A 19 -1.338 1.721 1.084 1.00 0.00 C ATOM 252 O LYS A 19 -1.521 0.596 1.548 1.00 0.00 O ATOM 253 CB LYS A 19 0.066 0.708 -0.722 1.00 0.00 C ATOM 254 CG LYS A 19 0.785 0.950 -2.038 1.00 0.00 C ATOM 255 CD LYS A 19 2.277 0.689 -1.914 1.00 0.00 C ATOM 256 CE LYS A 19 2.921 0.484 -3.276 1.00 0.00 C ATOM 257 NZ LYS A 19 2.684 -0.889 -3.802 1.00 0.00 N ATOM 0 H LYS A 19 1.334 1.906 1.424 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.613 2.747 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.679 0.059 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.864 0.175 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.364 0.303 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.620 1.978 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.754 1.528 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.443 -0.193 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.523 1.216 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.993 0.664 -3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.588 -1.401 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.035 -1.397 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.264 -0.829 -4.751 1.00 0.00 H new ATOM 271 N PRO A 20 -2.080 2.776 1.452 1.00 0.00 N ATOM 272 CA PRO A 20 -3.165 2.677 2.432 1.00 0.00 C ATOM 273 C PRO A 20 -4.362 1.899 1.896 1.00 0.00 C ATOM 274 O PRO A 20 -4.849 2.168 0.798 1.00 0.00 O ATOM 275 CB PRO A 20 -3.548 4.137 2.687 1.00 0.00 C ATOM 276 CG PRO A 20 -3.141 4.857 1.447 1.00 0.00 C ATOM 277 CD PRO A 20 -1.917 4.147 0.939 1.00 0.00 C ATOM 0 HA PRO A 20 -2.855 2.140 3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.617 4.239 2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.034 4.534 3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.939 4.838 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.926 5.905 1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.865 4.165 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.002 4.609 1.310 1.00 0.00 H new ATOM 285 N VAL A 21 -4.832 0.932 2.678 1.00 0.00 N ATOM 286 CA VAL A 21 -5.973 0.116 2.282 1.00 0.00 C ATOM 287 C VAL A 21 -7.016 0.053 3.393 1.00 0.00 C ATOM 288 O VAL A 21 -6.686 -0.172 4.557 1.00 0.00 O ATOM 289 CB VAL A 21 -5.539 -1.317 1.919 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.527 -1.297 0.783 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.969 -2.026 3.138 1.00 0.00 C ATOM 0 H VAL A 21 -4.440 0.695 3.589 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.411 0.589 1.403 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.417 -1.869 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.232 -2.318 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.974 -0.830 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.649 -0.728 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.668 -3.037 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.103 -1.477 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.728 -2.073 3.919 1.00 0.00 H new ATOM 301 N LYS A 22 -8.277 0.253 3.025 1.00 0.00 N ATOM 302 CA LYS A 22 -9.370 0.217 3.988 1.00 0.00 C ATOM 303 C LYS A 22 -10.026 -1.160 4.017 1.00 0.00 C ATOM 304 O LYS A 22 -10.049 -1.867 3.011 1.00 0.00 O ATOM 305 CB LYS A 22 -10.413 1.284 3.647 1.00 0.00 C ATOM 306 CG LYS A 22 -11.588 1.315 4.608 1.00 0.00 C ATOM 307 CD LYS A 22 -12.815 0.644 4.012 1.00 0.00 C ATOM 308 CE LYS A 22 -13.784 1.665 3.436 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.669 1.066 2.400 1.00 0.00 N ATOM 0 H LYS A 22 -8.567 0.442 2.065 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.957 0.423 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.932 2.262 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.785 1.107 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.313 0.814 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.825 2.348 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.508 -0.049 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.318 0.056 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.394 2.080 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.224 2.492 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.378 1.400 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.595 0.029 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.654 1.349 2.579 1.00 0.00 H new ATOM 323 N ASN A 23 -10.559 -1.532 5.176 1.00 0.00 N ATOM 324 CA ASN A 23 -11.216 -2.825 5.335 1.00 0.00 C ATOM 325 C ASN A 23 -12.724 -2.695 5.145 1.00 0.00 C ATOM 326 O ASN A 23 -13.390 -1.949 5.864 1.00 0.00 O ATOM 327 CB ASN A 23 -10.913 -3.408 6.716 1.00 0.00 C ATOM 328 CG ASN A 23 -10.405 -4.836 6.642 1.00 0.00 C ATOM 329 OD1 ASN A 23 -9.449 -5.130 5.925 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.046 -5.730 7.386 1.00 0.00 N ATOM 0 H ASN A 23 -10.549 -0.957 6.019 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.828 -3.499 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.170 -2.786 7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.816 -3.377 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.750 -6.706 7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.834 -5.440 7.966 1.00 0.00 H new ATOM 337 N LYS A 24 -13.258 -3.427 4.174 1.00 0.00 N ATOM 338 CA LYS A 24 -14.688 -3.397 3.889 1.00 0.00 C ATOM 339 C LYS A 24 -15.487 -3.970 5.055 1.00 0.00 C ATOM 340 O LYS A 24 -16.682 -3.706 5.192 1.00 0.00 O ATOM 341 CB LYS A 24 -14.992 -4.185 2.613 1.00 0.00 C ATOM 342 CG LYS A 24 -14.031 -3.892 1.474 1.00 0.00 C ATOM 343 CD LYS A 24 -14.769 -3.669 0.165 1.00 0.00 C ATOM 344 CE LYS A 24 -15.565 -4.899 -0.243 1.00 0.00 C ATOM 345 NZ LYS A 24 -17.021 -4.728 0.017 1.00 0.00 N ATOM 0 H LYS A 24 -12.721 -4.049 3.570 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.982 -2.357 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.961 -5.251 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.007 -3.957 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.439 -3.009 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.334 -4.722 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.441 -2.817 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.054 -3.421 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.406 -5.099 -1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.198 -5.767 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.250 -5.093 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.267 -3.719 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.565 -5.253 -0.697 1.00 0.00 H new ATOM 359 N VAL A 25 -14.819 -4.754 5.896 1.00 0.00 N ATOM 360 CA VAL A 25 -15.466 -5.362 7.052 1.00 0.00 C ATOM 361 C VAL A 25 -15.596 -4.364 8.197 1.00 0.00 C ATOM 362 O VAL A 25 -16.702 -3.972 8.571 1.00 0.00 O ATOM 363 CB VAL A 25 -14.688 -6.595 7.547 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.491 -7.348 8.597 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.335 -7.505 6.380 1.00 0.00 C ATOM 0 H VAL A 25 -13.830 -4.983 5.798 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.460 -5.674 6.730 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.760 -6.257 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.925 -8.216 8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.688 -6.691 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.436 -7.677 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.785 -8.372 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.249 -7.837 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.717 -6.959 5.667 1.00 0.00 H new ATOM 375 N CYS A 26 -14.460 -3.955 8.750 1.00 0.00 N ATOM 376 CA CYS A 26 -14.445 -3.001 9.853 1.00 0.00 C ATOM 377 C CYS A 26 -14.515 -1.568 9.334 1.00 0.00 C ATOM 378 O CYS A 26 -15.425 -0.816 9.678 1.00 0.00 O ATOM 379 CB CYS A 26 -13.184 -3.188 10.699 1.00 0.00 C ATOM 380 SG CYS A 26 -13.016 -1.987 12.059 1.00 0.00 S ATOM 0 H CYS A 26 -13.536 -4.269 8.452 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.322 -3.187 10.473 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.185 -4.195 11.116 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.310 -3.112 10.052 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.795 -1.541 12.096 1.00 0.00 H new ATOM 385 N GLY A 27 -13.545 -1.197 8.503 1.00 0.00 N ATOM 386 CA GLY A 27 -13.515 0.144 7.949 1.00 0.00 C ATOM 387 C GLY A 27 -12.188 0.838 8.184 1.00 0.00 C ATOM 388 O GLY A 27 -11.860 1.812 7.505 1.00 0.00 O ATOM 0 H GLY A 27 -12.780 -1.801 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.712 0.096 6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.315 0.736 8.394 1.00 0.00 H new ATOM 392 N HIS A 28 -11.423 0.339 9.149 1.00 0.00 N ATOM 393 CA HIS A 28 -10.124 0.918 9.472 1.00 0.00 C ATOM 394 C HIS A 28 -9.214 0.928 8.248 1.00 0.00 C ATOM 395 O HIS A 28 -9.604 0.485 7.167 1.00 0.00 O ATOM 396 CB HIS A 28 -9.462 0.138 10.608 1.00 0.00 C ATOM 397 CG HIS A 28 -9.834 0.633 11.972 1.00 0.00 C ATOM 398 ND1 HIS A 28 -10.159 -0.207 13.015 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.930 1.892 12.461 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.441 0.513 14.086 1.00 0.00 C ATOM 401 NE2 HIS A 28 -10.309 1.790 13.777 1.00 0.00 N ATOM 0 H HIS A 28 -11.680 -0.465 9.721 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.283 1.947 9.793 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.738 -0.913 10.525 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.380 0.194 10.493 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.743 2.806 11.917 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.730 0.123 15.051 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.463 2.573 14.412 1.00 0.00 H new ATOM 409 N THR A 29 -7.998 1.437 8.424 1.00 0.00 N ATOM 410 CA THR A 29 -7.033 1.506 7.334 1.00 0.00 C ATOM 411 C THR A 29 -5.700 0.888 7.740 1.00 0.00 C ATOM 412 O THR A 29 -5.265 1.024 8.884 1.00 0.00 O ATOM 413 CB THR A 29 -6.797 2.961 6.885 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.631 3.848 7.638 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.085 3.122 5.400 1.00 0.00 C ATOM 0 H THR A 29 -7.659 1.807 9.312 1.00 0.00 H new ATOM 0 HA THR A 29 -7.453 0.941 6.502 1.00 0.00 H new ATOM 0 HB THR A 29 -5.751 3.208 7.065 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.473 4.771 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.912 4.157 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.427 2.467 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.123 2.857 5.200 1.00 0.00 H new ATOM 423 N TYR A 30 -5.056 0.211 6.796 1.00 0.00 N ATOM 424 CA TYR A 30 -3.772 -0.430 7.057 1.00 0.00 C ATOM 425 C TYR A 30 -2.850 -0.313 5.847 1.00 0.00 C ATOM 426 O TYR A 30 -3.250 0.181 4.794 1.00 0.00 O ATOM 427 CB TYR A 30 -3.977 -1.902 7.416 1.00 0.00 C ATOM 428 CG TYR A 30 -5.302 -2.184 8.087 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.526 -1.816 9.408 1.00 0.00 C ATOM 430 CD2 TYR A 30 -6.330 -2.818 7.400 1.00 0.00 C ATOM 431 CE1 TYR A 30 -6.735 -2.071 10.025 1.00 0.00 C ATOM 432 CE2 TYR A 30 -7.543 -3.076 8.009 1.00 0.00 C ATOM 433 CZ TYR A 30 -7.740 -2.701 9.322 1.00 0.00 C ATOM 434 OH TYR A 30 -8.946 -2.958 9.933 1.00 0.00 O ATOM 0 H TYR A 30 -5.401 0.092 5.844 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.304 0.080 7.899 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.904 -2.502 6.509 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.170 -2.222 8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.741 -1.322 9.962 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.178 -3.114 6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.892 -1.779 11.053 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.332 -3.568 7.460 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.790 -3.245 10.857 1.00 0.00 H new ATOM 444 N GLU A 31 -1.613 -0.772 6.008 1.00 0.00 N ATOM 445 CA GLU A 31 -0.633 -0.718 4.929 1.00 0.00 C ATOM 446 C GLU A 31 -0.664 -2.000 4.102 1.00 0.00 C ATOM 447 O GLU A 31 -0.890 -3.087 4.633 1.00 0.00 O ATOM 448 CB GLU A 31 0.771 -0.499 5.496 1.00 0.00 C ATOM 449 CG GLU A 31 1.877 -0.673 4.469 1.00 0.00 C ATOM 450 CD GLU A 31 3.059 0.243 4.723 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.379 0.484 5.906 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.663 0.719 3.739 1.00 0.00 O ATOM 0 H GLU A 31 -1.266 -1.185 6.874 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.890 0.119 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.831 0.505 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.935 -1.198 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.216 -1.709 4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.478 -0.477 3.474 1.00 0.00 H new ATOM 459 N GLU A 32 -0.436 -1.863 2.800 1.00 0.00 N ATOM 460 CA GLU A 32 -0.439 -3.010 1.899 1.00 0.00 C ATOM 461 C GLU A 32 0.517 -4.092 2.393 1.00 0.00 C ATOM 462 O GLU A 32 0.090 -5.170 2.808 1.00 0.00 O ATOM 463 CB GLU A 32 -0.050 -2.577 0.484 1.00 0.00 C ATOM 464 CG GLU A 32 -0.476 -3.561 -0.592 1.00 0.00 C ATOM 465 CD GLU A 32 -0.089 -3.105 -1.986 1.00 0.00 C ATOM 466 OE1 GLU A 32 0.902 -2.354 -2.109 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.775 -3.498 -2.952 1.00 0.00 O ATOM 0 H GLU A 32 -0.247 -0.970 2.345 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.448 -3.422 1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.498 -1.606 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.031 -2.446 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.022 -4.531 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.556 -3.699 -0.546 1.00 0.00 H new ATOM 474 N ASP A 33 1.811 -3.797 2.343 1.00 0.00 N ATOM 475 CA ASP A 33 2.828 -4.743 2.785 1.00 0.00 C ATOM 476 C ASP A 33 2.500 -5.286 4.173 1.00 0.00 C ATOM 477 O ASP A 33 2.831 -6.425 4.499 1.00 0.00 O ATOM 478 CB ASP A 33 4.205 -4.076 2.798 1.00 0.00 C ATOM 479 CG ASP A 33 4.872 -4.101 1.437 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.325 -4.747 0.519 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.941 -3.473 1.289 1.00 0.00 O ATOM 0 H ASP A 33 2.180 -2.910 2.001 1.00 0.00 H new ATOM 0 HA ASP A 33 2.843 -5.576 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.102 -3.043 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.844 -4.582 3.522 1.00 0.00 H new ATOM 486 N ALA A 34 1.848 -4.461 4.986 1.00 0.00 N ATOM 487 CA ALA A 34 1.474 -4.859 6.337 1.00 0.00 C ATOM 488 C ALA A 34 0.398 -5.939 6.314 1.00 0.00 C ATOM 489 O ALA A 34 0.615 -7.055 6.788 1.00 0.00 O ATOM 490 CB ALA A 34 0.994 -3.651 7.129 1.00 0.00 C ATOM 0 H ALA A 34 1.568 -3.513 4.732 1.00 0.00 H new ATOM 0 HA ALA A 34 2.357 -5.273 6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.718 -3.963 8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.793 -2.911 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.127 -3.213 6.634 1.00 0.00 H new ATOM 496 N ILE A 35 -0.762 -5.601 5.761 1.00 0.00 N ATOM 497 CA ILE A 35 -1.871 -6.544 5.676 1.00 0.00 C ATOM 498 C ILE A 35 -1.505 -7.747 4.814 1.00 0.00 C ATOM 499 O ILE A 35 -2.127 -8.805 4.909 1.00 0.00 O ATOM 500 CB ILE A 35 -3.133 -5.877 5.098 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.349 -6.785 5.290 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.934 -5.553 3.625 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.687 -7.046 6.741 1.00 0.00 C ATOM 0 H ILE A 35 -0.958 -4.682 5.365 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.080 -6.879 6.692 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.311 -4.945 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.211 -6.332 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.164 -7.737 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.835 -5.082 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.090 -4.872 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.735 -6.472 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.559 -7.697 6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.841 -7.528 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.905 -6.101 7.239 1.00 0.00 H new ATOM 515 N VAL A 36 -0.490 -7.578 3.972 1.00 0.00 N ATOM 516 CA VAL A 36 -0.038 -8.651 3.094 1.00 0.00 C ATOM 517 C VAL A 36 0.951 -9.566 3.808 1.00 0.00 C ATOM 518 O VAL A 36 0.931 -10.783 3.624 1.00 0.00 O ATOM 519 CB VAL A 36 0.624 -8.093 1.820 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.268 -9.213 1.018 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.394 -7.339 0.978 1.00 0.00 C ATOM 0 H VAL A 36 0.035 -6.708 3.879 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.922 -9.224 2.814 1.00 0.00 H new ATOM 0 HB VAL A 36 1.407 -7.394 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.730 -8.799 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.028 -9.704 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.507 -9.939 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.091 -6.951 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.201 -8.014 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.803 -6.511 1.557 1.00 0.00 H new ATOM 531 N ARG A 37 1.815 -8.972 4.625 1.00 0.00 N ATOM 532 CA ARG A 37 2.812 -9.733 5.367 1.00 0.00 C ATOM 533 C ARG A 37 2.205 -10.341 6.628 1.00 0.00 C ATOM 534 O ARG A 37 2.703 -11.338 7.150 1.00 0.00 O ATOM 535 CB ARG A 37 3.996 -8.838 5.738 1.00 0.00 C ATOM 536 CG ARG A 37 3.711 -7.905 6.904 1.00 0.00 C ATOM 537 CD ARG A 37 4.926 -7.056 7.247 1.00 0.00 C ATOM 538 NE ARG A 37 5.902 -7.794 8.043 1.00 0.00 N ATOM 539 CZ ARG A 37 7.152 -7.387 8.235 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.575 -6.255 7.690 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.982 -8.114 8.973 1.00 0.00 N ATOM 0 H ARG A 37 1.844 -7.966 4.790 1.00 0.00 H new ATOM 0 HA ARG A 37 3.164 -10.543 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.852 -9.466 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.278 -8.244 4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.871 -7.257 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.416 -8.489 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.397 -6.708 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.606 -6.170 7.796 1.00 0.00 H new ATOM 0 HE ARG A 37 5.608 -8.670 8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.940 -5.694 7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.535 -5.945 7.839 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.660 -8.986 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.942 -7.801 9.120 1.00 0.00 H new ATOM 555 N MET A 38 1.127 -9.733 7.112 1.00 0.00 N ATOM 556 CA MET A 38 0.452 -10.214 8.311 1.00 0.00 C ATOM 557 C MET A 38 -0.365 -11.467 8.009 1.00 0.00 C ATOM 558 O MET A 38 -0.149 -12.519 8.611 1.00 0.00 O ATOM 559 CB MET A 38 -0.457 -9.124 8.883 1.00 0.00 C ATOM 560 CG MET A 38 -1.349 -9.609 10.015 1.00 0.00 C ATOM 561 SD MET A 38 -1.354 -8.486 11.425 1.00 0.00 S ATOM 562 CE MET A 38 -3.099 -8.099 11.543 1.00 0.00 C ATOM 0 H MET A 38 0.702 -8.906 6.692 1.00 0.00 H new ATOM 0 HA MET A 38 1.213 -10.467 9.049 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.159 -8.301 9.244 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.082 -8.727 8.083 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.368 -9.726 9.645 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.013 -10.593 10.341 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.318 -7.704 12.535 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.358 -7.354 10.791 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.684 -9.003 11.375 1.00 0.00 H new ATOM 572 N ILE A 39 -1.302 -11.346 7.076 1.00 0.00 N ATOM 573 CA ILE A 39 -2.150 -12.468 6.695 1.00 0.00 C ATOM 574 C ILE A 39 -1.313 -13.690 6.330 1.00 0.00 C ATOM 575 O ILE A 39 -1.716 -14.826 6.577 1.00 0.00 O ATOM 576 CB ILE A 39 -3.059 -12.109 5.505 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.945 -10.911 5.855 1.00 0.00 C ATOM 578 CG2 ILE A 39 -3.911 -13.306 5.108 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.623 -10.290 4.654 1.00 0.00 C ATOM 0 H ILE A 39 -1.493 -10.482 6.569 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.772 -12.701 7.559 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.431 -11.838 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.706 -11.228 6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.339 -10.154 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.548 -13.036 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.263 -14.135 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.533 -13.606 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.234 -9.447 4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.868 -9.942 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.256 -11.033 4.169 1.00 0.00 H new ATOM 591 N GLU A 40 -0.146 -13.447 5.742 1.00 0.00 N ATOM 592 CA GLU A 40 0.748 -14.528 5.344 1.00 0.00 C ATOM 593 C GLU A 40 1.552 -15.036 6.537 1.00 0.00 C ATOM 594 O GLU A 40 1.969 -16.194 6.571 1.00 0.00 O ATOM 595 CB GLU A 40 1.696 -14.055 4.240 1.00 0.00 C ATOM 596 CG GLU A 40 1.041 -13.964 2.872 1.00 0.00 C ATOM 597 CD GLU A 40 1.776 -14.771 1.819 1.00 0.00 C ATOM 598 OE1 GLU A 40 1.745 -16.017 1.896 1.00 0.00 O ATOM 599 OE2 GLU A 40 2.382 -14.155 0.917 1.00 0.00 O ATOM 0 H GLU A 40 0.202 -12.512 5.531 1.00 0.00 H new ATOM 0 HA GLU A 40 0.139 -15.348 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.093 -13.076 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.543 -14.738 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.012 -14.316 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.000 -12.920 2.561 1.00 0.00 H new ATOM 606 N SER A 41 1.765 -14.161 7.515 1.00 0.00 N ATOM 607 CA SER A 41 2.523 -14.519 8.709 1.00 0.00 C ATOM 608 C SER A 41 1.640 -15.257 9.711 1.00 0.00 C ATOM 609 O SER A 41 2.132 -16.016 10.547 1.00 0.00 O ATOM 610 CB SER A 41 3.113 -13.266 9.358 1.00 0.00 C ATOM 611 OG SER A 41 3.352 -13.472 10.740 1.00 0.00 O ATOM 0 H SER A 41 1.424 -13.200 7.504 1.00 0.00 H new ATOM 0 HA SER A 41 3.335 -15.181 8.410 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.045 -12.999 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.430 -12.427 9.225 1.00 0.00 H new ATOM 0 HG SER A 41 3.730 -12.657 11.132 1.00 0.00 H new ATOM 617 N ARG A 42 0.334 -15.029 9.620 1.00 0.00 N ATOM 618 CA ARG A 42 -0.618 -15.671 10.519 1.00 0.00 C ATOM 619 C ARG A 42 -1.050 -17.029 9.973 1.00 0.00 C ATOM 620 O ARG A 42 -1.009 -18.034 10.681 1.00 0.00 O ATOM 621 CB ARG A 42 -1.842 -14.777 10.722 1.00 0.00 C ATOM 622 CG ARG A 42 -1.503 -13.388 11.238 1.00 0.00 C ATOM 623 CD ARG A 42 -1.518 -13.340 12.758 1.00 0.00 C ATOM 624 NE ARG A 42 -0.340 -12.666 13.296 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.159 -12.421 14.589 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.075 -12.793 15.472 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.940 -11.803 15.001 1.00 0.00 N ATOM 0 H ARG A 42 -0.089 -14.405 8.933 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.126 -15.825 11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.374 -14.684 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.522 -15.260 11.424 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.519 -13.093 10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.219 -12.667 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.417 -12.824 13.095 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.566 -14.355 13.152 1.00 0.00 H new ATOM 0 HE ARG A 42 0.384 -12.367 12.643 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.921 -13.269 15.159 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.933 -12.604 16.464 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.647 -11.515 14.325 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.078 -11.615 15.994 1.00 0.00 H new ATOM 641 N GLN A 43 -1.466 -17.048 8.710 1.00 0.00 N ATOM 642 CA GLN A 43 -1.907 -18.281 8.071 1.00 0.00 C ATOM 643 C GLN A 43 -0.847 -19.370 8.197 1.00 0.00 C ATOM 644 O GLN A 43 -1.163 -20.535 8.441 1.00 0.00 O ATOM 645 CB GLN A 43 -2.224 -18.030 6.595 1.00 0.00 C ATOM 646 CG GLN A 43 -3.713 -17.929 6.302 1.00 0.00 C ATOM 647 CD GLN A 43 -4.271 -19.191 5.676 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.402 -20.221 6.338 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.605 -19.119 4.393 1.00 0.00 N ATOM 0 H GLN A 43 -1.506 -16.224 8.110 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.811 -18.619 8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.736 -17.108 6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.798 -18.837 5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.248 -17.720 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.892 -17.087 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.480 -18.245 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.987 -19.937 3.919 1.00 0.00 H new ATOM 658 N LYS A 44 0.413 -18.984 8.029 1.00 0.00 N ATOM 659 CA LYS A 44 1.522 -19.926 8.125 1.00 0.00 C ATOM 660 C LYS A 44 1.626 -20.503 9.533 1.00 0.00 C ATOM 661 O LYS A 44 2.146 -21.602 9.727 1.00 0.00 O ATOM 662 CB LYS A 44 2.836 -19.239 7.746 1.00 0.00 C ATOM 663 CG LYS A 44 3.232 -18.118 8.692 1.00 0.00 C ATOM 664 CD LYS A 44 4.554 -18.411 9.382 1.00 0.00 C ATOM 665 CE LYS A 44 5.736 -18.002 8.517 1.00 0.00 C ATOM 666 NZ LYS A 44 6.648 -19.148 8.246 1.00 0.00 N ATOM 0 H LYS A 44 0.692 -18.024 7.825 1.00 0.00 H new ATOM 0 HA LYS A 44 1.332 -20.744 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.632 -19.983 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.748 -18.837 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.310 -17.183 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.452 -17.980 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.596 -17.879 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.619 -19.475 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.372 -17.596 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.291 -17.206 9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.441 -18.828 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.016 -19.519 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.125 -19.898 7.750 1.00 0.00 H new ATOM 680 N ARG A 45 1.125 -19.756 10.512 1.00 0.00 N ATOM 681 CA ARG A 45 1.161 -20.195 11.902 1.00 0.00 C ATOM 682 C ARG A 45 -0.232 -20.586 12.385 1.00 0.00 C ATOM 683 O ARG A 45 -0.512 -20.573 13.584 1.00 0.00 O ATOM 684 CB ARG A 45 1.730 -19.089 12.793 1.00 0.00 C ATOM 685 CG ARG A 45 3.244 -18.973 12.727 1.00 0.00 C ATOM 686 CD ARG A 45 3.923 -20.069 13.533 1.00 0.00 C ATOM 687 NE ARG A 45 5.139 -19.595 14.188 1.00 0.00 N ATOM 688 CZ ARG A 45 5.141 -18.900 15.320 1.00 0.00 C ATOM 689 NH1 ARG A 45 3.997 -18.600 15.920 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.289 -18.503 15.855 1.00 0.00 N ATOM 0 H ARG A 45 0.690 -18.845 10.368 1.00 0.00 H new ATOM 0 HA ARG A 45 1.807 -21.071 11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.288 -18.136 12.502 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.433 -19.276 13.825 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.569 -19.029 11.688 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.552 -17.998 13.105 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.231 -20.448 14.285 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.167 -20.904 12.876 1.00 0.00 H new ATOM 0 HE ARG A 45 6.036 -19.809 13.752 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.113 -18.903 15.512 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.002 -18.066 16.789 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.171 -18.732 15.397 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.289 -17.969 16.724 1.00 0.00 H new ATOM 704 N LYS A 46 -1.103 -20.932 11.444 1.00 0.00 N ATOM 705 CA LYS A 46 -2.468 -21.328 11.772 1.00 0.00 C ATOM 706 C LYS A 46 -3.137 -20.287 12.664 1.00 0.00 C ATOM 707 O LYS A 46 -3.752 -20.624 13.676 1.00 0.00 O ATOM 708 CB LYS A 46 -2.472 -22.690 12.469 1.00 0.00 C ATOM 709 CG LYS A 46 -2.300 -23.861 11.517 1.00 0.00 C ATOM 710 CD LYS A 46 -1.851 -25.114 12.249 1.00 0.00 C ATOM 711 CE LYS A 46 -0.535 -25.641 11.699 1.00 0.00 C ATOM 712 NZ LYS A 46 0.571 -24.658 11.872 1.00 0.00 N ATOM 0 H LYS A 46 -0.888 -20.946 10.447 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.032 -21.401 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.671 -22.713 13.208 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.410 -22.808 13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.242 -24.056 11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.568 -23.604 10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.741 -24.896 13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.618 -25.883 12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.277 -26.571 12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.651 -25.875 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.484 -25.155 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.535 -23.956 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.467 -24.176 12.788 1.00 0.00 H new ATOM 726 N LYS A 47 -3.014 -19.020 12.282 1.00 0.00 N ATOM 727 CA LYS A 47 -3.608 -17.929 13.044 1.00 0.00 C ATOM 728 C LYS A 47 -4.655 -17.193 12.215 1.00 0.00 C ATOM 729 O LYS A 47 -4.929 -17.561 11.073 1.00 0.00 O ATOM 730 CB LYS A 47 -2.525 -16.950 13.503 1.00 0.00 C ATOM 731 CG LYS A 47 -2.222 -17.030 14.989 1.00 0.00 C ATOM 732 CD LYS A 47 -1.168 -16.015 15.398 1.00 0.00 C ATOM 733 CE LYS A 47 -0.061 -16.661 16.219 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.594 -17.335 17.435 1.00 0.00 N ATOM 0 H LYS A 47 -2.507 -18.724 11.448 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.097 -18.356 13.919 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.610 -17.145 12.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.838 -15.935 13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.136 -16.856 15.558 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.878 -18.034 15.238 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.740 -15.554 14.508 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.634 -15.218 15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.470 -17.388 15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.664 -15.902 16.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.165 -17.431 18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.368 -16.767 17.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.952 -18.278 17.181 1.00 0.00 H new ATOM 748 N LYS A 48 -5.238 -16.150 12.797 1.00 0.00 N ATOM 749 CA LYS A 48 -6.253 -15.359 12.111 1.00 0.00 C ATOM 750 C LYS A 48 -5.876 -13.881 12.099 1.00 0.00 C ATOM 751 O LYS A 48 -5.211 -13.393 13.013 1.00 0.00 O ATOM 752 CB LYS A 48 -7.614 -15.543 12.787 1.00 0.00 C ATOM 753 CG LYS A 48 -7.742 -14.806 14.108 1.00 0.00 C ATOM 754 CD LYS A 48 -8.454 -15.650 15.152 1.00 0.00 C ATOM 755 CE LYS A 48 -7.535 -16.719 15.724 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.300 -17.802 16.403 1.00 0.00 N ATOM 0 H LYS A 48 -5.025 -15.833 13.743 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.315 -15.708 11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.396 -15.197 12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.786 -16.606 12.956 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.751 -14.536 14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.290 -13.876 13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.813 -15.009 15.957 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.329 -16.122 14.705 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.933 -17.147 14.923 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.844 -16.263 16.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.639 -18.511 16.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.855 -17.398 17.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.941 -18.255 15.720 1.00 0.00 H new ATOM 770 N ALA A 49 -6.305 -13.174 11.059 1.00 0.00 N ATOM 771 CA ALA A 49 -6.015 -11.752 10.931 1.00 0.00 C ATOM 772 C ALA A 49 -7.050 -10.911 11.672 1.00 0.00 C ATOM 773 O ALA A 49 -8.213 -10.847 11.272 1.00 0.00 O ATOM 774 CB ALA A 49 -5.962 -11.354 9.463 1.00 0.00 C ATOM 0 H ALA A 49 -6.855 -13.563 10.293 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.041 -11.563 11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.745 -10.289 9.382 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.180 -11.923 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.923 -11.565 8.994 1.00 0.00 H new ATOM 780 N TYR A 50 -6.620 -10.269 12.752 1.00 0.00 N ATOM 781 CA TYR A 50 -7.510 -9.435 13.550 1.00 0.00 C ATOM 782 C TYR A 50 -7.154 -7.959 13.401 1.00 0.00 C ATOM 783 O TYR A 50 -6.014 -7.611 13.091 1.00 0.00 O ATOM 784 CB TYR A 50 -7.440 -9.841 15.023 1.00 0.00 C ATOM 785 CG TYR A 50 -6.029 -10.051 15.526 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.412 -11.291 15.425 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.314 -9.008 16.103 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.124 -11.488 15.884 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.025 -9.195 16.563 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.435 -10.436 16.452 1.00 0.00 C ATOM 791 OH TYR A 50 -2.151 -10.627 16.910 1.00 0.00 O ATOM 0 H TYR A 50 -5.660 -10.310 13.095 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.527 -9.583 13.187 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.921 -9.072 15.627 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.008 -10.760 15.165 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.949 -12.116 14.980 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.774 -8.035 16.193 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.659 -12.459 15.799 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.482 -8.374 17.007 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.807 -9.787 17.280 1.00 0.00 H new ATOM 801 N CYS A 51 -8.138 -7.094 13.623 1.00 0.00 N ATOM 802 CA CYS A 51 -7.931 -5.655 13.514 1.00 0.00 C ATOM 803 C CYS A 51 -6.718 -5.217 14.330 1.00 0.00 C ATOM 804 O CYS A 51 -6.766 -5.118 15.556 1.00 0.00 O ATOM 805 CB CYS A 51 -9.176 -4.903 13.986 1.00 0.00 C ATOM 806 SG CYS A 51 -9.968 -3.890 12.695 1.00 0.00 S ATOM 0 H CYS A 51 -9.087 -7.365 13.880 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.747 -5.417 12.466 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.901 -5.624 14.363 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.903 -4.259 14.822 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.893 -2.634 13.022 1.00 0.00 H new ATOM 811 N PRO A 52 -5.604 -4.947 13.634 1.00 0.00 N ATOM 812 CA PRO A 52 -4.357 -4.514 14.273 1.00 0.00 C ATOM 813 C PRO A 52 -4.459 -3.104 14.845 1.00 0.00 C ATOM 814 O PRO A 52 -3.561 -2.645 15.550 1.00 0.00 O ATOM 815 CB PRO A 52 -3.340 -4.555 13.130 1.00 0.00 C ATOM 816 CG PRO A 52 -4.153 -4.382 11.893 1.00 0.00 C ATOM 817 CD PRO A 52 -5.474 -5.043 12.170 1.00 0.00 C ATOM 0 HA PRO A 52 -4.092 -5.146 15.120 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.599 -3.762 13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.796 -5.500 13.118 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.287 -3.326 11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.660 -4.839 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.292 -4.535 11.660 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.483 -6.080 11.833 1.00 0.00 H new ATOM 825 N GLN A 53 -5.558 -2.423 14.537 1.00 0.00 N ATOM 826 CA GLN A 53 -5.775 -1.065 15.021 1.00 0.00 C ATOM 827 C GLN A 53 -6.024 -1.057 16.526 1.00 0.00 C ATOM 828 O GLN A 53 -7.096 -1.448 16.989 1.00 0.00 O ATOM 829 CB GLN A 53 -6.958 -0.424 14.293 1.00 0.00 C ATOM 830 CG GLN A 53 -7.185 1.032 14.665 1.00 0.00 C ATOM 831 CD GLN A 53 -5.893 1.820 14.756 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.476 2.228 15.840 1.00 0.00 O ATOM 833 NE2 GLN A 53 -5.250 2.037 13.614 1.00 0.00 N ATOM 0 H GLN A 53 -6.311 -2.789 13.955 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.875 -0.485 14.817 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.793 -0.494 13.218 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.861 -0.992 14.515 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.837 1.495 13.924 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.704 1.082 15.622 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.632 1.680 12.738 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.374 2.560 13.613 1.00 0.00 H new ATOM 842 N ILE A 54 -5.028 -0.610 17.283 1.00 0.00 N ATOM 843 CA ILE A 54 -5.140 -0.551 18.735 1.00 0.00 C ATOM 844 C ILE A 54 -6.411 0.177 19.159 1.00 0.00 C ATOM 845 O ILE A 54 -6.616 1.341 18.819 1.00 0.00 O ATOM 846 CB ILE A 54 -3.924 0.154 19.365 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.628 -0.541 18.942 1.00 0.00 C ATOM 848 CG2 ILE A 54 -4.050 0.174 20.881 1.00 0.00 C ATOM 849 CD1 ILE A 54 -2.582 -2.008 19.307 1.00 0.00 C ATOM 0 H ILE A 54 -4.134 -0.283 16.915 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.178 -1.581 19.091 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.895 1.184 19.009 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.506 -0.439 17.864 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.784 -0.032 19.408 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.183 0.675 21.312 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.956 0.709 21.164 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.101 -0.848 21.255 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.635 -2.436 18.977 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.672 -2.117 20.388 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.405 -2.530 18.820 1.00 0.00 H new ATOM 861 N GLY A 55 -7.262 -0.519 19.908 1.00 0.00 N ATOM 862 CA GLY A 55 -8.503 0.078 20.368 1.00 0.00 C ATOM 863 C GLY A 55 -9.725 -0.605 19.787 1.00 0.00 C ATOM 864 O GLY A 55 -10.819 -0.518 20.345 1.00 0.00 O ATOM 0 H GLY A 55 -7.114 -1.484 20.204 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.545 0.028 21.456 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.517 1.134 20.097 1.00 0.00 H new ATOM 868 N CYS A 56 -9.541 -1.286 18.660 1.00 0.00 N ATOM 869 CA CYS A 56 -10.637 -1.984 18.000 1.00 0.00 C ATOM 870 C CYS A 56 -10.883 -3.345 18.647 1.00 0.00 C ATOM 871 O CYS A 56 -9.992 -3.913 19.278 1.00 0.00 O ATOM 872 CB CYS A 56 -10.333 -2.163 16.512 1.00 0.00 C ATOM 873 SG CYS A 56 -11.811 -2.417 15.477 1.00 0.00 S ATOM 0 H CYS A 56 -8.642 -1.369 18.185 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.538 -1.380 18.110 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.798 -1.284 16.153 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.665 -3.015 16.388 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.465 -2.978 14.356 1.00 0.00 H new ATOM 878 N SER A 57 -12.097 -3.860 18.484 1.00 0.00 N ATOM 879 CA SER A 57 -12.462 -5.152 19.055 1.00 0.00 C ATOM 880 C SER A 57 -12.561 -6.217 17.968 1.00 0.00 C ATOM 881 O SER A 57 -12.387 -7.408 18.231 1.00 0.00 O ATOM 882 CB SER A 57 -13.791 -5.045 19.804 1.00 0.00 C ATOM 883 OG SER A 57 -13.975 -6.146 20.677 1.00 0.00 O ATOM 0 H SER A 57 -12.845 -3.403 17.962 1.00 0.00 H new ATOM 0 HA SER A 57 -11.681 -5.446 19.757 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.817 -4.116 20.374 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.613 -5.003 19.089 1.00 0.00 H new ATOM 0 HG SER A 57 -14.831 -6.053 21.145 1.00 0.00 H new ATOM 889 N HIS A 58 -12.843 -5.781 16.744 1.00 0.00 N ATOM 890 CA HIS A 58 -12.966 -6.696 15.615 1.00 0.00 C ATOM 891 C HIS A 58 -11.722 -7.570 15.487 1.00 0.00 C ATOM 892 O HIS A 58 -10.625 -7.169 15.877 1.00 0.00 O ATOM 893 CB HIS A 58 -13.191 -5.915 14.320 1.00 0.00 C ATOM 894 CG HIS A 58 -13.763 -6.745 13.212 1.00 0.00 C ATOM 895 ND1 HIS A 58 -14.991 -7.367 13.295 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.269 -7.051 11.990 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.226 -8.022 12.172 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.197 -7.846 11.363 1.00 0.00 N ATOM 0 H HIS A 58 -12.991 -4.799 16.509 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.826 -7.342 15.794 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.862 -5.080 14.521 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.242 -5.490 13.992 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.619 -7.328 14.098 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.321 -6.730 11.583 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.110 -8.603 11.953 1.00 0.00 H new ATOM 906 N THR A 59 -11.900 -8.768 14.937 1.00 0.00 N ATOM 907 CA THR A 59 -10.793 -9.699 14.759 1.00 0.00 C ATOM 908 C THR A 59 -11.031 -10.614 13.563 1.00 0.00 C ATOM 909 O THR A 59 -10.675 -11.792 13.590 1.00 0.00 O ATOM 910 CB THR A 59 -10.577 -10.562 16.017 1.00 0.00 C ATOM 911 OG1 THR A 59 -11.788 -11.248 16.354 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.129 -9.706 17.191 1.00 0.00 C ATOM 0 H THR A 59 -12.801 -9.116 14.607 1.00 0.00 H new ATOM 0 HA THR A 59 -9.901 -9.099 14.582 1.00 0.00 H new ATOM 0 HB THR A 59 -9.795 -11.290 15.801 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.642 -11.796 17.153 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.983 -10.338 18.067 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.191 -9.209 16.942 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.891 -8.957 17.407 1.00 0.00 H new ATOM 920 N ASP A 60 -11.634 -10.064 12.515 1.00 0.00 N ATOM 921 CA ASP A 60 -11.918 -10.831 11.308 1.00 0.00 C ATOM 922 C ASP A 60 -11.622 -10.007 10.058 1.00 0.00 C ATOM 923 O ASP A 60 -12.428 -9.172 9.648 1.00 0.00 O ATOM 924 CB ASP A 60 -13.378 -11.286 11.299 1.00 0.00 C ATOM 925 CG ASP A 60 -13.666 -12.288 10.198 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.266 -13.463 10.345 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.291 -11.899 9.190 1.00 0.00 O ATOM 0 H ASP A 60 -11.935 -9.090 12.477 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.272 -11.709 11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.623 -11.730 12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.025 -10.418 11.174 1.00 0.00 H new ATOM 932 N ILE A 61 -10.460 -10.247 9.460 1.00 0.00 N ATOM 933 CA ILE A 61 -10.058 -9.527 8.258 1.00 0.00 C ATOM 934 C ILE A 61 -9.679 -10.493 7.140 1.00 0.00 C ATOM 935 O ILE A 61 -8.935 -11.449 7.357 1.00 0.00 O ATOM 936 CB ILE A 61 -8.869 -8.589 8.535 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.216 -7.608 9.657 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.479 -7.839 7.270 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.034 -6.795 10.136 1.00 0.00 C ATOM 0 H ILE A 61 -9.781 -10.934 9.788 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.915 -8.931 7.945 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.018 -9.190 8.854 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.995 -6.930 9.308 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.630 -8.163 10.499 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.637 -7.180 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.195 -8.553 6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.325 -7.246 6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.354 -6.122 10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.262 -7.464 10.516 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.633 -6.212 9.307 1.00 0.00 H new ATOM 951 N ARG A 62 -10.195 -10.234 5.942 1.00 0.00 N ATOM 952 CA ARG A 62 -9.910 -11.080 4.790 1.00 0.00 C ATOM 953 C ARG A 62 -9.320 -10.260 3.646 1.00 0.00 C ATOM 954 O ARG A 62 -9.710 -9.114 3.424 1.00 0.00 O ATOM 955 CB ARG A 62 -11.184 -11.785 4.321 1.00 0.00 C ATOM 956 CG ARG A 62 -11.635 -12.906 5.244 1.00 0.00 C ATOM 957 CD ARG A 62 -12.599 -13.850 4.543 1.00 0.00 C ATOM 958 NE ARG A 62 -12.452 -15.227 5.009 1.00 0.00 N ATOM 959 CZ ARG A 62 -12.876 -16.283 4.324 1.00 0.00 C ATOM 960 NH1 ARG A 62 -13.469 -16.122 3.150 1.00 0.00 N ATOM 961 NH2 ARG A 62 -12.706 -17.504 4.814 1.00 0.00 N ATOM 0 H ARG A 62 -10.812 -9.446 5.745 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.178 -11.829 5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.985 -11.051 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.018 -12.192 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.766 -13.464 5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.116 -12.482 6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.622 -13.516 4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.427 -13.811 3.467 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.999 -15.386 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.601 -15.185 2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.793 -16.935 2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.250 -17.632 5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.032 -18.315 4.288 1.00 0.00 H new ATOM 975 N LYS A 63 -8.376 -10.855 2.924 1.00 0.00 N ATOM 976 CA LYS A 63 -7.732 -10.181 1.803 1.00 0.00 C ATOM 977 C LYS A 63 -8.765 -9.709 0.785 1.00 0.00 C ATOM 978 O LYS A 63 -8.527 -8.759 0.040 1.00 0.00 O ATOM 979 CB LYS A 63 -6.726 -11.117 1.129 1.00 0.00 C ATOM 980 CG LYS A 63 -5.530 -10.397 0.532 1.00 0.00 C ATOM 981 CD LYS A 63 -4.891 -11.206 -0.585 1.00 0.00 C ATOM 982 CE LYS A 63 -3.916 -12.237 -0.038 1.00 0.00 C ATOM 983 NZ LYS A 63 -4.521 -13.597 0.020 1.00 0.00 N ATOM 0 H LYS A 63 -8.040 -11.803 3.095 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.205 -9.309 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.373 -11.845 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.233 -11.676 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.844 -9.427 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.793 -10.206 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.667 -11.708 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.369 -10.536 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.025 -12.262 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.595 -11.939 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.825 -14.271 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.357 -13.579 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.804 -13.892 -0.936 1.00 0.00 H new ATOM 997 N SER A 64 -9.913 -10.378 0.760 1.00 0.00 N ATOM 998 CA SER A 64 -10.982 -10.029 -0.169 1.00 0.00 C ATOM 999 C SER A 64 -11.616 -8.694 0.211 1.00 0.00 C ATOM 1000 O SER A 64 -12.187 -8.003 -0.633 1.00 0.00 O ATOM 1001 CB SER A 64 -12.048 -11.125 -0.189 1.00 0.00 C ATOM 1002 OG SER A 64 -11.467 -12.405 -0.007 1.00 0.00 O ATOM 0 H SER A 64 -10.127 -11.165 1.372 1.00 0.00 H new ATOM 0 HA SER A 64 -10.549 -9.936 -1.165 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.780 -10.939 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.585 -11.097 -1.137 1.00 0.00 H new ATOM 0 HG SER A 64 -12.169 -13.088 -0.022 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.511 -8.338 1.486 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.073 -7.086 1.979 1.00 0.00 C ATOM 1010 C ASP A 65 -11.013 -5.989 2.008 1.00 0.00 C ATOM 1011 O ASP A 65 -11.106 -5.041 2.790 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.661 -7.281 3.378 1.00 0.00 C ATOM 1013 CG ASP A 65 -13.956 -8.069 3.356 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -14.952 -7.558 2.800 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -13.974 -9.195 3.894 1.00 0.00 O ATOM 0 H ASP A 65 -11.042 -8.899 2.197 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.868 -6.781 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.935 -7.798 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.839 -6.307 3.833 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.005 -6.124 1.153 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.926 -5.145 1.081 1.00 0.00 C ATOM 1022 C LEU A 66 -9.035 -4.307 -0.189 1.00 0.00 C ATOM 1023 O LEU A 66 -8.985 -4.836 -1.299 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.569 -5.849 1.127 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.238 -6.586 2.424 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.819 -7.132 2.382 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.422 -5.666 3.623 1.00 0.00 C ATOM 0 H LEU A 66 -9.912 -6.902 0.500 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.013 -4.481 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.525 -6.564 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.791 -5.107 0.946 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.925 -7.426 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.602 -7.653 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.721 -7.826 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.116 -6.309 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.182 -6.208 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.760 -4.806 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.456 -5.325 3.664 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.183 -2.998 -0.016 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.295 -2.087 -1.149 1.00 0.00 C ATOM 1041 C ILE A 67 -8.240 -0.988 -1.077 1.00 0.00 C ATOM 1042 O ILE A 67 -7.641 -0.758 -0.028 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.691 -1.439 -1.213 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.064 -0.843 0.146 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.729 -2.460 -1.653 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.345 -0.040 0.122 1.00 0.00 C ATOM 0 H ILE A 67 -9.228 -2.545 0.897 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.137 -2.681 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.668 -0.634 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.164 -1.650 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.250 -0.204 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.710 -1.987 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.469 -2.841 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.753 -3.285 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.547 0.352 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.242 0.788 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.170 -0.680 -0.190 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.020 -0.313 -2.201 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.038 0.763 -2.265 1.00 0.00 C ATOM 1060 C GLN A 68 -7.718 2.126 -2.198 1.00 0.00 C ATOM 1061 O GLN A 68 -8.272 2.604 -3.187 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.214 0.654 -3.549 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.559 -0.705 -3.738 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.587 -0.728 -4.901 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -4.570 0.184 -5.729 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.771 -1.773 -4.971 1.00 0.00 N ATOM 0 H GLN A 68 -8.508 -0.492 -3.079 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.374 0.666 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.859 0.859 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.441 1.423 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.033 -0.981 -2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.331 -1.457 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.819 -2.506 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.096 -1.843 -5.732 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.671 2.747 -1.024 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.283 4.057 -0.828 1.00 0.00 C ATOM 1077 C ASP A 69 -7.515 5.134 -1.587 1.00 0.00 C ATOM 1078 O ASP A 69 -6.418 5.523 -1.191 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.332 4.402 0.661 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.424 5.401 0.988 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.779 6.204 0.100 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.924 5.381 2.133 1.00 0.00 O ATOM 0 H ASP A 69 -7.216 2.365 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.300 4.018 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.493 3.491 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.368 4.808 0.969 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.101 5.611 -2.682 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.470 6.642 -3.498 1.00 0.00 C ATOM 1089 C GLU A 70 -7.474 7.985 -2.774 1.00 0.00 C ATOM 1090 O GLU A 70 -6.463 8.687 -2.741 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.191 6.771 -4.841 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.253 6.772 -6.037 1.00 0.00 C ATOM 1093 CD GLU A 70 -7.972 6.491 -7.342 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.956 7.198 -7.642 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.550 5.563 -8.064 1.00 0.00 O ATOM 0 H GLU A 70 -9.010 5.300 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.436 6.348 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.898 5.948 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.772 7.693 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.754 7.739 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.476 6.022 -5.886 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.618 8.337 -2.197 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.754 9.595 -1.474 1.00 0.00 C ATOM 1104 C ALA A 71 -7.674 9.733 -0.406 1.00 0.00 C ATOM 1105 O ALA A 71 -7.134 10.820 -0.191 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.136 9.696 -0.845 1.00 0.00 C ATOM 0 H ALA A 71 -9.464 7.768 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.631 10.410 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.223 10.641 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.895 9.651 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.281 8.869 -0.150 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.363 8.628 0.261 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.347 8.625 1.308 1.00 0.00 C ATOM 1114 C LEU A 72 -4.948 8.529 0.709 1.00 0.00 C ATOM 1115 O LEU A 72 -4.007 9.154 1.199 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.583 7.461 2.273 1.00 0.00 C ATOM 1117 CG LEU A 72 -6.048 7.648 3.693 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.894 6.868 4.688 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -4.591 7.218 3.775 1.00 0.00 C ATOM 0 H LEU A 72 -7.800 7.721 0.096 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.423 9.564 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.656 7.276 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.127 6.566 1.849 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.108 8.706 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.499 7.013 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.923 7.224 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.867 5.808 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.227 7.358 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.506 6.167 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.995 7.821 3.090 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.819 7.744 -0.355 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.535 7.567 -1.023 1.00 0.00 C ATOM 1133 C ARG A 73 -2.941 8.913 -1.425 1.00 0.00 C ATOM 1134 O ARG A 73 -1.833 9.261 -1.017 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.696 6.679 -2.258 1.00 0.00 C ATOM 1136 CG ARG A 73 -3.095 5.292 -2.094 1.00 0.00 C ATOM 1137 CD ARG A 73 -3.173 4.495 -3.386 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.605 3.157 -3.239 1.00 0.00 N ATOM 1139 CZ ARG A 73 -2.364 2.344 -4.262 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -2.641 2.731 -5.500 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -1.846 1.142 -4.048 1.00 0.00 N ATOM 0 H ARG A 73 -5.588 7.220 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.854 7.083 -0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.757 6.581 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.228 7.170 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.054 5.380 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.621 4.757 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.214 4.415 -3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.643 5.029 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.381 2.829 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.040 3.655 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.455 2.105 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.632 0.841 -3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.661 0.519 -4.834 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.685 9.666 -2.229 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.232 10.973 -2.688 1.00 0.00 C ATOM 1157 C ARG A 74 -2.819 11.850 -1.509 1.00 0.00 C ATOM 1158 O ARG A 74 -1.932 12.695 -1.632 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.334 11.666 -3.491 1.00 0.00 C ATOM 1160 CG ARG A 74 -4.493 11.123 -4.902 1.00 0.00 C ATOM 1161 CD ARG A 74 -5.956 11.044 -5.307 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.117 10.913 -6.753 1.00 0.00 N ATOM 1163 CZ ARG A 74 -7.293 10.750 -7.349 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -8.405 10.699 -6.628 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.359 10.638 -8.670 1.00 0.00 N ATOM 0 H ARG A 74 -4.604 9.393 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.364 10.824 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.280 11.559 -2.961 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.117 12.733 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.955 11.762 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.043 10.132 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.424 10.193 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.476 11.938 -4.964 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.281 10.949 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.359 10.785 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.306 10.574 -7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.506 10.677 -9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.262 10.513 -9.127 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.468 11.643 -0.369 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.167 12.413 0.832 1.00 0.00 C ATOM 1181 C ALA A 75 -1.694 12.294 1.206 1.00 0.00 C ATOM 1182 O ALA A 75 -0.991 13.298 1.324 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.046 11.955 1.987 1.00 0.00 C ATOM 0 H ALA A 75 -4.206 10.949 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.378 13.462 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.810 12.538 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.094 12.099 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.864 10.899 2.187 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.234 11.062 1.393 1.00 0.00 N ATOM 1190 CA ILE A 76 0.157 10.813 1.753 1.00 0.00 C ATOM 1191 C ILE A 76 1.108 11.405 0.719 1.00 0.00 C ATOM 1192 O ILE A 76 2.119 12.013 1.068 1.00 0.00 O ATOM 1193 CB ILE A 76 0.441 9.306 1.892 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.489 8.682 2.935 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.897 9.073 2.266 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.493 7.170 2.914 1.00 0.00 C ATOM 0 H ILE A 76 -1.803 10.221 1.301 1.00 0.00 H new ATOM 0 HA ILE A 76 0.325 11.297 2.715 1.00 0.00 H new ATOM 0 HB ILE A 76 0.252 8.827 0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.190 9.023 3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.504 9.042 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.082 8.003 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.542 9.486 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.112 9.563 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.174 6.797 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.821 6.821 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.513 6.801 3.113 1.00 0.00 H new