USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 480 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 153 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 154 MET CE :methyl -166:sc=-0.00131 (180deg=-0.445) USER MOD Single : A 156 THR OG1 : rot 83:sc= -3.22! USER MOD Single : A 157 LYS NZ :NH3+ 156:sc= -0.387 (180deg=-0.99) USER MOD Single : A 160 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.6!) USER MOD Single : A 166 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.28) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot -43:sc= 0.835 USER MOD Single : A 185 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.2!) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 ASN : amide:sc=-4.48e-05 X(o=-4.5e-05,f=0) USER MOD Single : A 195 GLN : amide:sc= -4.66 K(o=-4.7,f=-3!) USER MOD Single : A 197 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.2!) USER MOD Single : A 198 ASN : amide:sc= 1.05 K(o=1,f=-0.4) USER MOD Single : A 205 SER OG : rot -158:sc= 0.479 USER MOD Single : A 206 ASN : amide:sc= -2.86 K(o=-2.9,f=-12!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -1.4 K(o=-1.4,f=-4!) USER MOD Single : A 213 SER OG : rot 47:sc= 0.379 USER MOD Single : A 214 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -13.511 11.403 2.307 1.00 0.00 N ATOM 2 CA HIS A 153 -14.834 11.394 1.627 1.00 0.00 C ATOM 3 C HIS A 153 -15.106 10.049 0.965 1.00 0.00 C ATOM 4 O HIS A 153 -15.674 9.984 -0.123 1.00 0.00 O ATOM 5 CB HIS A 153 -14.847 12.509 0.578 1.00 0.00 C ATOM 6 CG HIS A 153 -16.170 13.203 0.460 1.00 0.00 C ATOM 7 ND1 HIS A 153 -16.413 14.454 0.983 1.00 0.00 N ATOM 8 CD2 HIS A 153 -17.324 12.811 -0.128 1.00 0.00 C ATOM 9 CE1 HIS A 153 -17.661 14.804 0.723 1.00 0.00 C ATOM 10 NE2 HIS A 153 -18.234 13.824 0.049 1.00 0.00 N ATOM 0 HA HIS A 153 -15.618 11.560 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -14.082 13.243 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -14.578 12.088 -0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -17.497 11.876 -0.641 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -18.131 15.732 1.012 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -19.197 13.820 -0.286 1.00 0.00 H new ATOM 21 N MET A 154 -14.698 8.974 1.633 1.00 0.00 N ATOM 22 CA MET A 154 -14.899 7.626 1.112 1.00 0.00 C ATOM 23 C MET A 154 -14.195 7.442 -0.228 1.00 0.00 C ATOM 24 O MET A 154 -14.529 6.537 -0.993 1.00 0.00 O ATOM 25 CB MET A 154 -16.388 7.339 0.941 1.00 0.00 C ATOM 26 CG MET A 154 -17.156 7.295 2.253 1.00 0.00 C ATOM 27 SD MET A 154 -18.811 7.993 2.114 1.00 0.00 S ATOM 28 CE MET A 154 -18.434 9.740 1.999 1.00 0.00 C ATOM 0 H MET A 154 -14.226 9.010 2.537 1.00 0.00 H new ATOM 0 HA MET A 154 -14.472 6.928 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 154 -16.825 8.104 0.300 1.00 0.00 H new ATOM 0 HB3 MET A 154 -16.509 6.385 0.427 1.00 0.00 H new ATOM 0 HG2 MET A 154 -17.229 6.262 2.592 1.00 0.00 H new ATOM 0 HG3 MET A 154 -16.599 7.841 3.014 1.00 0.00 H new ATOM 0 HE1 MET A 154 -19.343 10.320 2.157 1.00 0.00 H new ATOM 0 HE2 MET A 154 -17.698 10.004 2.759 1.00 0.00 H new ATOM 0 HE3 MET A 154 -18.030 9.961 1.011 1.00 0.00 H new ATOM 38 N GLU A 155 -13.225 8.303 -0.515 1.00 0.00 N ATOM 39 CA GLU A 155 -12.494 8.220 -1.770 1.00 0.00 C ATOM 40 C GLU A 155 -11.212 7.412 -1.601 1.00 0.00 C ATOM 41 O GLU A 155 -10.192 7.934 -1.149 1.00 0.00 O ATOM 42 CB GLU A 155 -12.165 9.622 -2.289 1.00 0.00 C ATOM 43 CG GLU A 155 -13.224 10.188 -3.221 1.00 0.00 C ATOM 44 CD GLU A 155 -13.246 11.704 -3.223 1.00 0.00 C ATOM 45 OE1 GLU A 155 -12.370 12.310 -3.875 1.00 0.00 O ATOM 46 OE2 GLU A 155 -14.142 12.285 -2.576 1.00 0.00 O ATOM 0 H GLU A 155 -12.929 9.061 0.101 1.00 0.00 H new ATOM 0 HA GLU A 155 -13.128 7.712 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -12.042 10.295 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -11.210 9.592 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -13.041 9.829 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -14.203 9.814 -2.922 1.00 0.00 H new ATOM 53 N THR A 156 -11.271 6.136 -1.967 1.00 0.00 N ATOM 54 CA THR A 156 -10.115 5.254 -1.856 1.00 0.00 C ATOM 55 C THR A 156 -9.088 5.567 -2.939 1.00 0.00 C ATOM 56 O THR A 156 -9.426 5.675 -4.118 1.00 0.00 O ATOM 57 CB THR A 156 -10.549 3.793 -1.954 1.00 0.00 C ATOM 58 OG1 THR A 156 -9.444 2.927 -1.760 1.00 0.00 O ATOM 59 CG2 THR A 156 -11.178 3.444 -3.286 1.00 0.00 C ATOM 0 H THR A 156 -12.107 5.689 -2.343 1.00 0.00 H new ATOM 0 HA THR A 156 -9.653 5.422 -0.883 1.00 0.00 H new ATOM 0 HB THR A 156 -11.296 3.660 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 156 -9.287 2.807 -0.800 1.00 0.00 H new ATOM 0 HG21 THR A 156 -11.463 2.392 -3.289 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.063 4.061 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 156 -10.461 3.628 -4.086 1.00 0.00 H new ATOM 67 N LYS A 157 -7.830 5.708 -2.533 1.00 0.00 N ATOM 68 CA LYS A 157 -6.753 6.007 -3.470 1.00 0.00 C ATOM 69 C LYS A 157 -5.869 4.783 -3.691 1.00 0.00 C ATOM 70 O LYS A 157 -5.343 4.205 -2.742 1.00 0.00 O ATOM 71 CB LYS A 157 -5.908 7.173 -2.952 1.00 0.00 C ATOM 72 CG LYS A 157 -6.688 8.468 -2.795 1.00 0.00 C ATOM 73 CD LYS A 157 -7.177 8.652 -1.368 1.00 0.00 C ATOM 74 CE LYS A 157 -7.811 10.020 -1.170 1.00 0.00 C ATOM 75 NZ LYS A 157 -8.878 10.288 -2.174 1.00 0.00 N ATOM 0 H LYS A 157 -7.532 5.620 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 157 -7.201 6.287 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.478 6.899 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.076 7.340 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -6.057 9.311 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -7.539 8.466 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.903 7.875 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.342 8.533 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -8.232 10.083 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.043 10.790 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -9.542 10.993 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.448 10.652 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -9.390 9.406 -2.380 1.00 0.00 H new ATOM 89 N PHE A 158 -5.713 4.394 -4.952 1.00 0.00 N ATOM 90 CA PHE A 158 -4.895 3.239 -5.299 1.00 0.00 C ATOM 91 C PHE A 158 -3.442 3.649 -5.527 1.00 0.00 C ATOM 92 O PHE A 158 -3.167 4.715 -6.079 1.00 0.00 O ATOM 93 CB PHE A 158 -5.445 2.555 -6.554 1.00 0.00 C ATOM 94 CG PHE A 158 -6.728 1.812 -6.316 1.00 0.00 C ATOM 95 CD1 PHE A 158 -6.712 0.481 -5.928 1.00 0.00 C ATOM 96 CD2 PHE A 158 -7.950 2.442 -6.483 1.00 0.00 C ATOM 97 CE1 PHE A 158 -7.891 -0.205 -5.709 1.00 0.00 C ATOM 98 CE2 PHE A 158 -9.132 1.761 -6.265 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.103 0.435 -5.878 1.00 0.00 C ATOM 0 H PHE A 158 -6.142 4.862 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 158 -4.931 2.538 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.607 3.307 -7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.697 1.860 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -5.767 -0.025 -5.795 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -7.979 3.478 -6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -7.865 -1.241 -5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -10.078 2.265 -6.397 1.00 0.00 H new ATOM 0 HZ PHE A 158 -10.026 -0.100 -5.708 1.00 0.00 H new ATOM 109 N VAL A 159 -2.519 2.796 -5.097 1.00 0.00 N ATOM 110 CA VAL A 159 -1.095 3.070 -5.254 1.00 0.00 C ATOM 111 C VAL A 159 -0.393 1.936 -5.990 1.00 0.00 C ATOM 112 O VAL A 159 -0.864 0.797 -5.991 1.00 0.00 O ATOM 113 CB VAL A 159 -0.407 3.282 -3.891 1.00 0.00 C ATOM 114 CG1 VAL A 159 -0.742 4.657 -3.332 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.809 2.189 -2.914 1.00 0.00 C ATOM 0 H VAL A 159 -2.731 1.910 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.015 3.986 -5.840 1.00 0.00 H new ATOM 0 HB VAL A 159 0.672 3.227 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.248 4.789 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.398 5.425 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -1.821 4.743 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.313 2.356 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.889 2.208 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.513 1.218 -3.312 1.00 0.00 H new ATOM 125 N GLN A 160 0.736 2.250 -6.615 1.00 0.00 N ATOM 126 CA GLN A 160 1.506 1.257 -7.355 1.00 0.00 C ATOM 127 C GLN A 160 2.862 1.027 -6.697 1.00 0.00 C ATOM 128 O GLN A 160 3.672 1.945 -6.583 1.00 0.00 O ATOM 129 CB GLN A 160 1.697 1.706 -8.806 1.00 0.00 C ATOM 130 CG GLN A 160 1.700 0.559 -9.802 1.00 0.00 C ATOM 131 CD GLN A 160 2.598 0.824 -10.993 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.587 1.551 -10.892 1.00 0.00 O ATOM 133 NE2 GLN A 160 2.259 0.235 -12.134 1.00 0.00 N ATOM 0 H GLN A 160 1.139 3.187 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 160 0.952 0.318 -7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.901 2.403 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.638 2.250 -8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 160 2.027 -0.352 -9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.682 0.383 -10.151 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.431 -0.360 -12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.826 0.377 -12.970 1.00 0.00 H new ATOM 142 N ALA A 161 3.099 -0.205 -6.264 1.00 0.00 N ATOM 143 CA ALA A 161 4.352 -0.562 -5.612 1.00 0.00 C ATOM 144 C ALA A 161 5.504 -0.614 -6.610 1.00 0.00 C ATOM 145 O ALA A 161 5.308 -0.922 -7.785 1.00 0.00 O ATOM 146 CB ALA A 161 4.209 -1.899 -4.905 1.00 0.00 C ATOM 0 H ALA A 161 2.437 -0.976 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 161 4.581 0.210 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 161 5.151 -2.157 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.422 -1.831 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.952 -2.669 -5.632 1.00 0.00 H new ATOM 152 N LEU A 162 6.706 -0.319 -6.128 1.00 0.00 N ATOM 153 CA LEU A 162 7.896 -0.344 -6.974 1.00 0.00 C ATOM 154 C LEU A 162 8.820 -1.499 -6.588 1.00 0.00 C ATOM 155 O LEU A 162 9.686 -1.898 -7.365 1.00 0.00 O ATOM 156 CB LEU A 162 8.653 0.981 -6.883 1.00 0.00 C ATOM 157 CG LEU A 162 8.811 1.536 -5.469 1.00 0.00 C ATOM 158 CD1 LEU A 162 10.278 1.784 -5.146 1.00 0.00 C ATOM 159 CD2 LEU A 162 8.003 2.814 -5.303 1.00 0.00 C ATOM 0 H LEU A 162 6.883 -0.060 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 162 7.567 -0.492 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.644 0.847 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 162 8.135 1.721 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 162 8.429 0.794 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 162 10.366 2.179 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.830 0.847 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.690 2.504 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 162 8.128 3.194 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.352 3.560 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.949 2.604 -5.484 1.00 0.00 H new ATOM 171 N PHE A 163 8.628 -2.032 -5.384 1.00 0.00 N ATOM 172 CA PHE A 163 9.442 -3.142 -4.899 1.00 0.00 C ATOM 173 C PHE A 163 8.600 -4.105 -4.066 1.00 0.00 C ATOM 174 O PHE A 163 7.883 -3.692 -3.155 1.00 0.00 O ATOM 175 CB PHE A 163 10.614 -2.615 -4.067 1.00 0.00 C ATOM 176 CG PHE A 163 11.950 -2.814 -4.721 1.00 0.00 C ATOM 177 CD1 PHE A 163 12.291 -2.103 -5.860 1.00 0.00 C ATOM 178 CD2 PHE A 163 12.865 -3.713 -4.198 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.521 -2.283 -6.464 1.00 0.00 C ATOM 180 CE2 PHE A 163 14.096 -3.899 -4.798 1.00 0.00 C ATOM 181 CZ PHE A 163 14.424 -3.183 -5.933 1.00 0.00 C ATOM 0 H PHE A 163 7.916 -1.713 -4.727 1.00 0.00 H new ATOM 0 HA PHE A 163 9.834 -3.682 -5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 163 10.466 -1.552 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 163 10.615 -3.114 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 163 11.588 -1.400 -6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 163 12.613 -4.275 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 163 13.776 -1.721 -7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 163 14.800 -4.603 -4.380 1.00 0.00 H new ATOM 0 HZ PHE A 163 15.385 -3.327 -6.404 1.00 0.00 H new ATOM 191 N ASP A 164 8.691 -5.392 -4.387 1.00 0.00 N ATOM 192 CA ASP A 164 7.936 -6.414 -3.668 1.00 0.00 C ATOM 193 C ASP A 164 8.305 -6.423 -2.189 1.00 0.00 C ATOM 194 O ASP A 164 9.414 -6.045 -1.812 1.00 0.00 O ATOM 195 CB ASP A 164 8.196 -7.792 -4.279 1.00 0.00 C ATOM 196 CG ASP A 164 8.059 -7.792 -5.789 1.00 0.00 C ATOM 197 OD1 ASP A 164 8.734 -6.972 -6.447 1.00 0.00 O ATOM 198 OD2 ASP A 164 7.274 -8.609 -6.314 1.00 0.00 O ATOM 0 H ASP A 164 9.279 -5.752 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 164 6.876 -6.178 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.199 -8.123 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 164 7.497 -8.512 -3.854 1.00 0.00 H new ATOM 203 N PHE A 165 7.367 -6.857 -1.351 1.00 0.00 N ATOM 204 CA PHE A 165 7.596 -6.913 0.087 1.00 0.00 C ATOM 205 C PHE A 165 6.998 -8.182 0.686 1.00 0.00 C ATOM 206 O PHE A 165 5.794 -8.417 0.594 1.00 0.00 O ATOM 207 CB PHE A 165 6.993 -5.684 0.769 1.00 0.00 C ATOM 208 CG PHE A 165 7.251 -5.631 2.247 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.546 -5.557 2.735 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.198 -5.655 3.148 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.785 -5.508 4.096 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.432 -5.607 4.509 1.00 0.00 C ATOM 213 CZ PHE A 165 7.727 -5.533 4.983 1.00 0.00 C ATOM 0 H PHE A 165 6.443 -7.174 -1.644 1.00 0.00 H new ATOM 0 HA PHE A 165 8.673 -6.924 0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 165 7.399 -4.785 0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.917 -5.674 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 165 9.377 -5.537 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.183 -5.712 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.798 -5.450 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.603 -5.627 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 165 7.912 -5.495 6.046 1.00 0.00 H new ATOM 223 N ASN A 166 7.851 -8.996 1.301 1.00 0.00 N ATOM 224 CA ASN A 166 7.409 -10.241 1.918 1.00 0.00 C ATOM 225 C ASN A 166 7.461 -10.138 3.441 1.00 0.00 C ATOM 226 O ASN A 166 8.462 -10.497 4.060 1.00 0.00 O ATOM 227 CB ASN A 166 8.278 -11.408 1.442 1.00 0.00 C ATOM 228 CG ASN A 166 7.672 -12.134 0.257 1.00 0.00 C ATOM 229 OD1 ASN A 166 6.495 -12.490 0.270 1.00 0.00 O ATOM 230 ND2 ASN A 166 8.478 -12.358 -0.774 1.00 0.00 N ATOM 0 H ASN A 166 8.851 -8.815 1.385 1.00 0.00 H new ATOM 0 HA ASN A 166 6.377 -10.422 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 166 9.265 -11.035 1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 166 8.418 -12.111 2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 166 8.127 -12.844 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 166 9.448 -12.044 -0.741 1.00 0.00 H new ATOM 237 N PRO A 167 6.379 -9.643 4.065 1.00 0.00 N ATOM 238 CA PRO A 167 6.308 -9.492 5.519 1.00 0.00 C ATOM 239 C PRO A 167 6.080 -10.821 6.230 1.00 0.00 C ATOM 240 O PRO A 167 5.085 -11.505 5.988 1.00 0.00 O ATOM 241 CB PRO A 167 5.107 -8.568 5.715 1.00 0.00 C ATOM 242 CG PRO A 167 4.232 -8.823 4.535 1.00 0.00 C ATOM 243 CD PRO A 167 5.142 -9.190 3.399 1.00 0.00 C ATOM 0 HA PRO A 167 7.237 -9.104 5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 167 4.587 -8.788 6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 167 5.415 -7.523 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 167 3.527 -9.628 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 167 3.644 -7.939 4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 167 4.711 -9.977 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 167 5.329 -8.338 2.746 1.00 0.00 H new ATOM 251 N GLN A 168 7.008 -11.179 7.111 1.00 0.00 N ATOM 252 CA GLN A 168 6.907 -12.424 7.863 1.00 0.00 C ATOM 253 C GLN A 168 6.282 -12.187 9.236 1.00 0.00 C ATOM 254 O GLN A 168 6.447 -12.993 10.150 1.00 0.00 O ATOM 255 CB GLN A 168 8.291 -13.060 8.023 1.00 0.00 C ATOM 256 CG GLN A 168 9.092 -13.108 6.732 1.00 0.00 C ATOM 257 CD GLN A 168 10.009 -14.312 6.660 1.00 0.00 C ATOM 258 OE1 GLN A 168 10.962 -14.427 7.432 1.00 0.00 O ATOM 259 NE2 GLN A 168 9.727 -15.217 5.731 1.00 0.00 N ATOM 0 H GLN A 168 7.838 -10.625 7.322 1.00 0.00 H new ATOM 0 HA GLN A 168 6.262 -13.103 7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 168 8.855 -12.501 8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 168 8.174 -14.074 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.407 -13.126 5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 168 9.685 -12.198 6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.927 -15.081 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.310 -16.049 5.635 1.00 0.00 H new ATOM 268 N GLU A 169 5.564 -11.075 9.372 1.00 0.00 N ATOM 269 CA GLU A 169 4.913 -10.734 10.632 1.00 0.00 C ATOM 270 C GLU A 169 3.525 -10.157 10.386 1.00 0.00 C ATOM 271 O GLU A 169 3.138 -9.908 9.244 1.00 0.00 O ATOM 272 CB GLU A 169 5.765 -9.733 11.415 1.00 0.00 C ATOM 273 CG GLU A 169 7.183 -10.212 11.675 1.00 0.00 C ATOM 274 CD GLU A 169 7.864 -9.439 12.787 1.00 0.00 C ATOM 275 OE1 GLU A 169 7.451 -9.589 13.956 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.814 -8.682 12.490 1.00 0.00 O ATOM 0 H GLU A 169 5.419 -10.396 8.625 1.00 0.00 H new ATOM 0 HA GLU A 169 4.808 -11.647 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.803 -8.793 10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 169 5.280 -9.524 12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 169 7.163 -11.271 11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 169 7.768 -10.117 10.760 1.00 0.00 H new ATOM 283 N SER A 170 2.776 -9.948 11.464 1.00 0.00 N ATOM 284 CA SER A 170 1.429 -9.400 11.361 1.00 0.00 C ATOM 285 C SER A 170 1.451 -7.876 11.434 1.00 0.00 C ATOM 286 O SER A 170 2.282 -7.289 12.127 1.00 0.00 O ATOM 287 CB SER A 170 0.540 -9.961 12.472 1.00 0.00 C ATOM 288 OG SER A 170 -0.776 -10.198 12.004 1.00 0.00 O ATOM 0 H SER A 170 3.079 -10.149 12.417 1.00 0.00 H new ATOM 0 HA SER A 170 1.020 -9.693 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.967 -10.890 12.849 1.00 0.00 H new ATOM 0 HB3 SER A 170 0.511 -9.261 13.307 1.00 0.00 H new ATOM 0 HG SER A 170 -1.323 -10.558 12.733 1.00 0.00 H new ATOM 294 N GLY A 171 0.532 -7.244 10.713 1.00 0.00 N ATOM 295 CA GLY A 171 0.461 -5.795 10.706 1.00 0.00 C ATOM 296 C GLY A 171 0.889 -5.203 9.378 1.00 0.00 C ATOM 297 O GLY A 171 0.348 -4.188 8.940 1.00 0.00 O ATOM 0 H GLY A 171 -0.166 -7.710 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -0.559 -5.483 10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.095 -5.399 11.499 1.00 0.00 H new ATOM 301 N GLU A 172 1.859 -5.841 8.736 1.00 0.00 N ATOM 302 CA GLU A 172 2.361 -5.374 7.448 1.00 0.00 C ATOM 303 C GLU A 172 1.673 -6.106 6.302 1.00 0.00 C ATOM 304 O GLU A 172 1.517 -7.327 6.338 1.00 0.00 O ATOM 305 CB GLU A 172 3.875 -5.573 7.362 1.00 0.00 C ATOM 306 CG GLU A 172 4.618 -5.137 8.614 1.00 0.00 C ATOM 307 CD GLU A 172 6.003 -5.746 8.711 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.530 -6.195 7.671 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.562 -5.775 9.828 1.00 0.00 O ATOM 0 H GLU A 172 2.315 -6.684 9.085 1.00 0.00 H new ATOM 0 HA GLU A 172 2.139 -4.310 7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.085 -6.626 7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 172 4.259 -5.014 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 172 4.701 -4.050 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.038 -5.419 9.493 1.00 0.00 H new ATOM 316 N LEU A 173 1.255 -5.356 5.287 1.00 0.00 N ATOM 317 CA LEU A 173 0.579 -5.946 4.138 1.00 0.00 C ATOM 318 C LEU A 173 1.585 -6.588 3.183 1.00 0.00 C ATOM 319 O LEU A 173 2.696 -6.088 3.008 1.00 0.00 O ATOM 320 CB LEU A 173 -0.270 -4.886 3.411 1.00 0.00 C ATOM 321 CG LEU A 173 -0.009 -4.724 1.912 1.00 0.00 C ATOM 322 CD1 LEU A 173 -0.659 -5.856 1.130 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.522 -3.376 1.426 1.00 0.00 C ATOM 0 H LEU A 173 1.372 -4.344 5.237 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.087 -6.731 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.322 -5.135 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.103 -3.923 3.894 1.00 0.00 H new ATOM 0 HG LEU A 173 1.067 -4.765 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -0.462 -5.723 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.246 -6.810 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -1.735 -5.847 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.329 -3.277 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.594 -3.308 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.011 -2.577 1.963 1.00 0.00 H new ATOM 335 N ALA A 174 1.182 -7.690 2.558 1.00 0.00 N ATOM 336 CA ALA A 174 2.044 -8.389 1.611 1.00 0.00 C ATOM 337 C ALA A 174 1.714 -7.968 0.183 1.00 0.00 C ATOM 338 O ALA A 174 0.620 -8.240 -0.315 1.00 0.00 O ATOM 339 CB ALA A 174 1.898 -9.894 1.771 1.00 0.00 C ATOM 0 H ALA A 174 0.265 -8.118 2.690 1.00 0.00 H new ATOM 0 HA ALA A 174 3.079 -8.120 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 174 2.548 -10.401 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 174 2.179 -10.181 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.863 -10.181 1.586 1.00 0.00 H new ATOM 345 N PHE A 175 2.657 -7.296 -0.469 1.00 0.00 N ATOM 346 CA PHE A 175 2.449 -6.831 -1.834 1.00 0.00 C ATOM 347 C PHE A 175 3.643 -7.161 -2.723 1.00 0.00 C ATOM 348 O PHE A 175 4.661 -7.667 -2.253 1.00 0.00 O ATOM 349 CB PHE A 175 2.191 -5.323 -1.847 1.00 0.00 C ATOM 350 CG PHE A 175 3.207 -4.525 -1.077 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.310 -4.651 0.301 1.00 0.00 C ATOM 352 CD2 PHE A 175 4.055 -3.646 -1.732 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.241 -3.916 1.009 1.00 0.00 C ATOM 354 CE2 PHE A 175 4.988 -2.908 -1.027 1.00 0.00 C ATOM 355 CZ PHE A 175 5.080 -3.043 0.344 1.00 0.00 C ATOM 0 H PHE A 175 3.569 -7.062 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 175 1.577 -7.349 -2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 175 2.177 -4.975 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.202 -5.130 -1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.655 -5.331 0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 175 3.986 -3.536 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.313 -4.024 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 175 5.644 -2.227 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 175 5.807 -2.466 0.896 1.00 0.00 H new ATOM 365 N LYS A 176 3.507 -6.863 -4.011 1.00 0.00 N ATOM 366 CA LYS A 176 4.568 -7.121 -4.976 1.00 0.00 C ATOM 367 C LYS A 176 4.872 -5.866 -5.791 1.00 0.00 C ATOM 368 O LYS A 176 4.394 -4.778 -5.470 1.00 0.00 O ATOM 369 CB LYS A 176 4.175 -8.272 -5.907 1.00 0.00 C ATOM 370 CG LYS A 176 2.995 -7.952 -6.808 1.00 0.00 C ATOM 371 CD LYS A 176 2.675 -9.109 -7.739 1.00 0.00 C ATOM 372 CE LYS A 176 1.424 -8.837 -8.559 1.00 0.00 C ATOM 373 NZ LYS A 176 1.738 -8.153 -9.844 1.00 0.00 N ATOM 0 H LYS A 176 2.669 -6.441 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 176 5.467 -7.404 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 176 5.032 -8.536 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 176 3.934 -9.148 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 176 2.122 -7.723 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 176 3.216 -7.061 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 176 3.518 -9.283 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 176 2.538 -10.019 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 176 0.913 -9.778 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 176 0.737 -8.221 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 0.858 -7.986 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 2.202 -7.243 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 2.373 -8.751 -10.410 1.00 0.00 H new ATOM 387 N ARG A 177 5.670 -6.023 -6.841 1.00 0.00 N ATOM 388 CA ARG A 177 6.036 -4.897 -7.694 1.00 0.00 C ATOM 389 C ARG A 177 4.892 -4.511 -8.625 1.00 0.00 C ATOM 390 O ARG A 177 4.204 -5.370 -9.176 1.00 0.00 O ATOM 391 CB ARG A 177 7.283 -5.239 -8.513 1.00 0.00 C ATOM 392 CG ARG A 177 8.489 -4.382 -8.168 1.00 0.00 C ATOM 393 CD ARG A 177 9.640 -4.626 -9.129 1.00 0.00 C ATOM 394 NE ARG A 177 10.405 -5.819 -8.776 1.00 0.00 N ATOM 395 CZ ARG A 177 11.319 -5.855 -7.808 1.00 0.00 C ATOM 396 NH1 ARG A 177 11.583 -4.766 -7.096 1.00 0.00 N ATOM 397 NH2 ARG A 177 11.968 -6.981 -7.551 1.00 0.00 N ATOM 0 H ARG A 177 6.075 -6.916 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 177 6.250 -4.045 -7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.535 -6.288 -8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 177 7.055 -5.122 -9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 177 8.208 -3.329 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.812 -4.599 -7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 177 9.250 -4.732 -10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 177 10.301 -3.759 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 177 10.229 -6.675 -9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 177 11.085 -3.897 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 177 12.284 -4.798 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 177 11.768 -7.821 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 177 12.668 -7.008 -6.810 1.00 0.00 H new ATOM 411 N GLY A 178 4.702 -3.206 -8.797 1.00 0.00 N ATOM 412 CA GLY A 178 3.648 -2.712 -9.666 1.00 0.00 C ATOM 413 C GLY A 178 2.272 -3.204 -9.267 1.00 0.00 C ATOM 414 O GLY A 178 1.346 -3.190 -10.079 1.00 0.00 O ATOM 0 H GLY A 178 5.261 -2.480 -8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.656 -1.622 -9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.855 -3.021 -10.691 1.00 0.00 H new ATOM 418 N ASP A 179 2.128 -3.637 -8.020 1.00 0.00 N ATOM 419 CA ASP A 179 0.848 -4.129 -7.532 1.00 0.00 C ATOM 420 C ASP A 179 -0.038 -2.973 -7.072 1.00 0.00 C ATOM 421 O ASP A 179 0.338 -2.203 -6.189 1.00 0.00 O ATOM 422 CB ASP A 179 1.064 -5.141 -6.397 1.00 0.00 C ATOM 423 CG ASP A 179 1.186 -4.492 -5.032 1.00 0.00 C ATOM 424 OD1 ASP A 179 2.212 -3.826 -4.778 1.00 0.00 O ATOM 425 OD2 ASP A 179 0.254 -4.649 -4.214 1.00 0.00 O ATOM 0 H ASP A 179 2.880 -3.657 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 179 0.337 -4.635 -8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 179 0.232 -5.845 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.967 -5.717 -6.600 1.00 0.00 H new ATOM 430 N VAL A 180 -1.215 -2.856 -7.678 1.00 0.00 N ATOM 431 CA VAL A 180 -2.150 -1.793 -7.327 1.00 0.00 C ATOM 432 C VAL A 180 -2.769 -2.045 -5.958 1.00 0.00 C ATOM 433 O VAL A 180 -3.649 -2.892 -5.809 1.00 0.00 O ATOM 434 CB VAL A 180 -3.272 -1.663 -8.375 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.151 -0.458 -8.070 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.689 -1.565 -9.775 1.00 0.00 C ATOM 0 H VAL A 180 -1.544 -3.483 -8.413 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.583 -0.862 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 180 -3.892 -2.558 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.938 -0.382 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.600 -0.576 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.545 0.448 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.498 -1.474 -10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.043 -0.689 -9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.108 -2.461 -9.991 1.00 0.00 H new ATOM 446 N ILE A 181 -2.301 -1.306 -4.957 1.00 0.00 N ATOM 447 CA ILE A 181 -2.806 -1.453 -3.597 1.00 0.00 C ATOM 448 C ILE A 181 -3.821 -0.366 -3.260 1.00 0.00 C ATOM 449 O ILE A 181 -3.628 0.803 -3.595 1.00 0.00 O ATOM 450 CB ILE A 181 -1.665 -1.404 -2.563 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.529 -2.342 -2.977 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.186 -1.771 -1.181 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.786 -2.030 -2.298 1.00 0.00 C ATOM 0 H ILE A 181 -1.573 -0.599 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.292 -2.428 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.274 -0.387 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.814 -3.369 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.395 -2.283 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.368 -1.732 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -2.963 -1.066 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.601 -2.779 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.547 -2.733 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 181 1.093 -1.015 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.667 -2.117 -1.218 1.00 0.00 H new ATOM 465 N THR A 182 -4.900 -0.760 -2.593 1.00 0.00 N ATOM 466 CA THR A 182 -5.942 0.180 -2.200 1.00 0.00 C ATOM 467 C THR A 182 -5.657 0.741 -0.812 1.00 0.00 C ATOM 468 O THR A 182 -5.979 0.119 0.199 1.00 0.00 O ATOM 469 CB THR A 182 -7.310 -0.501 -2.217 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.366 -1.490 -3.230 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.456 0.459 -2.451 1.00 0.00 C ATOM 0 H THR A 182 -5.076 -1.725 -2.313 1.00 0.00 H new ATOM 0 HA THR A 182 -5.950 1.002 -2.916 1.00 0.00 H new ATOM 0 HB THR A 182 -7.423 -0.942 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 182 -6.953 -1.144 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.397 -0.091 -2.451 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.472 1.206 -1.658 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.325 0.954 -3.413 1.00 0.00 H new ATOM 479 N LEU A 183 -5.041 1.921 -0.771 1.00 0.00 N ATOM 480 CA LEU A 183 -4.699 2.566 0.493 1.00 0.00 C ATOM 481 C LEU A 183 -5.872 2.545 1.469 1.00 0.00 C ATOM 482 O LEU A 183 -6.972 2.998 1.149 1.00 0.00 O ATOM 483 CB LEU A 183 -4.253 4.009 0.253 1.00 0.00 C ATOM 484 CG LEU A 183 -3.567 4.680 1.450 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.126 5.032 1.116 1.00 0.00 C ATOM 486 CD2 LEU A 183 -4.331 5.923 1.878 1.00 0.00 C ATOM 0 H LEU A 183 -4.769 2.449 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.878 2.003 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.569 4.026 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.124 4.601 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.565 3.973 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -1.658 5.507 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -1.579 4.124 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -2.106 5.718 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -3.828 6.384 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -4.367 6.631 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -5.346 5.646 2.163 1.00 0.00 H new ATOM 498 N ILE A 184 -5.623 2.021 2.663 1.00 0.00 N ATOM 499 CA ILE A 184 -6.646 1.941 3.698 1.00 0.00 C ATOM 500 C ILE A 184 -6.645 3.206 4.551 1.00 0.00 C ATOM 501 O ILE A 184 -7.701 3.758 4.861 1.00 0.00 O ATOM 502 CB ILE A 184 -6.423 0.721 4.617 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.342 -0.566 3.796 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.532 0.620 5.657 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.678 -1.707 4.536 1.00 0.00 C ATOM 0 H ILE A 184 -4.717 1.643 2.939 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.607 1.835 3.194 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.475 0.857 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.348 -0.867 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.791 -0.368 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.355 -0.247 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.542 1.523 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.493 0.511 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.653 -2.590 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.660 -1.424 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.242 -1.931 5.442 1.00 0.00 H new ATOM 517 N ASN A 185 -5.454 3.657 4.929 1.00 0.00 N ATOM 518 CA ASN A 185 -5.314 4.855 5.746 1.00 0.00 C ATOM 519 C ASN A 185 -3.857 5.312 5.801 1.00 0.00 C ATOM 520 O ASN A 185 -2.937 4.499 5.712 1.00 0.00 O ATOM 521 CB ASN A 185 -5.834 4.598 7.160 1.00 0.00 C ATOM 522 CG ASN A 185 -5.297 3.308 7.747 1.00 0.00 C ATOM 523 OD1 ASN A 185 -6.025 2.325 7.884 1.00 0.00 O ATOM 524 ND2 ASN A 185 -4.017 3.306 8.097 1.00 0.00 N ATOM 0 H ASN A 185 -4.571 3.210 4.682 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.906 5.647 5.287 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -5.554 5.431 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -6.923 4.560 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -3.599 2.466 8.498 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -3.451 4.144 7.965 1.00 0.00 H new ATOM 531 N LYS A 186 -3.660 6.617 5.953 1.00 0.00 N ATOM 532 CA LYS A 186 -2.321 7.188 6.023 1.00 0.00 C ATOM 533 C LYS A 186 -2.025 7.698 7.430 1.00 0.00 C ATOM 534 O LYS A 186 -1.581 8.833 7.611 1.00 0.00 O ATOM 535 CB LYS A 186 -2.178 8.329 5.014 1.00 0.00 C ATOM 536 CG LYS A 186 -1.943 7.856 3.590 1.00 0.00 C ATOM 537 CD LYS A 186 -2.250 8.952 2.583 1.00 0.00 C ATOM 538 CE LYS A 186 -3.716 9.352 2.623 1.00 0.00 C ATOM 539 NZ LYS A 186 -4.122 10.096 1.399 1.00 0.00 N ATOM 0 H LYS A 186 -4.413 7.301 6.030 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.603 6.405 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -3.079 8.941 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -1.349 8.969 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -0.907 7.537 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.568 6.987 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -1.629 9.823 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -1.993 8.609 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -4.333 8.460 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.900 9.971 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -5.128 10.351 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -3.551 10.961 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -3.971 9.497 0.562 1.00 0.00 H new ATOM 553 N ASP A 187 -2.273 6.852 8.425 1.00 0.00 N ATOM 554 CA ASP A 187 -2.033 7.218 9.816 1.00 0.00 C ATOM 555 C ASP A 187 -0.585 7.654 10.027 1.00 0.00 C ATOM 556 O ASP A 187 -0.275 8.365 10.983 1.00 0.00 O ATOM 557 CB ASP A 187 -2.363 6.043 10.738 1.00 0.00 C ATOM 558 CG ASP A 187 -3.836 5.982 11.093 1.00 0.00 C ATOM 559 OD1 ASP A 187 -4.292 6.837 11.879 1.00 0.00 O ATOM 560 OD2 ASP A 187 -4.533 5.081 10.582 1.00 0.00 O ATOM 0 H ASP A 187 -2.640 5.909 8.294 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.683 8.058 10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -2.070 5.111 10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.775 6.126 11.652 1.00 0.00 H new ATOM 565 N ASP A 188 0.298 7.225 9.130 1.00 0.00 N ATOM 566 CA ASP A 188 1.711 7.575 9.221 1.00 0.00 C ATOM 567 C ASP A 188 2.205 8.175 7.905 1.00 0.00 C ATOM 568 O ASP A 188 2.020 7.585 6.843 1.00 0.00 O ATOM 569 CB ASP A 188 2.542 6.341 9.576 1.00 0.00 C ATOM 570 CG ASP A 188 3.933 6.701 10.062 1.00 0.00 C ATOM 571 OD1 ASP A 188 4.084 6.992 11.267 1.00 0.00 O ATOM 572 OD2 ASP A 188 4.872 6.690 9.237 1.00 0.00 O ATOM 0 H ASP A 188 0.060 6.635 8.333 1.00 0.00 H new ATOM 0 HA ASP A 188 1.827 8.320 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.027 5.769 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.621 5.696 8.701 1.00 0.00 H new ATOM 577 N PRO A 189 2.843 9.359 7.954 1.00 0.00 N ATOM 578 CA PRO A 189 3.357 10.030 6.753 1.00 0.00 C ATOM 579 C PRO A 189 4.311 9.150 5.948 1.00 0.00 C ATOM 580 O PRO A 189 4.549 9.401 4.767 1.00 0.00 O ATOM 581 CB PRO A 189 4.096 11.260 7.303 1.00 0.00 C ATOM 582 CG PRO A 189 4.277 10.995 8.760 1.00 0.00 C ATOM 583 CD PRO A 189 3.117 10.138 9.171 1.00 0.00 C ATOM 0 HA PRO A 189 2.552 10.278 6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.057 11.396 6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 189 3.520 12.171 7.138 1.00 0.00 H new ATOM 0 HG2 PRO A 189 5.223 10.488 8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 189 4.295 11.926 9.327 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.367 9.495 10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 189 2.257 10.737 9.470 1.00 0.00 H new ATOM 591 N ASN A 190 4.860 8.124 6.591 1.00 0.00 N ATOM 592 CA ASN A 190 5.789 7.219 5.924 1.00 0.00 C ATOM 593 C ASN A 190 5.193 5.826 5.765 1.00 0.00 C ATOM 594 O ASN A 190 5.484 5.123 4.800 1.00 0.00 O ATOM 595 CB ASN A 190 7.093 7.121 6.715 1.00 0.00 C ATOM 596 CG ASN A 190 8.040 8.256 6.402 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.302 9.120 7.241 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.562 8.260 5.183 1.00 0.00 N ATOM 0 H ASN A 190 4.678 7.899 7.569 1.00 0.00 H new ATOM 0 HA ASN A 190 5.988 7.627 4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.869 7.121 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.580 6.172 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.209 8.999 4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.317 7.524 4.521 1.00 0.00 H new ATOM 605 N TRP A 191 4.369 5.430 6.727 1.00 0.00 N ATOM 606 CA TRP A 191 3.746 4.115 6.698 1.00 0.00 C ATOM 607 C TRP A 191 2.270 4.213 6.327 1.00 0.00 C ATOM 608 O TRP A 191 1.449 4.679 7.117 1.00 0.00 O ATOM 609 CB TRP A 191 3.910 3.435 8.056 1.00 0.00 C ATOM 610 CG TRP A 191 5.218 2.719 8.205 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.428 3.280 8.504 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.453 1.315 8.059 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.398 2.309 8.552 1.00 0.00 N ATOM 614 CE2 TRP A 191 6.825 1.094 8.283 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.634 0.220 7.760 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.395 -0.175 8.219 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.203 -1.039 7.696 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.572 -1.226 7.926 1.00 0.00 C ATOM 0 H TRP A 191 4.118 6.000 7.535 1.00 0.00 H new ATOM 0 HA TRP A 191 4.242 3.516 5.935 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.822 4.184 8.843 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.096 2.724 8.200 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.597 4.333 8.677 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.385 2.467 8.755 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.577 0.356 7.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.450 -0.323 8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.582 -1.892 7.465 1.00 0.00 H new ATOM 0 HH2 TRP A 191 6.986 -2.222 7.871 1.00 0.00 H new ATOM 629 N TRP A 192 1.942 3.767 5.119 1.00 0.00 N ATOM 630 CA TRP A 192 0.567 3.800 4.637 1.00 0.00 C ATOM 631 C TRP A 192 -0.032 2.401 4.609 1.00 0.00 C ATOM 632 O TRP A 192 0.623 1.439 4.207 1.00 0.00 O ATOM 633 CB TRP A 192 0.510 4.413 3.233 1.00 0.00 C ATOM 634 CG TRP A 192 0.894 5.861 3.191 1.00 0.00 C ATOM 635 CD1 TRP A 192 1.299 6.634 4.241 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.905 6.711 2.038 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.565 7.911 3.812 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.331 7.983 2.463 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.600 6.519 0.689 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.457 9.058 1.585 1.00 0.00 C ATOM 641 CZ3 TRP A 192 0.726 7.585 -0.182 1.00 0.00 C ATOM 642 CH2 TRP A 192 1.153 8.840 0.270 1.00 0.00 C ATOM 0 H TRP A 192 2.611 3.378 4.455 1.00 0.00 H new ATOM 0 HA TRP A 192 -0.015 4.416 5.323 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.172 3.852 2.574 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.500 4.303 2.839 1.00 0.00 H new ATOM 0 HD1 TRP A 192 1.396 6.291 5.260 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.884 8.680 4.401 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.271 5.554 0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.783 10.028 1.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 0.492 7.448 -1.227 1.00 0.00 H new ATOM 0 HH2 TRP A 192 1.244 9.653 -0.435 1.00 0.00 H new ATOM 653 N GLU A 193 -1.289 2.292 5.026 1.00 0.00 N ATOM 654 CA GLU A 193 -1.984 1.012 5.035 1.00 0.00 C ATOM 655 C GLU A 193 -2.680 0.795 3.697 1.00 0.00 C ATOM 656 O GLU A 193 -3.073 1.757 3.038 1.00 0.00 O ATOM 657 CB GLU A 193 -3.003 0.969 6.176 1.00 0.00 C ATOM 658 CG GLU A 193 -3.550 -0.423 6.454 1.00 0.00 C ATOM 659 CD GLU A 193 -3.186 -0.931 7.835 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.240 -0.133 8.794 1.00 0.00 O ATOM 661 OE2 GLU A 193 -2.846 -2.127 7.957 1.00 0.00 O ATOM 0 H GLU A 193 -1.847 3.077 5.362 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.257 0.215 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.537 1.354 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.832 1.635 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.635 -0.410 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.167 -1.115 5.704 1.00 0.00 H new ATOM 668 N GLY A 194 -2.825 -0.461 3.290 1.00 0.00 N ATOM 669 CA GLY A 194 -3.470 -0.740 2.018 1.00 0.00 C ATOM 670 C GLY A 194 -4.219 -2.056 2.007 1.00 0.00 C ATOM 671 O GLY A 194 -3.946 -2.947 2.811 1.00 0.00 O ATOM 0 H GLY A 194 -2.513 -1.282 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -4.164 0.068 1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.717 -0.751 1.230 1.00 0.00 H new ATOM 675 N GLN A 195 -5.177 -2.171 1.090 1.00 0.00 N ATOM 676 CA GLN A 195 -5.985 -3.375 0.968 1.00 0.00 C ATOM 677 C GLN A 195 -5.907 -3.954 -0.442 1.00 0.00 C ATOM 678 O GLN A 195 -6.641 -3.533 -1.335 1.00 0.00 O ATOM 679 CB GLN A 195 -7.437 -3.070 1.315 1.00 0.00 C ATOM 680 CG GLN A 195 -8.161 -4.223 1.990 1.00 0.00 C ATOM 681 CD GLN A 195 -9.355 -4.711 1.189 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.983 -3.941 0.461 1.00 0.00 O ATOM 683 NE2 GLN A 195 -9.673 -5.992 1.321 1.00 0.00 N ATOM 0 H GLN A 195 -5.411 -1.439 0.419 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.590 -4.114 1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.469 -2.200 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.970 -2.802 0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.465 -5.049 2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -8.495 -3.908 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -9.124 -6.593 1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -10.466 -6.376 0.808 1.00 0.00 H new ATOM 692 N LEU A 196 -5.022 -4.927 -0.632 1.00 0.00 N ATOM 693 CA LEU A 196 -4.866 -5.567 -1.933 1.00 0.00 C ATOM 694 C LEU A 196 -6.040 -6.501 -2.206 1.00 0.00 C ATOM 695 O LEU A 196 -5.901 -7.724 -2.148 1.00 0.00 O ATOM 696 CB LEU A 196 -3.547 -6.343 -1.993 1.00 0.00 C ATOM 697 CG LEU A 196 -2.417 -5.642 -2.752 1.00 0.00 C ATOM 698 CD1 LEU A 196 -1.194 -6.544 -2.850 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.887 -5.224 -4.140 1.00 0.00 C ATOM 0 H LEU A 196 -4.404 -5.288 0.095 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.848 -4.793 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -3.212 -6.540 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -3.733 -7.310 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 196 -2.136 -4.746 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -0.403 -6.027 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.844 -6.792 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -1.459 -7.459 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.072 -4.727 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.196 -6.106 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -3.730 -4.539 -4.048 1.00 0.00 H new ATOM 711 N ASN A 197 -7.200 -5.917 -2.491 1.00 0.00 N ATOM 712 CA ASN A 197 -8.408 -6.694 -2.763 1.00 0.00 C ATOM 713 C ASN A 197 -8.945 -7.316 -1.480 1.00 0.00 C ATOM 714 O ASN A 197 -10.049 -7.003 -1.037 1.00 0.00 O ATOM 715 CB ASN A 197 -8.132 -7.786 -3.800 1.00 0.00 C ATOM 716 CG ASN A 197 -7.322 -7.276 -4.977 1.00 0.00 C ATOM 717 OD1 ASN A 197 -6.106 -7.107 -4.883 1.00 0.00 O ATOM 718 ND2 ASN A 197 -7.997 -7.028 -6.094 1.00 0.00 N ATOM 0 H ASN A 197 -7.331 -4.907 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 197 -9.160 -6.016 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -7.598 -8.608 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -9.079 -8.188 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -7.508 -6.683 -6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -9.005 -7.183 -6.126 1.00 0.00 H new ATOM 725 N ASN A 198 -8.149 -8.195 -0.885 1.00 0.00 N ATOM 726 CA ASN A 198 -8.533 -8.862 0.355 1.00 0.00 C ATOM 727 C ASN A 198 -7.324 -9.043 1.268 1.00 0.00 C ATOM 728 O ASN A 198 -7.271 -9.979 2.064 1.00 0.00 O ATOM 729 CB ASN A 198 -9.165 -10.222 0.051 1.00 0.00 C ATOM 730 CG ASN A 198 -10.165 -10.642 1.108 1.00 0.00 C ATOM 731 OD1 ASN A 198 -11.368 -10.702 0.853 1.00 0.00 O ATOM 732 ND2 ASN A 198 -9.673 -10.938 2.306 1.00 0.00 N ATOM 0 H ASN A 198 -7.232 -8.464 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.264 -8.236 0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -9.661 -10.181 -0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -8.381 -10.976 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -10.299 -11.228 3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -8.669 -10.875 2.475 1.00 0.00 H new ATOM 739 N ARG A 199 -6.353 -8.142 1.146 1.00 0.00 N ATOM 740 CA ARG A 199 -5.143 -8.208 1.959 1.00 0.00 C ATOM 741 C ARG A 199 -4.854 -6.865 2.625 1.00 0.00 C ATOM 742 O ARG A 199 -4.367 -5.934 1.982 1.00 0.00 O ATOM 743 CB ARG A 199 -3.941 -8.624 1.103 1.00 0.00 C ATOM 744 CG ARG A 199 -4.263 -9.673 0.048 1.00 0.00 C ATOM 745 CD ARG A 199 -3.662 -11.024 0.403 1.00 0.00 C ATOM 746 NE ARG A 199 -4.047 -12.061 -0.550 1.00 0.00 N ATOM 747 CZ ARG A 199 -3.781 -13.355 -0.385 1.00 0.00 C ATOM 748 NH1 ARG A 199 -3.128 -13.775 0.693 1.00 0.00 N ATOM 749 NH2 ARG A 199 -4.167 -14.235 -1.300 1.00 0.00 N ATOM 0 H ARG A 199 -6.381 -7.359 0.493 1.00 0.00 H new ATOM 0 HA ARG A 199 -5.308 -8.955 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -3.537 -7.740 0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -3.159 -9.010 1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -5.344 -9.770 -0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -3.881 -9.347 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -2.575 -10.942 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -3.985 -11.313 1.403 1.00 0.00 H new ATOM 0 HE ARG A 199 -4.549 -11.777 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -2.827 -13.105 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -2.927 -14.768 0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -4.668 -13.920 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -3.963 -15.226 -1.173 1.00 0.00 H new ATOM 763 N ARG A 200 -5.144 -6.773 3.919 1.00 0.00 N ATOM 764 CA ARG A 200 -4.904 -5.547 4.670 1.00 0.00 C ATOM 765 C ARG A 200 -3.512 -5.562 5.285 1.00 0.00 C ATOM 766 O ARG A 200 -2.987 -6.625 5.620 1.00 0.00 O ATOM 767 CB ARG A 200 -5.947 -5.378 5.774 1.00 0.00 C ATOM 768 CG ARG A 200 -7.175 -4.600 5.337 1.00 0.00 C ATOM 769 CD ARG A 200 -8.417 -5.051 6.085 1.00 0.00 C ATOM 770 NE ARG A 200 -9.611 -5.016 5.241 1.00 0.00 N ATOM 771 CZ ARG A 200 -9.930 -5.968 4.368 1.00 0.00 C ATOM 772 NH1 ARG A 200 -9.149 -7.030 4.216 1.00 0.00 N ATOM 773 NH2 ARG A 200 -11.036 -5.858 3.643 1.00 0.00 N ATOM 0 H ARG A 200 -5.545 -7.533 4.469 1.00 0.00 H new ATOM 0 HA ARG A 200 -4.980 -4.709 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.257 -6.363 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.488 -4.869 6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.012 -3.536 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -7.327 -4.731 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.267 -6.064 6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.569 -4.411 6.954 1.00 0.00 H new ATOM 0 HE ARG A 200 -10.236 -4.214 5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -8.298 -7.121 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -9.400 -7.756 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -11.641 -5.044 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -11.282 -6.587 2.973 1.00 0.00 H new ATOM 787 N GLY A 201 -2.916 -4.385 5.433 1.00 0.00 N ATOM 788 CA GLY A 201 -1.589 -4.313 6.014 1.00 0.00 C ATOM 789 C GLY A 201 -0.940 -2.951 5.845 1.00 0.00 C ATOM 790 O GLY A 201 -1.352 -2.161 4.996 1.00 0.00 O ATOM 0 H GLY A 201 -3.322 -3.489 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.650 -4.551 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -0.955 -5.071 5.554 1.00 0.00 H new ATOM 794 N ILE A 202 0.086 -2.683 6.645 1.00 0.00 N ATOM 795 CA ILE A 202 0.804 -1.415 6.570 1.00 0.00 C ATOM 796 C ILE A 202 2.172 -1.604 5.930 1.00 0.00 C ATOM 797 O ILE A 202 2.778 -2.669 6.041 1.00 0.00 O ATOM 798 CB ILE A 202 0.985 -0.775 7.958 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.625 -1.770 8.928 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.349 -0.282 8.498 1.00 0.00 C ATOM 801 CD1 ILE A 202 2.747 -1.175 9.752 1.00 0.00 C ATOM 0 H ILE A 202 0.440 -3.326 7.353 1.00 0.00 H new ATOM 0 HA ILE A 202 0.199 -0.749 5.955 1.00 0.00 H new ATOM 0 HB ILE A 202 1.651 0.082 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.857 -2.156 9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.011 -2.619 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.200 0.167 9.480 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.764 0.462 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.039 -1.121 8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 202 3.154 -1.937 10.417 1.00 0.00 H new ATOM 0 HD12 ILE A 202 3.534 -0.815 9.089 1.00 0.00 H new ATOM 0 HD13 ILE A 202 2.363 -0.344 10.344 1.00 0.00 H new ATOM 813 N PHE A 203 2.654 -0.568 5.254 1.00 0.00 N ATOM 814 CA PHE A 203 3.950 -0.631 4.592 1.00 0.00 C ATOM 815 C PHE A 203 4.451 0.763 4.230 1.00 0.00 C ATOM 816 O PHE A 203 3.658 1.666 3.962 1.00 0.00 O ATOM 817 CB PHE A 203 3.851 -1.481 3.323 1.00 0.00 C ATOM 818 CG PHE A 203 3.021 -0.843 2.244 1.00 0.00 C ATOM 819 CD1 PHE A 203 3.541 0.176 1.462 1.00 0.00 C ATOM 820 CD2 PHE A 203 1.719 -1.257 2.018 1.00 0.00 C ATOM 821 CE1 PHE A 203 2.777 0.769 0.473 1.00 0.00 C ATOM 822 CE2 PHE A 203 0.952 -0.670 1.031 1.00 0.00 C ATOM 823 CZ PHE A 203 1.480 0.344 0.257 1.00 0.00 C ATOM 0 H PHE A 203 2.168 0.323 5.150 1.00 0.00 H new ATOM 0 HA PHE A 203 4.658 -1.086 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 203 4.854 -1.666 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.423 -2.451 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 203 4.554 0.511 1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 203 1.298 -2.048 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 203 3.193 1.563 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 203 -0.061 -1.004 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 203 0.881 0.804 -0.515 1.00 0.00 H new ATOM 833 N PRO A 204 5.780 0.957 4.196 1.00 0.00 N ATOM 834 CA PRO A 204 6.371 2.247 3.840 1.00 0.00 C ATOM 835 C PRO A 204 5.916 2.694 2.456 1.00 0.00 C ATOM 836 O PRO A 204 6.294 2.096 1.448 1.00 0.00 O ATOM 837 CB PRO A 204 7.880 1.972 3.848 1.00 0.00 C ATOM 838 CG PRO A 204 8.045 0.755 4.692 1.00 0.00 C ATOM 839 CD PRO A 204 6.803 -0.063 4.480 1.00 0.00 C ATOM 0 HA PRO A 204 6.079 3.044 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.256 1.806 2.839 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.433 2.816 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 204 8.935 0.196 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.163 1.021 5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.917 -0.762 3.652 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.552 -0.652 5.362 1.00 0.00 H new ATOM 847 N SER A 205 5.091 3.734 2.410 1.00 0.00 N ATOM 848 CA SER A 205 4.577 4.242 1.146 1.00 0.00 C ATOM 849 C SER A 205 5.709 4.607 0.189 1.00 0.00 C ATOM 850 O SER A 205 5.508 4.678 -1.022 1.00 0.00 O ATOM 851 CB SER A 205 3.673 5.447 1.385 1.00 0.00 C ATOM 852 OG SER A 205 4.182 6.270 2.422 1.00 0.00 O ATOM 0 H SER A 205 4.765 4.241 3.233 1.00 0.00 H new ATOM 0 HA SER A 205 3.992 3.448 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.585 6.027 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.670 5.107 1.645 1.00 0.00 H new ATOM 0 HG SER A 205 3.455 6.807 2.800 1.00 0.00 H new ATOM 858 N ASN A 206 6.901 4.824 0.734 1.00 0.00 N ATOM 859 CA ASN A 206 8.054 5.160 -0.088 1.00 0.00 C ATOM 860 C ASN A 206 8.362 4.031 -1.070 1.00 0.00 C ATOM 861 O ASN A 206 9.081 4.227 -2.051 1.00 0.00 O ATOM 862 CB ASN A 206 9.274 5.445 0.792 1.00 0.00 C ATOM 863 CG ASN A 206 9.756 4.221 1.533 1.00 0.00 C ATOM 864 OD1 ASN A 206 9.219 3.126 1.370 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.779 4.405 2.352 1.00 0.00 N ATOM 0 H ASN A 206 7.092 4.773 1.735 1.00 0.00 H new ATOM 0 HA ASN A 206 7.818 6.059 -0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 206 10.083 5.831 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 206 9.024 6.225 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.156 3.619 2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.191 5.333 2.453 1.00 0.00 H new ATOM 872 N TYR A 207 7.812 2.845 -0.799 1.00 0.00 N ATOM 873 CA TYR A 207 8.029 1.686 -1.659 1.00 0.00 C ATOM 874 C TYR A 207 6.926 1.562 -2.708 1.00 0.00 C ATOM 875 O TYR A 207 6.759 0.505 -3.317 1.00 0.00 O ATOM 876 CB TYR A 207 8.076 0.414 -0.814 1.00 0.00 C ATOM 877 CG TYR A 207 9.474 -0.127 -0.610 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.527 0.717 -0.278 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.741 -1.484 -0.750 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.805 0.226 -0.093 1.00 0.00 C ATOM 881 CE2 TYR A 207 11.018 -1.982 -0.566 1.00 0.00 C ATOM 882 CZ TYR A 207 12.045 -1.124 -0.238 1.00 0.00 C ATOM 883 OH TYR A 207 13.317 -1.617 -0.053 1.00 0.00 O ATOM 0 H TYR A 207 7.215 2.665 0.008 1.00 0.00 H new ATOM 0 HA TYR A 207 8.980 1.821 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.629 0.618 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.465 -0.352 -1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 207 10.343 1.775 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 207 8.939 -2.160 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.612 0.896 0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.209 -3.039 -0.679 1.00 0.00 H new ATOM 0 HH TYR A 207 13.315 -2.587 -0.191 1.00 0.00 H new ATOM 893 N VAL A 208 6.174 2.638 -2.917 1.00 0.00 N ATOM 894 CA VAL A 208 5.092 2.625 -3.892 1.00 0.00 C ATOM 895 C VAL A 208 4.887 4.008 -4.508 1.00 0.00 C ATOM 896 O VAL A 208 5.699 4.913 -4.314 1.00 0.00 O ATOM 897 CB VAL A 208 3.770 2.133 -3.258 1.00 0.00 C ATOM 898 CG1 VAL A 208 4.019 0.919 -2.376 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.099 3.231 -2.451 1.00 0.00 C ATOM 0 H VAL A 208 6.294 3.525 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 208 5.379 1.930 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 208 3.101 1.851 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 208 3.077 0.588 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.444 0.114 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.715 1.184 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.173 2.851 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.766 3.554 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 208 2.876 4.076 -3.102 1.00 0.00 H new ATOM 909 N ALA A 209 3.796 4.164 -5.252 1.00 0.00 N ATOM 910 CA ALA A 209 3.483 5.434 -5.895 1.00 0.00 C ATOM 911 C ALA A 209 2.002 5.508 -6.270 1.00 0.00 C ATOM 912 O ALA A 209 1.513 4.691 -7.047 1.00 0.00 O ATOM 913 CB ALA A 209 4.350 5.625 -7.131 1.00 0.00 C ATOM 0 H ALA A 209 3.114 3.425 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 209 3.694 6.235 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.107 6.577 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.401 5.621 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.164 4.814 -7.835 1.00 0.00 H new ATOM 919 N PRO A 210 1.266 6.492 -5.720 1.00 0.00 N ATOM 920 CA PRO A 210 -0.163 6.659 -6.005 1.00 0.00 C ATOM 921 C PRO A 210 -0.472 6.596 -7.498 1.00 0.00 C ATOM 922 O PRO A 210 0.119 7.324 -8.297 1.00 0.00 O ATOM 923 CB PRO A 210 -0.468 8.051 -5.452 1.00 0.00 C ATOM 924 CG PRO A 210 0.513 8.236 -4.347 1.00 0.00 C ATOM 925 CD PRO A 210 1.763 7.517 -4.778 1.00 0.00 C ATOM 0 HA PRO A 210 -0.764 5.865 -5.561 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.351 8.817 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.493 8.118 -5.088 1.00 0.00 H new ATOM 0 HG2 PRO A 210 0.711 9.294 -4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.130 7.827 -3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.470 8.194 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.279 7.066 -3.930 1.00 0.00 H new ATOM 933 N TYR A 211 -1.401 5.720 -7.866 1.00 0.00 N ATOM 934 CA TYR A 211 -1.791 5.558 -9.261 1.00 0.00 C ATOM 935 C TYR A 211 -3.103 6.283 -9.547 1.00 0.00 C ATOM 936 O TYR A 211 -3.125 7.297 -10.243 1.00 0.00 O ATOM 937 CB TYR A 211 -1.926 4.073 -9.601 1.00 0.00 C ATOM 938 CG TYR A 211 -2.270 3.809 -11.051 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.563 4.429 -12.075 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.298 2.942 -11.396 1.00 0.00 C ATOM 941 CE1 TYR A 211 -1.874 4.190 -13.399 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.614 2.698 -12.718 1.00 0.00 C ATOM 943 CZ TYR A 211 -2.898 3.326 -13.716 1.00 0.00 C ATOM 944 OH TYR A 211 -3.210 3.084 -15.036 1.00 0.00 O ATOM 0 H TYR A 211 -1.898 5.111 -7.216 1.00 0.00 H new ATOM 0 HA TYR A 211 -1.014 5.997 -9.886 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.990 3.568 -9.361 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.697 3.633 -8.968 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.759 5.107 -11.831 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.861 2.450 -10.617 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.316 4.679 -14.183 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.416 2.020 -12.969 1.00 0.00 H new ATOM 0 HH TYR A 211 -3.956 2.450 -15.085 1.00 0.00 H new ATOM 954 N ASN A 212 -4.197 5.752 -9.004 1.00 0.00 N ATOM 955 CA ASN A 212 -5.513 6.348 -9.198 1.00 0.00 C ATOM 956 C ASN A 212 -5.824 6.515 -10.683 1.00 0.00 C ATOM 957 O ASN A 212 -6.386 7.527 -11.102 1.00 0.00 O ATOM 958 CB ASN A 212 -5.588 7.699 -8.487 1.00 0.00 C ATOM 959 CG ASN A 212 -6.964 8.330 -8.580 1.00 0.00 C ATOM 960 OD1 ASN A 212 -7.894 7.741 -9.129 1.00 0.00 O ATOM 961 ND2 ASN A 212 -7.098 9.536 -8.042 1.00 0.00 N ATOM 0 H ASN A 212 -4.196 4.911 -8.427 1.00 0.00 H new ATOM 0 HA ASN A 212 -6.258 5.678 -8.769 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -5.322 7.569 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -4.852 8.375 -8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -8.000 10.011 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -6.299 9.987 -7.596 1.00 0.00 H new ATOM 968 N SER A 213 -5.452 5.513 -11.475 1.00 0.00 N ATOM 969 CA SER A 213 -5.689 5.541 -12.916 1.00 0.00 C ATOM 970 C SER A 213 -5.204 6.853 -13.528 1.00 0.00 C ATOM 971 O SER A 213 -6.003 7.737 -13.841 1.00 0.00 O ATOM 972 CB SER A 213 -7.176 5.342 -13.217 1.00 0.00 C ATOM 973 OG SER A 213 -7.984 6.059 -12.302 1.00 0.00 O ATOM 0 H SER A 213 -4.984 4.670 -11.143 1.00 0.00 H new ATOM 0 HA SER A 213 -5.123 4.724 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 213 -7.391 5.673 -14.233 1.00 0.00 H new ATOM 0 HB3 SER A 213 -7.421 4.281 -13.168 1.00 0.00 H new ATOM 0 HG SER A 213 -7.642 6.973 -12.210 1.00 0.00 H new ATOM 979 N ASN A 214 -3.893 6.972 -13.696 1.00 0.00 N ATOM 980 CA ASN A 214 -3.300 8.177 -14.270 1.00 0.00 C ATOM 981 C ASN A 214 -2.829 7.923 -15.699 1.00 0.00 C ATOM 982 O ASN A 214 -1.986 7.024 -15.892 1.00 0.00 O ATOM 983 CB ASN A 214 -2.129 8.656 -13.412 1.00 0.00 C ATOM 984 CG ASN A 214 -2.561 9.632 -12.335 1.00 0.00 C ATOM 985 OD1 ASN A 214 -2.261 9.448 -11.156 1.00 0.00 O ATOM 986 ND2 ASN A 214 -3.271 10.681 -12.740 1.00 0.00 N ATOM 987 OXT ASN A 214 -3.308 8.627 -16.612 1.00 0.00 O ATOM 0 H ASN A 214 -3.219 6.250 -13.443 1.00 0.00 H new ATOM 0 HA ASN A 214 -4.065 8.953 -14.290 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -1.648 7.796 -12.947 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -1.385 9.131 -14.051 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.590 11.373 -12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -3.497 10.793 -13.728 1.00 0.00 H new TER 994 ASN A 214