USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 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 173 MET CE :methyl 156:sc= -0.0249 (180deg=-0.443) USER MOD Single : A 174 ASN : amide:sc= -0.805 K(o=-0.81,f=-3.2!) USER MOD Single : A 176 HIS : no HE2:sc= -5.77! C(o=-5.8!,f=-12!) USER MOD Single : A 177 LYS NZ :NH3+ -139:sc= -0.0491 (180deg=-0.744) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 186 GLN : amide:sc= -0.267 K(o=-0.27,f=-0.93) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 155:sc= -0.045 (180deg=-0.52) USER MOD Single : A 202 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0366) USER MOD Single : A 203 CYS SG : rot 180:sc= 0 USER MOD Single : A 204 TYR OH : rot -142:sc= 0.223 USER MOD Single : A 214 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-1.1) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= 0 X(o=0,f=0.063) USER MOD Single : A 230 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.3) USER MOD Single : A 235 MET CE :methyl -109:sc= -0.59 (180deg=-7.34!) USER MOD Single : A 239 CYS SG : rot 86:sc= -0.0294 USER MOD Single : A 244 HIS : no HD1:sc= -2.22! K(o=-2.2!,f=-0.55) USER MOD Single : A 247 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 173 11.996 4.103 17.631 1.00 0.00 N ATOM 2 CA MET A 173 10.800 4.370 16.783 1.00 0.00 C ATOM 3 C MET A 173 11.215 5.296 15.640 1.00 0.00 C ATOM 4 O MET A 173 11.439 4.875 14.533 1.00 0.00 O ATOM 5 CB MET A 173 9.693 5.059 17.604 1.00 0.00 C ATOM 6 CG MET A 173 9.303 4.179 18.802 1.00 0.00 C ATOM 7 SD MET A 173 8.009 4.978 19.796 1.00 0.00 S ATOM 8 CE MET A 173 6.631 4.721 18.656 1.00 0.00 C ATOM 0 HA MET A 173 10.415 3.425 16.400 1.00 0.00 H new ATOM 0 HB2 MET A 173 10.040 6.031 17.954 1.00 0.00 H new ATOM 0 HB3 MET A 173 8.821 5.239 16.975 1.00 0.00 H new ATOM 0 HG2 MET A 173 8.950 3.211 18.448 1.00 0.00 H new ATOM 0 HG3 MET A 173 10.180 3.991 19.422 1.00 0.00 H new ATOM 0 HE1 MET A 173 5.692 4.739 19.210 1.00 0.00 H new ATOM 0 HE2 MET A 173 6.625 5.513 17.907 1.00 0.00 H new ATOM 0 HE3 MET A 173 6.743 3.756 18.162 1.00 0.00 H new ATOM 20 N ASN A 174 11.358 6.549 15.921 1.00 0.00 N ATOM 21 CA ASN A 174 11.765 7.539 14.877 1.00 0.00 C ATOM 22 C ASN A 174 13.132 7.137 14.320 1.00 0.00 C ATOM 23 O ASN A 174 13.522 7.512 13.228 1.00 0.00 O ATOM 24 CB ASN A 174 11.834 8.946 15.484 1.00 0.00 C ATOM 25 CG ASN A 174 11.966 8.850 17.000 1.00 0.00 C ATOM 26 OD1 ASN A 174 12.808 8.137 17.515 1.00 0.00 O ATOM 27 ND2 ASN A 174 11.158 9.543 17.737 1.00 0.00 N ATOM 0 H ASN A 174 11.209 6.948 16.848 1.00 0.00 H new ATOM 0 HA ASN A 174 11.030 7.547 14.072 1.00 0.00 H new ATOM 0 HB2 ASN A 174 12.683 9.489 15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 174 10.938 9.509 15.223 1.00 0.00 H new ATOM 0 HD21 ASN A 174 11.225 9.493 18.754 1.00 0.00 H new ATOM 0 HD22 ASN A 174 10.454 10.139 17.301 1.00 0.00 H new ATOM 34 N VAL A 175 13.914 6.506 15.131 1.00 0.00 N ATOM 35 CA VAL A 175 15.298 6.182 14.708 1.00 0.00 C ATOM 36 C VAL A 175 15.351 5.201 13.528 1.00 0.00 C ATOM 37 O VAL A 175 16.365 5.116 12.876 1.00 0.00 O ATOM 38 CB VAL A 175 16.081 5.577 15.879 1.00 0.00 C ATOM 39 CG1 VAL A 175 16.375 6.654 16.930 1.00 0.00 C ATOM 40 CG2 VAL A 175 15.267 4.445 16.504 1.00 0.00 C ATOM 0 H VAL A 175 13.660 6.198 16.070 1.00 0.00 H new ATOM 0 HA VAL A 175 15.745 7.122 14.385 1.00 0.00 H new ATOM 0 HB VAL A 175 17.028 5.181 15.511 1.00 0.00 H new ATOM 0 HG11 VAL A 175 16.931 6.213 17.757 1.00 0.00 H new ATOM 0 HG12 VAL A 175 16.966 7.451 16.479 1.00 0.00 H new ATOM 0 HG13 VAL A 175 15.437 7.065 17.302 1.00 0.00 H new ATOM 0 HG21 VAL A 175 15.823 4.014 17.337 1.00 0.00 H new ATOM 0 HG22 VAL A 175 14.317 4.837 16.866 1.00 0.00 H new ATOM 0 HG23 VAL A 175 15.080 3.675 15.755 1.00 0.00 H new ATOM 50 N HIS A 176 14.336 4.434 13.237 1.00 0.00 N ATOM 51 CA HIS A 176 14.504 3.473 12.080 1.00 0.00 C ATOM 52 C HIS A 176 14.777 4.262 10.773 1.00 0.00 C ATOM 53 O HIS A 176 14.191 5.309 10.521 1.00 0.00 O ATOM 54 CB HIS A 176 13.249 2.616 11.861 1.00 0.00 C ATOM 55 CG HIS A 176 12.042 3.447 12.119 1.00 0.00 C ATOM 56 ND1 HIS A 176 11.988 4.784 11.755 1.00 0.00 N ATOM 57 CD2 HIS A 176 10.829 3.150 12.679 1.00 0.00 C ATOM 58 CE1 HIS A 176 10.773 5.248 12.099 1.00 0.00 C ATOM 59 NE2 HIS A 176 10.025 4.290 12.664 1.00 0.00 N ATOM 0 H HIS A 176 13.435 4.418 13.715 1.00 0.00 H new ATOM 0 HA HIS A 176 15.342 2.821 12.326 1.00 0.00 H new ATOM 0 HB2 HIS A 176 13.230 2.231 10.841 1.00 0.00 H new ATOM 0 HB3 HIS A 176 13.261 1.754 12.527 1.00 0.00 H new ATOM 0 HD1 HIS A 176 12.733 5.318 11.308 1.00 0.00 H new ATOM 0 HD2 HIS A 176 10.540 2.186 13.070 1.00 0.00 H new ATOM 0 HE1 HIS A 176 10.442 6.264 11.940 1.00 0.00 H new ATOM 67 N LYS A 177 15.648 3.764 9.925 1.00 0.00 N ATOM 68 CA LYS A 177 15.926 4.505 8.651 1.00 0.00 C ATOM 69 C LYS A 177 14.650 4.658 7.800 1.00 0.00 C ATOM 70 O LYS A 177 13.829 3.765 7.697 1.00 0.00 O ATOM 71 CB LYS A 177 16.961 3.696 7.831 1.00 0.00 C ATOM 72 CG LYS A 177 17.720 2.722 8.735 1.00 0.00 C ATOM 73 CD LYS A 177 18.961 2.213 7.978 1.00 0.00 C ATOM 74 CE LYS A 177 19.679 1.175 8.825 1.00 0.00 C ATOM 75 NZ LYS A 177 20.094 1.825 10.099 1.00 0.00 N ATOM 0 H LYS A 177 16.168 2.896 10.055 1.00 0.00 H new ATOM 0 HA LYS A 177 16.299 5.498 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 177 16.455 3.146 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 177 17.663 4.376 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 177 18.018 3.218 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 177 17.078 1.886 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 177 18.665 1.778 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 177 19.631 3.044 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 177 19.023 0.328 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 177 20.549 0.786 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 21.051 1.508 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 20.092 2.858 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 19.429 1.564 10.855 1.00 0.00 H new ATOM 89 N SER A 178 14.526 5.774 7.135 1.00 0.00 N ATOM 90 CA SER A 178 13.348 6.026 6.231 1.00 0.00 C ATOM 91 C SER A 178 13.715 5.738 4.781 1.00 0.00 C ATOM 92 O SER A 178 12.921 5.935 3.884 1.00 0.00 O ATOM 93 CB SER A 178 12.905 7.477 6.384 1.00 0.00 C ATOM 94 OG SER A 178 12.171 7.572 7.588 1.00 0.00 O ATOM 0 H SER A 178 15.199 6.540 7.175 1.00 0.00 H new ATOM 0 HA SER A 178 12.531 5.362 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 178 13.769 8.141 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 178 12.292 7.782 5.536 1.00 0.00 H new ATOM 0 HG SER A 178 11.872 8.496 7.717 1.00 0.00 H new ATOM 100 N GLU A 179 14.918 5.327 4.540 1.00 0.00 N ATOM 101 CA GLU A 179 15.360 5.091 3.142 1.00 0.00 C ATOM 102 C GLU A 179 14.635 3.892 2.510 1.00 0.00 C ATOM 103 O GLU A 179 14.886 2.742 2.813 1.00 0.00 O ATOM 104 CB GLU A 179 16.872 4.850 3.153 1.00 0.00 C ATOM 105 CG GLU A 179 17.395 4.855 1.719 1.00 0.00 C ATOM 106 CD GLU A 179 18.887 4.507 1.709 1.00 0.00 C ATOM 107 OE1 GLU A 179 19.452 4.376 2.783 1.00 0.00 O ATOM 108 OE2 GLU A 179 19.441 4.383 0.626 1.00 0.00 O ATOM 0 H GLU A 179 15.623 5.142 5.254 1.00 0.00 H new ATOM 0 HA GLU A 179 15.115 5.965 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 179 17.371 5.624 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 179 17.096 3.896 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 179 16.840 4.135 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 179 17.238 5.835 1.268 1.00 0.00 H new ATOM 115 N PHE A 180 13.753 4.174 1.598 1.00 0.00 N ATOM 116 CA PHE A 180 13.012 3.092 0.887 1.00 0.00 C ATOM 117 C PHE A 180 12.703 3.557 -0.541 1.00 0.00 C ATOM 118 O PHE A 180 12.708 4.736 -0.842 1.00 0.00 O ATOM 119 CB PHE A 180 11.714 2.772 1.645 1.00 0.00 C ATOM 120 CG PHE A 180 12.066 2.120 2.968 1.00 0.00 C ATOM 121 CD1 PHE A 180 12.588 0.814 2.997 1.00 0.00 C ATOM 122 CD2 PHE A 180 11.860 2.817 4.170 1.00 0.00 C ATOM 123 CE1 PHE A 180 12.907 0.219 4.220 1.00 0.00 C ATOM 124 CE2 PHE A 180 12.178 2.210 5.391 1.00 0.00 C ATOM 125 CZ PHE A 180 12.702 0.915 5.414 1.00 0.00 C ATOM 0 H PHE A 180 13.508 5.121 1.308 1.00 0.00 H new ATOM 0 HA PHE A 180 13.618 2.187 0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 180 11.142 3.684 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 180 11.086 2.107 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 180 12.742 0.272 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 180 11.457 3.819 4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 180 13.313 -0.781 4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 180 12.018 2.744 6.316 1.00 0.00 H new ATOM 0 HZ PHE A 180 12.949 0.451 6.357 1.00 0.00 H new ATOM 135 N ASP A 181 12.437 2.649 -1.425 1.00 0.00 N ATOM 136 CA ASP A 181 12.120 3.057 -2.828 1.00 0.00 C ATOM 137 C ASP A 181 10.731 3.706 -2.851 1.00 0.00 C ATOM 138 O ASP A 181 9.742 3.071 -2.555 1.00 0.00 O ATOM 139 CB ASP A 181 12.095 1.814 -3.712 1.00 0.00 C ATOM 140 CG ASP A 181 13.517 1.295 -3.880 1.00 0.00 C ATOM 141 OD1 ASP A 181 14.202 1.772 -4.767 1.00 0.00 O ATOM 142 OD2 ASP A 181 13.899 0.435 -3.106 1.00 0.00 O ATOM 0 H ASP A 181 12.423 1.645 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 181 12.870 3.759 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.465 1.046 -3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.664 2.052 -4.684 1.00 0.00 H new ATOM 147 N GLU A 182 10.651 4.962 -3.210 1.00 0.00 N ATOM 148 CA GLU A 182 9.326 5.679 -3.277 1.00 0.00 C ATOM 149 C GLU A 182 8.389 4.989 -4.279 1.00 0.00 C ATOM 150 O GLU A 182 7.189 4.893 -4.070 1.00 0.00 O ATOM 151 CB GLU A 182 9.569 7.123 -3.725 1.00 0.00 C ATOM 152 CG GLU A 182 10.231 7.894 -2.581 1.00 0.00 C ATOM 153 CD GLU A 182 10.564 9.314 -3.035 1.00 0.00 C ATOM 154 OE1 GLU A 182 10.361 9.608 -4.204 1.00 0.00 O ATOM 155 OE2 GLU A 182 11.015 10.084 -2.204 1.00 0.00 O ATOM 0 H GLU A 182 11.455 5.535 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 182 8.859 5.659 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 182 10.206 7.141 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 182 8.626 7.595 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 182 9.565 7.925 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 182 11.139 7.382 -2.264 1.00 0.00 H new ATOM 162 N ASP A 183 8.919 4.544 -5.387 1.00 0.00 N ATOM 163 CA ASP A 183 8.059 3.898 -6.410 1.00 0.00 C ATOM 164 C ASP A 183 7.371 2.661 -5.830 1.00 0.00 C ATOM 165 O ASP A 183 6.216 2.390 -6.107 1.00 0.00 O ATOM 166 CB ASP A 183 8.915 3.488 -7.612 1.00 0.00 C ATOM 167 CG ASP A 183 9.306 4.740 -8.405 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.477 5.229 -9.159 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.426 5.188 -8.241 1.00 0.00 O ATOM 0 H ASP A 183 9.909 4.602 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 183 7.295 4.609 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.809 2.963 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.362 2.798 -8.249 1.00 0.00 H new ATOM 174 N ALA A 184 8.066 1.891 -5.045 1.00 0.00 N ATOM 175 CA ALA A 184 7.428 0.674 -4.487 1.00 0.00 C ATOM 176 C ALA A 184 6.371 1.064 -3.456 1.00 0.00 C ATOM 177 O ALA A 184 5.296 0.496 -3.414 1.00 0.00 O ATOM 178 CB ALA A 184 8.488 -0.199 -3.831 1.00 0.00 C ATOM 0 H ALA A 184 9.035 2.049 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 184 6.948 0.119 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.020 -1.094 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.232 -0.487 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.972 0.358 -3.029 1.00 0.00 H new ATOM 184 N TRP A 185 6.656 2.022 -2.619 1.00 0.00 N ATOM 185 CA TRP A 185 5.648 2.427 -1.599 1.00 0.00 C ATOM 186 C TRP A 185 4.379 2.905 -2.307 1.00 0.00 C ATOM 187 O TRP A 185 3.274 2.567 -1.926 1.00 0.00 O ATOM 188 CB TRP A 185 6.217 3.550 -0.725 1.00 0.00 C ATOM 189 CG TRP A 185 5.216 3.965 0.301 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.624 5.179 0.374 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.703 3.194 1.423 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.782 5.196 1.471 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.796 3.995 2.146 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.937 1.884 1.874 1.00 0.00 C ATOM 195 CZ2 TRP A 185 3.146 3.515 3.282 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.289 1.397 3.015 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.397 2.214 3.717 1.00 0.00 C ATOM 0 H TRP A 185 7.535 2.539 -2.596 1.00 0.00 H new ATOM 0 HA TRP A 185 5.408 1.575 -0.963 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.131 3.212 -0.236 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.486 4.404 -1.347 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.783 5.999 -0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.219 6.000 1.747 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.623 1.247 1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.454 4.145 3.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.478 0.389 3.354 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.901 1.836 4.599 1.00 0.00 H new ATOM 208 N GLN A 186 4.537 3.680 -3.343 1.00 0.00 N ATOM 209 CA GLN A 186 3.357 4.183 -4.099 1.00 0.00 C ATOM 210 C GLN A 186 2.557 3.004 -4.666 1.00 0.00 C ATOM 211 O GLN A 186 1.345 3.020 -4.681 1.00 0.00 O ATOM 212 CB GLN A 186 3.828 5.069 -5.253 1.00 0.00 C ATOM 213 CG GLN A 186 4.408 6.379 -4.719 1.00 0.00 C ATOM 214 CD GLN A 186 3.308 7.201 -4.055 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.201 7.271 -4.552 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.570 7.840 -2.948 1.00 0.00 N ATOM 0 H GLN A 186 5.441 3.989 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 186 2.724 4.760 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.581 4.543 -5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.993 5.280 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.201 6.170 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.857 6.947 -5.534 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.500 7.780 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.845 8.399 -2.498 1.00 0.00 H new ATOM 225 N PHE A 187 3.219 1.988 -5.152 1.00 0.00 N ATOM 226 CA PHE A 187 2.474 0.831 -5.734 1.00 0.00 C ATOM 227 C PHE A 187 1.520 0.278 -4.674 1.00 0.00 C ATOM 228 O PHE A 187 0.354 0.063 -4.933 1.00 0.00 O ATOM 229 CB PHE A 187 3.479 -0.262 -6.132 1.00 0.00 C ATOM 230 CG PHE A 187 2.833 -1.322 -7.006 1.00 0.00 C ATOM 231 CD1 PHE A 187 1.930 -2.237 -6.451 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.157 -1.403 -8.371 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.353 -3.227 -7.262 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.586 -2.390 -9.172 1.00 0.00 C ATOM 235 CZ PHE A 187 1.682 -3.303 -8.621 1.00 0.00 C ATOM 0 H PHE A 187 4.236 1.908 -5.172 1.00 0.00 H new ATOM 0 HA PHE A 187 1.911 1.149 -6.611 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.316 0.189 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 187 3.886 -0.728 -5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 187 1.678 -2.181 -5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 187 3.852 -0.697 -8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 187 0.654 -3.932 -6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 187 2.842 -2.450 -10.220 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.238 -4.066 -9.243 1.00 0.00 H new ATOM 245 N LEU A 188 2.014 0.048 -3.483 1.00 0.00 N ATOM 246 CA LEU A 188 1.152 -0.492 -2.383 1.00 0.00 C ATOM 247 C LEU A 188 -0.003 0.475 -2.073 1.00 0.00 C ATOM 248 O LEU A 188 -1.148 0.084 -1.981 1.00 0.00 O ATOM 249 CB LEU A 188 2.018 -0.671 -1.127 1.00 0.00 C ATOM 250 CG LEU A 188 1.181 -1.184 0.056 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.526 -2.534 -0.283 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.109 -1.362 1.269 1.00 0.00 C ATOM 0 H LEU A 188 2.986 0.212 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 188 0.728 -1.446 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 188 2.826 -1.372 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.482 0.280 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 188 0.393 -0.464 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -0.061 -2.878 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -0.126 -2.415 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.300 -3.267 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.531 -1.726 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 188 2.891 -2.082 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.564 -0.404 1.523 1.00 0.00 H new ATOM 264 N ILE A 189 0.294 1.732 -1.874 1.00 0.00 N ATOM 265 CA ILE A 189 -0.782 2.713 -1.534 1.00 0.00 C ATOM 266 C ILE A 189 -1.816 2.835 -2.659 1.00 0.00 C ATOM 267 O ILE A 189 -2.997 2.987 -2.409 1.00 0.00 O ATOM 268 CB ILE A 189 -0.143 4.088 -1.310 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.852 4.039 -0.131 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.228 5.133 -1.043 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.180 3.528 1.148 1.00 0.00 C ATOM 0 H ILE A 189 1.234 2.123 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.290 2.360 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 189 0.404 4.367 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.690 3.391 -0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.261 5.034 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.764 6.107 -0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.901 5.186 -1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.793 4.852 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.909 3.506 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.642 4.191 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.206 2.522 0.980 1.00 0.00 H new ATOM 283 N ALA A 190 -1.378 2.834 -3.883 1.00 0.00 N ATOM 284 CA ALA A 190 -2.330 3.011 -5.021 1.00 0.00 C ATOM 285 C ALA A 190 -3.354 1.873 -5.064 1.00 0.00 C ATOM 286 O ALA A 190 -4.523 2.095 -5.309 1.00 0.00 O ATOM 287 CB ALA A 190 -1.536 3.036 -6.329 1.00 0.00 C ATOM 0 H ALA A 190 -0.400 2.718 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.870 3.948 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.220 3.165 -7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.827 3.864 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.994 2.097 -6.444 1.00 0.00 H new ATOM 293 N ASP A 191 -2.929 0.665 -4.832 1.00 0.00 N ATOM 294 CA ASP A 191 -3.880 -0.489 -4.866 1.00 0.00 C ATOM 295 C ASP A 191 -4.828 -0.445 -3.666 1.00 0.00 C ATOM 296 O ASP A 191 -6.000 -0.734 -3.786 1.00 0.00 O ATOM 297 CB ASP A 191 -3.086 -1.799 -4.851 1.00 0.00 C ATOM 298 CG ASP A 191 -2.399 -1.996 -6.204 1.00 0.00 C ATOM 299 OD1 ASP A 191 -2.771 -1.308 -7.140 1.00 0.00 O ATOM 300 OD2 ASP A 191 -1.508 -2.826 -6.277 1.00 0.00 O ATOM 0 H ASP A 191 -1.962 0.421 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.476 -0.428 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -2.343 -1.777 -4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -3.751 -2.637 -4.644 1.00 0.00 H new ATOM 305 N TYR A 192 -4.333 -0.094 -2.512 1.00 0.00 N ATOM 306 CA TYR A 192 -5.210 -0.035 -1.300 1.00 0.00 C ATOM 307 C TYR A 192 -6.340 0.979 -1.500 1.00 0.00 C ATOM 308 O TYR A 192 -7.456 0.772 -1.063 1.00 0.00 O ATOM 309 CB TYR A 192 -4.380 0.365 -0.074 1.00 0.00 C ATOM 310 CG TYR A 192 -5.152 0.026 1.192 1.00 0.00 C ATOM 311 CD1 TYR A 192 -6.179 0.869 1.641 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.841 -1.139 1.916 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.887 0.552 2.808 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.550 -1.452 3.084 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.572 -0.605 3.531 1.00 0.00 C ATOM 316 OH TYR A 192 -7.267 -0.905 4.689 1.00 0.00 O ATOM 0 H TYR A 192 -3.357 0.156 -2.352 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.645 -1.022 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.424 -0.159 -0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -4.159 1.432 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -6.424 1.763 1.087 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -4.054 -1.794 1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.678 1.202 3.151 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -5.308 -2.346 3.639 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.926 -1.742 5.068 1.00 0.00 H new ATOM 326 N LEU A 193 -6.055 2.086 -2.126 1.00 0.00 N ATOM 327 CA LEU A 193 -7.104 3.126 -2.321 1.00 0.00 C ATOM 328 C LEU A 193 -7.998 2.778 -3.505 1.00 0.00 C ATOM 329 O LEU A 193 -9.064 3.333 -3.657 1.00 0.00 O ATOM 330 CB LEU A 193 -6.436 4.474 -2.603 1.00 0.00 C ATOM 331 CG LEU A 193 -5.547 4.868 -1.426 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.785 6.141 -1.793 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.409 5.121 -0.177 1.00 0.00 C ATOM 0 H LEU A 193 -5.139 2.316 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.708 3.176 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.842 4.412 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.195 5.239 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.845 4.063 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.145 6.435 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.172 5.956 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.494 6.941 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.767 5.401 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.114 5.927 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.958 4.214 0.076 1.00 0.00 H new ATOM 345 N ARG A 194 -7.580 1.887 -4.358 1.00 0.00 N ATOM 346 CA ARG A 194 -8.435 1.556 -5.533 1.00 0.00 C ATOM 347 C ARG A 194 -9.582 0.628 -5.085 1.00 0.00 C ATOM 348 O ARG A 194 -9.434 -0.137 -4.151 1.00 0.00 O ATOM 349 CB ARG A 194 -7.587 0.866 -6.619 1.00 0.00 C ATOM 350 CG ARG A 194 -6.750 1.908 -7.397 1.00 0.00 C ATOM 351 CD ARG A 194 -7.614 2.625 -8.451 1.00 0.00 C ATOM 352 NE ARG A 194 -6.734 3.232 -9.505 1.00 0.00 N ATOM 353 CZ ARG A 194 -5.765 4.061 -9.200 1.00 0.00 C ATOM 354 NH1 ARG A 194 -5.656 4.525 -7.986 1.00 0.00 N ATOM 355 NH2 ARG A 194 -4.932 4.473 -10.128 1.00 0.00 N ATOM 0 H ARG A 194 -6.697 1.380 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.856 2.472 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -6.927 0.130 -6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.237 0.326 -7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -6.334 2.638 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.908 1.415 -7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.308 1.919 -8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -8.215 3.400 -7.975 1.00 0.00 H new ATOM 0 HE ARG A 194 -6.894 2.993 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -6.326 4.243 -7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -4.901 5.170 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -5.038 4.148 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -4.179 5.118 -9.888 1.00 0.00 H new ATOM 369 N PRO A 195 -10.718 0.687 -5.743 1.00 0.00 N ATOM 370 CA PRO A 195 -11.884 -0.176 -5.397 1.00 0.00 C ATOM 371 C PRO A 195 -11.627 -1.633 -5.802 1.00 0.00 C ATOM 372 O PRO A 195 -12.528 -2.451 -5.860 1.00 0.00 O ATOM 373 CB PRO A 195 -13.033 0.436 -6.208 1.00 0.00 C ATOM 374 CG PRO A 195 -12.375 1.065 -7.388 1.00 0.00 C ATOM 375 CD PRO A 195 -11.024 1.574 -6.884 1.00 0.00 C ATOM 0 HA PRO A 195 -12.093 -0.205 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.750 -0.326 -6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.582 1.173 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.246 0.344 -8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.978 1.882 -7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.258 1.510 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -11.079 2.618 -6.576 1.00 0.00 H new ATOM 383 N GLU A 196 -10.394 -1.949 -6.094 1.00 0.00 N ATOM 384 CA GLU A 196 -10.047 -3.335 -6.502 1.00 0.00 C ATOM 385 C GLU A 196 -10.210 -4.258 -5.287 1.00 0.00 C ATOM 386 O GLU A 196 -10.476 -5.436 -5.416 1.00 0.00 O ATOM 387 CB GLU A 196 -8.601 -3.372 -7.016 1.00 0.00 C ATOM 388 CG GLU A 196 -8.270 -4.793 -7.473 1.00 0.00 C ATOM 389 CD GLU A 196 -6.887 -4.809 -8.129 1.00 0.00 C ATOM 390 OE1 GLU A 196 -6.765 -4.298 -9.235 1.00 0.00 O ATOM 391 OE2 GLU A 196 -5.972 -5.325 -7.510 1.00 0.00 O ATOM 0 H GLU A 196 -9.608 -1.299 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 196 -10.706 -3.671 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -8.478 -2.673 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.914 -3.060 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.288 -5.474 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.023 -5.144 -8.178 1.00 0.00 H new ATOM 398 N LYS A 197 -10.041 -3.720 -4.105 1.00 0.00 N ATOM 399 CA LYS A 197 -10.181 -4.547 -2.869 1.00 0.00 C ATOM 400 C LYS A 197 -9.055 -5.590 -2.843 1.00 0.00 C ATOM 401 O LYS A 197 -9.297 -6.776 -2.934 1.00 0.00 O ATOM 402 CB LYS A 197 -11.558 -5.252 -2.840 1.00 0.00 C ATOM 403 CG LYS A 197 -12.666 -4.292 -3.310 1.00 0.00 C ATOM 404 CD LYS A 197 -14.048 -4.806 -2.873 1.00 0.00 C ATOM 405 CE LYS A 197 -15.142 -4.029 -3.622 1.00 0.00 C ATOM 406 NZ LYS A 197 -15.132 -4.437 -5.049 1.00 0.00 N ATOM 0 H LYS A 197 -9.811 -2.739 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 197 -10.112 -3.903 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -11.536 -6.133 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.774 -5.599 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -12.494 -3.299 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -12.634 -4.195 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -14.135 -5.872 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -14.171 -4.682 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -16.117 -4.231 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -14.968 -2.956 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.072 -4.275 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -14.425 -3.876 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -14.892 -5.446 -5.120 1.00 0.00 H new ATOM 420 N PRO A 198 -7.824 -5.139 -2.730 1.00 0.00 N ATOM 421 CA PRO A 198 -6.631 -6.030 -2.694 1.00 0.00 C ATOM 422 C PRO A 198 -6.400 -6.592 -1.293 1.00 0.00 C ATOM 423 O PRO A 198 -6.407 -5.868 -0.313 1.00 0.00 O ATOM 424 CB PRO A 198 -5.478 -5.094 -3.081 1.00 0.00 C ATOM 425 CG PRO A 198 -5.896 -3.761 -2.540 1.00 0.00 C ATOM 426 CD PRO A 198 -7.433 -3.723 -2.621 1.00 0.00 C ATOM 0 HA PRO A 198 -6.735 -6.893 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -4.534 -5.423 -2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -5.337 -5.060 -4.161 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.558 -3.636 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.456 -2.950 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -7.867 -3.257 -1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.772 -3.149 -3.483 1.00 0.00 H new ATOM 434 N ALA A 199 -6.170 -7.865 -1.191 1.00 0.00 N ATOM 435 CA ALA A 199 -5.916 -8.454 0.145 1.00 0.00 C ATOM 436 C ALA A 199 -4.543 -7.988 0.617 1.00 0.00 C ATOM 437 O ALA A 199 -3.551 -8.170 -0.060 1.00 0.00 O ATOM 438 CB ALA A 199 -5.936 -9.972 0.044 1.00 0.00 C ATOM 0 H ALA A 199 -6.147 -8.521 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.684 -8.138 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.749 -10.405 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.911 -10.300 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.162 -10.301 -0.650 1.00 0.00 H new ATOM 444 N PHE A 200 -4.481 -7.365 1.758 1.00 0.00 N ATOM 445 CA PHE A 200 -3.172 -6.865 2.265 1.00 0.00 C ATOM 446 C PHE A 200 -2.189 -8.025 2.445 1.00 0.00 C ATOM 447 O PHE A 200 -1.019 -7.915 2.128 1.00 0.00 O ATOM 448 CB PHE A 200 -3.367 -6.190 3.615 1.00 0.00 C ATOM 449 CG PHE A 200 -2.028 -5.689 4.101 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.356 -4.689 3.385 1.00 0.00 C ATOM 451 CD2 PHE A 200 -1.453 -6.224 5.257 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.115 -4.226 3.829 1.00 0.00 C ATOM 453 CE2 PHE A 200 -0.209 -5.760 5.702 1.00 0.00 C ATOM 454 CZ PHE A 200 0.462 -4.762 4.989 1.00 0.00 C ATOM 0 H PHE A 200 -5.280 -7.179 2.364 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.774 -6.156 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -4.071 -5.363 3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.791 -6.893 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.798 -4.276 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.969 -6.996 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.401 -3.454 3.278 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.232 -6.173 6.597 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.422 -4.405 5.331 1.00 0.00 H new ATOM 464 N ARG A 201 -2.646 -9.124 2.986 1.00 0.00 N ATOM 465 CA ARG A 201 -1.724 -10.272 3.215 1.00 0.00 C ATOM 466 C ARG A 201 -1.158 -10.791 1.888 1.00 0.00 C ATOM 467 O ARG A 201 0.034 -10.971 1.750 1.00 0.00 O ATOM 468 CB ARG A 201 -2.475 -11.419 3.912 1.00 0.00 C ATOM 469 CG ARG A 201 -2.857 -11.031 5.370 1.00 0.00 C ATOM 470 CD ARG A 201 -2.179 -11.988 6.368 1.00 0.00 C ATOM 471 NE ARG A 201 -0.720 -11.716 6.352 1.00 0.00 N ATOM 472 CZ ARG A 201 0.065 -12.253 7.245 1.00 0.00 C ATOM 473 NH1 ARG A 201 -0.436 -13.034 8.161 1.00 0.00 N ATOM 474 NH2 ARG A 201 1.351 -12.017 7.209 1.00 0.00 N ATOM 0 H ARG A 201 -3.612 -9.275 3.277 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.905 -9.923 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -3.376 -11.664 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.852 -12.314 3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -2.551 -10.005 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -3.939 -11.071 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -2.582 -11.841 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -2.376 -13.025 6.094 1.00 0.00 H new ATOM 0 HE ARG A 201 -0.328 -11.104 5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -1.438 -13.223 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 201 0.174 -13.456 8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 201 1.739 -11.414 6.484 1.00 0.00 H new ATOM 0 HH22 ARG A 201 1.966 -12.436 7.906 1.00 0.00 H new ATOM 488 N LYS A 202 -1.997 -11.044 0.917 1.00 0.00 N ATOM 489 CA LYS A 202 -1.487 -11.564 -0.387 1.00 0.00 C ATOM 490 C LYS A 202 -0.920 -10.420 -1.229 1.00 0.00 C ATOM 491 O LYS A 202 -0.008 -10.607 -2.010 1.00 0.00 O ATOM 492 CB LYS A 202 -2.627 -12.238 -1.146 1.00 0.00 C ATOM 493 CG LYS A 202 -3.048 -13.497 -0.392 1.00 0.00 C ATOM 494 CD LYS A 202 -4.202 -14.169 -1.139 1.00 0.00 C ATOM 495 CE LYS A 202 -4.639 -15.449 -0.410 1.00 0.00 C ATOM 496 NZ LYS A 202 -5.407 -15.094 0.812 1.00 0.00 N ATOM 0 H LYS A 202 -3.007 -10.914 0.970 1.00 0.00 H new ATOM 0 HA LYS A 202 -0.694 -12.287 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.472 -11.556 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -2.308 -12.493 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -2.205 -14.183 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -3.355 -13.242 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -5.044 -13.481 -1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -3.894 -14.410 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -5.251 -16.064 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -3.765 -16.042 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -5.787 -15.959 1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -4.780 -14.613 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -6.192 -14.461 0.557 1.00 0.00 H new ATOM 510 N CYS A 203 -1.471 -9.243 -1.098 1.00 0.00 N ATOM 511 CA CYS A 203 -0.979 -8.099 -1.908 1.00 0.00 C ATOM 512 C CYS A 203 0.499 -7.842 -1.601 1.00 0.00 C ATOM 513 O CYS A 203 1.293 -7.609 -2.489 1.00 0.00 O ATOM 514 CB CYS A 203 -1.794 -6.838 -1.585 1.00 0.00 C ATOM 515 SG CYS A 203 -1.026 -5.416 -2.398 1.00 0.00 S ATOM 0 H CYS A 203 -2.241 -9.027 -0.464 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.093 -8.341 -2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -2.822 -6.957 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.832 -6.680 -0.507 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.710 -4.343 -2.132 1.00 0.00 H new ATOM 521 N TYR A 204 0.888 -7.888 -0.355 1.00 0.00 N ATOM 522 CA TYR A 204 2.319 -7.641 -0.029 1.00 0.00 C ATOM 523 C TYR A 204 3.178 -8.688 -0.747 1.00 0.00 C ATOM 524 O TYR A 204 4.185 -8.372 -1.342 1.00 0.00 O ATOM 525 CB TYR A 204 2.542 -7.754 1.482 1.00 0.00 C ATOM 526 CG TYR A 204 3.910 -7.224 1.836 1.00 0.00 C ATOM 527 CD1 TYR A 204 5.037 -8.025 1.651 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.049 -5.927 2.346 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.307 -7.534 1.980 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.313 -5.431 2.674 1.00 0.00 C ATOM 531 CZ TYR A 204 6.448 -6.234 2.495 1.00 0.00 C ATOM 532 OH TYR A 204 7.699 -5.750 2.827 1.00 0.00 O ATOM 0 H TYR A 204 0.283 -8.084 0.442 1.00 0.00 H new ATOM 0 HA TYR A 204 2.597 -6.638 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.775 -7.193 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.452 -8.794 1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.930 -9.024 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.175 -5.308 2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.179 -8.155 1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.416 -4.430 3.065 1.00 0.00 H new ATOM 0 HH TYR A 204 7.635 -5.211 3.643 1.00 0.00 H new ATOM 542 N GLU A 205 2.782 -9.934 -0.698 1.00 0.00 N ATOM 543 CA GLU A 205 3.570 -11.001 -1.381 1.00 0.00 C ATOM 544 C GLU A 205 3.632 -10.692 -2.874 1.00 0.00 C ATOM 545 O GLU A 205 4.665 -10.810 -3.500 1.00 0.00 O ATOM 546 CB GLU A 205 2.883 -12.358 -1.166 1.00 0.00 C ATOM 547 CG GLU A 205 2.983 -12.758 0.310 1.00 0.00 C ATOM 548 CD GLU A 205 4.422 -13.158 0.626 1.00 0.00 C ATOM 549 OE1 GLU A 205 5.011 -13.836 -0.195 1.00 0.00 O ATOM 550 OE2 GLU A 205 4.911 -12.779 1.678 1.00 0.00 O ATOM 0 H GLU A 205 1.945 -10.258 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 205 4.579 -11.038 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.837 -12.299 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.352 -13.117 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 205 2.676 -11.927 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.308 -13.587 0.521 1.00 0.00 H new ATOM 557 N ARG A 206 2.540 -10.267 -3.447 1.00 0.00 N ATOM 558 CA ARG A 206 2.553 -9.923 -4.893 1.00 0.00 C ATOM 559 C ARG A 206 3.533 -8.762 -5.100 1.00 0.00 C ATOM 560 O ARG A 206 4.287 -8.724 -6.059 1.00 0.00 O ATOM 561 CB ARG A 206 1.138 -9.493 -5.317 1.00 0.00 C ATOM 562 CG ARG A 206 1.064 -9.258 -6.835 1.00 0.00 C ATOM 563 CD ARG A 206 0.926 -10.601 -7.578 1.00 0.00 C ATOM 564 NE ARG A 206 0.614 -10.359 -9.028 1.00 0.00 N ATOM 565 CZ ARG A 206 0.726 -11.329 -9.899 1.00 0.00 C ATOM 566 NH1 ARG A 206 1.137 -12.505 -9.531 1.00 0.00 N ATOM 567 NH2 ARG A 206 0.432 -11.113 -11.149 1.00 0.00 N ATOM 0 H ARG A 206 1.643 -10.144 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 206 2.861 -10.780 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.419 -10.260 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 206 0.858 -8.581 -4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.215 -8.616 -7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 206 1.960 -8.738 -7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 206 1.850 -11.172 -7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 206 0.136 -11.198 -7.123 1.00 0.00 H new ATOM 0 HE ARG A 206 0.313 -9.434 -9.335 1.00 0.00 H new ATOM 0 HH11 ARG A 206 1.376 -12.679 -8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 206 1.221 -13.254 -10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 206 0.116 -10.190 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 206 0.518 -11.867 -11.831 1.00 0.00 H new ATOM 581 N LEU A 207 3.527 -7.819 -4.191 1.00 0.00 N ATOM 582 CA LEU A 207 4.449 -6.655 -4.310 1.00 0.00 C ATOM 583 C LEU A 207 5.884 -7.176 -4.299 1.00 0.00 C ATOM 584 O LEU A 207 6.735 -6.695 -5.023 1.00 0.00 O ATOM 585 CB LEU A 207 4.239 -5.701 -3.133 1.00 0.00 C ATOM 586 CG LEU A 207 5.165 -4.474 -3.250 1.00 0.00 C ATOM 587 CD1 LEU A 207 4.736 -3.578 -4.423 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.104 -3.679 -1.943 1.00 0.00 C ATOM 0 H LEU A 207 2.921 -7.808 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 207 4.250 -6.116 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.199 -5.376 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.436 -6.223 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 207 6.184 -4.813 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.403 -2.718 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 207 4.786 -4.146 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 207 3.714 -3.233 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 207 5.756 -2.809 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.080 -3.351 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.433 -4.310 -1.117 1.00 0.00 H new ATOM 600 N GLU A 208 6.169 -8.156 -3.472 1.00 0.00 N ATOM 601 CA GLU A 208 7.555 -8.672 -3.422 1.00 0.00 C ATOM 602 C GLU A 208 7.942 -9.124 -4.828 1.00 0.00 C ATOM 603 O GLU A 208 9.043 -8.880 -5.284 1.00 0.00 O ATOM 604 CB GLU A 208 7.639 -9.874 -2.464 1.00 0.00 C ATOM 605 CG GLU A 208 7.441 -9.414 -1.017 1.00 0.00 C ATOM 606 CD GLU A 208 7.474 -10.625 -0.075 1.00 0.00 C ATOM 607 OE1 GLU A 208 7.343 -11.739 -0.553 1.00 0.00 O ATOM 608 OE2 GLU A 208 7.625 -10.414 1.112 1.00 0.00 O ATOM 0 H GLU A 208 5.506 -8.608 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 208 8.228 -7.892 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.879 -10.610 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.607 -10.364 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.223 -8.706 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.489 -8.892 -0.919 1.00 0.00 H new ATOM 615 N LEU A 209 7.048 -9.758 -5.542 1.00 0.00 N ATOM 616 CA LEU A 209 7.408 -10.179 -6.919 1.00 0.00 C ATOM 617 C LEU A 209 7.751 -8.927 -7.714 1.00 0.00 C ATOM 618 O LEU A 209 8.721 -8.897 -8.445 1.00 0.00 O ATOM 619 CB LEU A 209 6.227 -10.913 -7.572 1.00 0.00 C ATOM 620 CG LEU A 209 6.578 -11.370 -9.024 1.00 0.00 C ATOM 621 CD1 LEU A 209 5.939 -12.742 -9.311 1.00 0.00 C ATOM 622 CD2 LEU A 209 6.044 -10.359 -10.053 1.00 0.00 C ATOM 0 H LEU A 209 6.105 -9.996 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 209 8.259 -10.859 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.957 -11.781 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 209 5.356 -10.258 -7.595 1.00 0.00 H new ATOM 0 HG LEU A 209 7.663 -11.435 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 209 6.188 -13.054 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 209 6.320 -13.476 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 209 4.856 -12.667 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 209 6.298 -10.694 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 209 4.961 -10.282 -9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 209 6.494 -9.383 -9.872 1.00 0.00 H new ATOM 634 N ALA A 210 6.967 -7.886 -7.565 1.00 0.00 N ATOM 635 CA ALA A 210 7.247 -6.631 -8.305 1.00 0.00 C ATOM 636 C ALA A 210 8.609 -6.105 -7.868 1.00 0.00 C ATOM 637 O ALA A 210 9.393 -5.652 -8.676 1.00 0.00 O ATOM 638 CB ALA A 210 6.160 -5.590 -7.990 1.00 0.00 C ATOM 0 H ALA A 210 6.146 -7.859 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 210 7.249 -6.822 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.369 -4.670 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.187 -5.977 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.153 -5.384 -6.920 1.00 0.00 H new ATOM 644 N ALA A 211 8.901 -6.171 -6.592 1.00 0.00 N ATOM 645 CA ALA A 211 10.215 -5.686 -6.100 1.00 0.00 C ATOM 646 C ALA A 211 11.337 -6.474 -6.775 1.00 0.00 C ATOM 647 O ALA A 211 12.360 -5.929 -7.131 1.00 0.00 O ATOM 648 CB ALA A 211 10.306 -5.844 -4.576 1.00 0.00 C ATOM 0 H ALA A 211 8.280 -6.542 -5.873 1.00 0.00 H new ATOM 0 HA ALA A 211 10.317 -4.629 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.275 -5.484 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.514 -5.265 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.194 -6.896 -4.312 1.00 0.00 H new ATOM 654 N ARG A 212 11.156 -7.753 -6.959 1.00 0.00 N ATOM 655 CA ARG A 212 12.221 -8.560 -7.623 1.00 0.00 C ATOM 656 C ARG A 212 12.422 -8.015 -9.039 1.00 0.00 C ATOM 657 O ARG A 212 13.527 -7.923 -9.532 1.00 0.00 O ATOM 658 CB ARG A 212 11.768 -10.024 -7.717 1.00 0.00 C ATOM 659 CG ARG A 212 12.926 -10.909 -8.224 1.00 0.00 C ATOM 660 CD ARG A 212 13.814 -11.348 -7.048 1.00 0.00 C ATOM 661 NE ARG A 212 15.237 -11.382 -7.502 1.00 0.00 N ATOM 662 CZ ARG A 212 15.580 -12.011 -8.594 1.00 0.00 C ATOM 663 NH1 ARG A 212 14.718 -12.773 -9.210 1.00 0.00 N ATOM 664 NH2 ARG A 212 16.802 -11.909 -9.044 1.00 0.00 N ATOM 0 H ARG A 212 10.323 -8.272 -6.681 1.00 0.00 H new ATOM 0 HA ARG A 212 13.147 -8.500 -7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.435 -10.373 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 212 10.916 -10.106 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 212 12.527 -11.785 -8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 212 13.521 -10.359 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 212 13.701 -10.657 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 212 13.508 -12.332 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 212 15.952 -10.907 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 212 13.774 -12.878 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 212 14.988 -13.263 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 212 17.484 -11.340 -8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 212 17.074 -12.399 -9.896 1.00 0.00 H new ATOM 678 N GLU A 213 11.355 -7.663 -9.704 1.00 0.00 N ATOM 679 CA GLU A 213 11.486 -7.141 -11.089 1.00 0.00 C ATOM 680 C GLU A 213 12.138 -5.752 -11.078 1.00 0.00 C ATOM 681 O GLU A 213 12.945 -5.442 -11.926 1.00 0.00 O ATOM 682 CB GLU A 213 10.101 -7.040 -11.723 1.00 0.00 C ATOM 683 CG GLU A 213 9.548 -8.441 -11.971 1.00 0.00 C ATOM 684 CD GLU A 213 8.166 -8.318 -12.609 1.00 0.00 C ATOM 685 OE1 GLU A 213 7.383 -7.520 -12.122 1.00 0.00 O ATOM 686 OE2 GLU A 213 7.916 -9.012 -13.580 1.00 0.00 O ATOM 0 H GLU A 213 10.401 -7.715 -9.347 1.00 0.00 H new ATOM 0 HA GLU A 213 12.113 -7.822 -11.665 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.430 -6.484 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 213 10.159 -6.489 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.217 -9.001 -12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 213 9.483 -8.993 -11.033 1.00 0.00 H new ATOM 693 N HIS A 214 11.788 -4.903 -10.136 1.00 0.00 N ATOM 694 CA HIS A 214 12.393 -3.526 -10.109 1.00 0.00 C ATOM 695 C HIS A 214 13.564 -3.469 -9.136 1.00 0.00 C ATOM 696 O HIS A 214 14.247 -2.468 -9.042 1.00 0.00 O ATOM 697 CB HIS A 214 11.341 -2.510 -9.667 1.00 0.00 C ATOM 698 CG HIS A 214 10.330 -2.331 -10.761 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.589 -1.564 -11.890 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.057 -2.826 -10.925 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.492 -1.622 -12.671 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.534 -2.375 -12.129 1.00 0.00 N ATOM 0 H HIS A 214 11.118 -5.099 -9.393 1.00 0.00 H new ATOM 0 HA HIS A 214 12.748 -3.291 -11.112 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.850 -2.851 -8.756 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.815 -1.556 -9.436 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.543 -3.467 -10.224 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.400 -1.119 -13.622 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.612 -2.577 -12.517 1.00 0.00 H new ATOM 710 N GLY A 215 13.792 -4.523 -8.406 1.00 0.00 N ATOM 711 CA GLY A 215 14.916 -4.531 -7.425 1.00 0.00 C ATOM 712 C GLY A 215 14.604 -3.582 -6.259 1.00 0.00 C ATOM 713 O GLY A 215 15.494 -3.061 -5.617 1.00 0.00 O ATOM 0 H GLY A 215 13.247 -5.384 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.074 -5.542 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.840 -4.225 -7.916 1.00 0.00 H new ATOM 717 N TRP A 216 13.356 -3.328 -6.001 1.00 0.00 N ATOM 718 CA TRP A 216 13.001 -2.384 -4.901 1.00 0.00 C ATOM 719 C TRP A 216 13.299 -2.978 -3.532 1.00 0.00 C ATOM 720 O TRP A 216 13.044 -4.133 -3.270 1.00 0.00 O ATOM 721 CB TRP A 216 11.507 -2.060 -4.935 1.00 0.00 C ATOM 722 CG TRP A 216 11.122 -1.265 -6.147 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.851 -0.292 -6.760 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.881 -1.370 -6.885 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.117 0.204 -7.830 1.00 0.00 N ATOM 726 CE2 TRP A 216 9.895 -0.431 -7.945 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.748 -2.190 -6.729 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.816 -0.306 -8.821 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.659 -2.064 -7.611 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.696 -1.123 -8.652 1.00 0.00 C ATOM 0 H TRP A 216 12.564 -3.731 -6.501 1.00 0.00 H new ATOM 0 HA TRP A 216 13.602 -1.488 -5.056 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.936 -2.988 -4.916 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.238 -1.503 -4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.835 0.039 -6.464 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.440 0.944 -8.453 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.714 -2.917 -5.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 8.847 0.417 -9.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.791 -2.694 -7.487 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.856 -1.031 -9.324 1.00 0.00 H new ATOM 741 N SER A 217 13.781 -2.154 -2.637 1.00 0.00 N ATOM 742 CA SER A 217 14.036 -2.616 -1.243 1.00 0.00 C ATOM 743 C SER A 217 12.766 -2.326 -0.461 1.00 0.00 C ATOM 744 O SER A 217 12.445 -1.182 -0.210 1.00 0.00 O ATOM 745 CB SER A 217 15.192 -1.835 -0.628 1.00 0.00 C ATOM 746 OG SER A 217 16.358 -2.042 -1.412 1.00 0.00 O ATOM 0 H SER A 217 14.009 -1.176 -2.815 1.00 0.00 H new ATOM 0 HA SER A 217 14.296 -3.674 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.949 -0.773 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.364 -2.162 0.397 1.00 0.00 H new ATOM 0 HG SER A 217 17.106 -1.542 -1.024 1.00 0.00 H new ATOM 752 N ILE A 218 12.020 -3.327 -0.100 1.00 0.00 N ATOM 753 CA ILE A 218 10.745 -3.068 0.634 1.00 0.00 C ATOM 754 C ILE A 218 11.001 -3.112 2.150 1.00 0.00 C ATOM 755 O ILE A 218 11.838 -3.863 2.608 1.00 0.00 O ATOM 756 CB ILE A 218 9.719 -4.141 0.238 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.084 -5.480 0.911 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.740 -4.300 -1.286 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.287 -6.629 0.288 1.00 0.00 C ATOM 0 H ILE A 218 12.231 -4.309 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 218 10.359 -2.082 0.375 1.00 0.00 H new ATOM 0 HB ILE A 218 8.722 -3.844 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.152 -5.669 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.878 -5.424 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 218 9.016 -5.059 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.482 -3.350 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.736 -4.604 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.558 -7.566 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.221 -6.446 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.514 -6.695 -0.776 1.00 0.00 H new ATOM 771 N PRO A 219 10.279 -2.333 2.929 1.00 0.00 N ATOM 772 CA PRO A 219 10.439 -2.315 4.413 1.00 0.00 C ATOM 773 C PRO A 219 9.803 -3.554 5.041 1.00 0.00 C ATOM 774 O PRO A 219 9.144 -4.322 4.372 1.00 0.00 O ATOM 775 CB PRO A 219 9.694 -1.043 4.837 1.00 0.00 C ATOM 776 CG PRO A 219 8.631 -0.868 3.801 1.00 0.00 C ATOM 777 CD PRO A 219 9.229 -1.392 2.490 1.00 0.00 C ATOM 0 HA PRO A 219 11.482 -2.321 4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 219 9.264 -1.148 5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 219 10.363 -0.183 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.731 -1.422 4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 219 8.345 0.180 3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.476 -1.890 1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.644 -0.583 1.889 1.00 0.00 H new ATOM 785 N SER A 220 9.992 -3.755 6.311 1.00 0.00 N ATOM 786 CA SER A 220 9.387 -4.944 6.969 1.00 0.00 C ATOM 787 C SER A 220 7.863 -4.853 6.878 1.00 0.00 C ATOM 788 O SER A 220 7.294 -3.784 6.949 1.00 0.00 O ATOM 789 CB SER A 220 9.813 -4.989 8.433 1.00 0.00 C ATOM 790 OG SER A 220 11.193 -5.315 8.517 1.00 0.00 O ATOM 0 H SER A 220 10.538 -3.149 6.923 1.00 0.00 H new ATOM 0 HA SER A 220 9.726 -5.851 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.627 -4.025 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.221 -5.728 8.972 1.00 0.00 H new ATOM 0 HG SER A 220 11.466 -5.342 9.458 1.00 0.00 H new ATOM 796 N ARG A 221 7.199 -5.959 6.698 1.00 0.00 N ATOM 797 CA ARG A 221 5.715 -5.921 6.573 1.00 0.00 C ATOM 798 C ARG A 221 5.115 -5.196 7.789 1.00 0.00 C ATOM 799 O ARG A 221 4.184 -4.415 7.664 1.00 0.00 O ATOM 800 CB ARG A 221 5.165 -7.357 6.526 1.00 0.00 C ATOM 801 CG ARG A 221 5.577 -8.044 5.222 1.00 0.00 C ATOM 802 CD ARG A 221 4.984 -9.455 5.197 1.00 0.00 C ATOM 803 NE ARG A 221 3.499 -9.356 5.181 1.00 0.00 N ATOM 804 CZ ARG A 221 2.775 -10.399 4.898 1.00 0.00 C ATOM 805 NH1 ARG A 221 3.341 -11.542 4.623 1.00 0.00 N ATOM 806 NH2 ARG A 221 1.480 -10.285 4.887 1.00 0.00 N ATOM 0 H ARG A 221 7.618 -6.887 6.632 1.00 0.00 H new ATOM 0 HA ARG A 221 5.446 -5.393 5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.540 -7.925 7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.078 -7.340 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.222 -7.471 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.663 -8.090 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 221 5.335 -9.995 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 221 5.314 -10.018 6.070 1.00 0.00 H new ATOM 0 HE ARG A 221 3.047 -8.466 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 221 4.358 -11.622 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 221 2.767 -12.355 4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 221 1.045 -9.387 5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 221 0.899 -11.094 4.667 1.00 0.00 H new ATOM 820 N ALA A 222 5.646 -5.444 8.964 1.00 0.00 N ATOM 821 CA ALA A 222 5.108 -4.777 10.179 1.00 0.00 C ATOM 822 C ALA A 222 5.237 -3.263 10.018 1.00 0.00 C ATOM 823 O ALA A 222 4.349 -2.518 10.370 1.00 0.00 O ATOM 824 CB ALA A 222 5.903 -5.214 11.414 1.00 0.00 C ATOM 0 H ALA A 222 6.427 -6.079 9.127 1.00 0.00 H new ATOM 0 HA ALA A 222 4.062 -5.056 10.305 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.501 -4.720 12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.824 -6.294 11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.950 -4.939 11.289 1.00 0.00 H new ATOM 830 N THR A 223 6.325 -2.797 9.476 1.00 0.00 N ATOM 831 CA THR A 223 6.480 -1.331 9.289 1.00 0.00 C ATOM 832 C THR A 223 5.433 -0.807 8.312 1.00 0.00 C ATOM 833 O THR A 223 4.905 0.272 8.482 1.00 0.00 O ATOM 834 CB THR A 223 7.867 -1.029 8.722 1.00 0.00 C ATOM 835 OG1 THR A 223 8.859 -1.470 9.640 1.00 0.00 O ATOM 836 CG2 THR A 223 8.009 0.476 8.483 1.00 0.00 C ATOM 0 H THR A 223 7.110 -3.365 9.156 1.00 0.00 H new ATOM 0 HA THR A 223 6.353 -0.845 10.256 1.00 0.00 H new ATOM 0 HB THR A 223 7.996 -1.553 7.775 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.749 -1.279 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 223 8.999 0.688 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.249 0.805 7.774 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.880 1.008 9.426 1.00 0.00 H new ATOM 844 N ALA A 224 5.155 -1.530 7.269 1.00 0.00 N ATOM 845 CA ALA A 224 4.176 -1.019 6.283 1.00 0.00 C ATOM 846 C ALA A 224 2.808 -0.840 6.950 1.00 0.00 C ATOM 847 O ALA A 224 2.227 0.220 6.906 1.00 0.00 O ATOM 848 CB ALA A 224 4.066 -1.993 5.111 1.00 0.00 C ATOM 0 H ALA A 224 5.559 -2.443 7.059 1.00 0.00 H new ATOM 0 HA ALA A 224 4.515 -0.052 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.344 -1.612 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.039 -2.097 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.736 -2.966 5.476 1.00 0.00 H new ATOM 854 N PHE A 225 2.292 -1.864 7.573 1.00 0.00 N ATOM 855 CA PHE A 225 0.951 -1.751 8.225 1.00 0.00 C ATOM 856 C PHE A 225 0.958 -0.660 9.300 1.00 0.00 C ATOM 857 O PHE A 225 0.014 0.098 9.424 1.00 0.00 O ATOM 858 CB PHE A 225 0.594 -3.090 8.876 1.00 0.00 C ATOM 859 CG PHE A 225 -0.770 -2.995 9.535 1.00 0.00 C ATOM 860 CD1 PHE A 225 -1.910 -2.725 8.759 1.00 0.00 C ATOM 861 CD2 PHE A 225 -0.901 -3.201 10.917 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.168 -2.663 9.363 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.164 -3.134 11.519 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.295 -2.866 10.740 1.00 0.00 C ATOM 0 H PHE A 225 2.740 -2.776 7.660 1.00 0.00 H new ATOM 0 HA PHE A 225 0.216 -1.489 7.464 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.591 -3.880 8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.348 -3.357 9.617 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.813 -2.565 7.695 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.028 -3.411 11.517 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.044 -2.458 8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.265 -3.289 12.583 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.269 -2.816 11.204 1.00 0.00 H new ATOM 874 N ARG A 226 2.007 -0.551 10.064 1.00 0.00 N ATOM 875 CA ARG A 226 2.043 0.508 11.112 1.00 0.00 C ATOM 876 C ARG A 226 1.912 1.878 10.444 1.00 0.00 C ATOM 877 O ARG A 226 1.228 2.754 10.921 1.00 0.00 O ATOM 878 CB ARG A 226 3.368 0.422 11.876 1.00 0.00 C ATOM 879 CG ARG A 226 3.347 -0.819 12.781 1.00 0.00 C ATOM 880 CD ARG A 226 4.709 -0.963 13.471 1.00 0.00 C ATOM 881 NE ARG A 226 4.703 -2.132 14.426 1.00 0.00 N ATOM 882 CZ ARG A 226 3.853 -2.217 15.415 1.00 0.00 C ATOM 883 NH1 ARG A 226 3.076 -1.216 15.709 1.00 0.00 N ATOM 884 NH2 ARG A 226 3.817 -3.302 16.143 1.00 0.00 N ATOM 0 H ARG A 226 2.836 -1.143 10.010 1.00 0.00 H new ATOM 0 HA ARG A 226 1.219 0.367 11.812 1.00 0.00 H new ATOM 0 HB2 ARG A 226 4.202 0.363 11.177 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.516 1.321 12.474 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.556 -0.727 13.526 1.00 0.00 H new ATOM 0 HG3 ARG A 226 3.128 -1.710 12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 226 5.489 -1.103 12.722 1.00 0.00 H new ATOM 0 HD3 ARG A 226 4.947 -0.047 14.011 1.00 0.00 H new ATOM 0 HE ARG A 226 5.384 -2.880 14.295 1.00 0.00 H new ATOM 0 HH11 ARG A 226 3.127 -0.354 15.166 1.00 0.00 H new ATOM 0 HH12 ARG A 226 2.416 -1.293 16.483 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.450 -4.075 15.938 1.00 0.00 H new ATOM 0 HH22 ARG A 226 3.156 -3.375 16.917 1.00 0.00 H new ATOM 898 N ARG A 227 2.555 2.066 9.339 1.00 0.00 N ATOM 899 CA ARG A 227 2.455 3.372 8.630 1.00 0.00 C ATOM 900 C ARG A 227 1.041 3.533 8.051 1.00 0.00 C ATOM 901 O ARG A 227 0.478 4.610 8.033 1.00 0.00 O ATOM 902 CB ARG A 227 3.477 3.412 7.490 1.00 0.00 C ATOM 903 CG ARG A 227 3.559 4.830 6.887 1.00 0.00 C ATOM 904 CD ARG A 227 4.559 5.695 7.673 1.00 0.00 C ATOM 905 NE ARG A 227 5.935 5.407 7.189 1.00 0.00 N ATOM 906 CZ ARG A 227 6.910 6.224 7.464 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.686 7.303 8.166 1.00 0.00 N ATOM 908 NH2 ARG A 227 8.107 5.955 7.030 1.00 0.00 N ATOM 0 H ARG A 227 3.151 1.372 8.888 1.00 0.00 H new ATOM 0 HA ARG A 227 2.657 4.182 9.331 1.00 0.00 H new ATOM 0 HB2 ARG A 227 4.457 3.111 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.196 2.697 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 227 3.864 4.770 5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 227 2.574 5.296 6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 227 4.327 6.752 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.483 5.483 8.739 1.00 0.00 H new ATOM 0 HE ARG A 227 6.115 4.567 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 227 5.744 7.507 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 227 7.453 7.941 8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 227 8.273 5.112 6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 227 8.879 6.588 7.239 1.00 0.00 H new ATOM 922 N ILE A 228 0.484 2.470 7.532 1.00 0.00 N ATOM 923 CA ILE A 228 -0.866 2.558 6.908 1.00 0.00 C ATOM 924 C ILE A 228 -1.930 2.929 7.950 1.00 0.00 C ATOM 925 O ILE A 228 -2.813 3.719 7.679 1.00 0.00 O ATOM 926 CB ILE A 228 -1.217 1.199 6.288 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.163 0.817 5.215 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.616 1.263 5.661 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.561 1.323 3.823 1.00 0.00 C ATOM 0 H ILE A 228 0.909 1.543 7.514 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.848 3.334 6.142 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.213 0.437 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.805 1.235 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.047 -0.266 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -2.862 0.296 5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.348 1.509 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.632 2.029 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 228 0.202 1.036 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.517 0.884 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.652 2.409 3.843 1.00 0.00 H new ATOM 941 N GLN A 229 -1.874 2.368 9.132 1.00 0.00 N ATOM 942 CA GLN A 229 -2.911 2.706 10.151 1.00 0.00 C ATOM 943 C GLN A 229 -2.714 4.142 10.640 1.00 0.00 C ATOM 944 O GLN A 229 -3.603 4.749 11.207 1.00 0.00 O ATOM 945 CB GLN A 229 -2.819 1.736 11.325 1.00 0.00 C ATOM 946 CG GLN A 229 -1.416 1.785 11.937 1.00 0.00 C ATOM 947 CD GLN A 229 -1.343 0.810 13.109 1.00 0.00 C ATOM 948 OE1 GLN A 229 -1.584 -0.369 12.946 1.00 0.00 O ATOM 949 NE2 GLN A 229 -1.015 1.252 14.294 1.00 0.00 N ATOM 0 H GLN A 229 -1.165 1.699 9.432 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.898 2.621 9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -3.563 1.993 12.079 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -3.043 0.724 10.989 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -0.670 1.525 11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -1.189 2.796 12.275 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -0.813 2.242 14.431 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -0.961 0.607 15.082 1.00 0.00 H new ATOM 958 N GLN A 230 -1.554 4.684 10.420 1.00 0.00 N ATOM 959 CA GLN A 230 -1.278 6.080 10.863 1.00 0.00 C ATOM 960 C GLN A 230 -1.882 7.059 9.858 1.00 0.00 C ATOM 961 O GLN A 230 -1.908 8.253 10.078 1.00 0.00 O ATOM 962 CB GLN A 230 0.230 6.300 10.937 1.00 0.00 C ATOM 963 CG GLN A 230 0.794 5.557 12.148 1.00 0.00 C ATOM 964 CD GLN A 230 0.366 6.275 13.424 1.00 0.00 C ATOM 965 OE1 GLN A 230 0.346 7.488 13.476 1.00 0.00 O ATOM 966 NE2 GLN A 230 0.020 5.565 14.462 1.00 0.00 N ATOM 0 H GLN A 230 -0.777 4.219 9.949 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.720 6.244 11.846 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.706 5.943 10.024 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.450 7.365 11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.434 4.528 12.158 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.882 5.514 12.089 1.00 0.00 H new ATOM 0 HE21 GLN A 230 0.039 4.546 14.412 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -0.269 6.028 15.323 1.00 0.00 H new ATOM 975 N LEU A 231 -2.363 6.562 8.749 1.00 0.00 N ATOM 976 CA LEU A 231 -2.956 7.473 7.727 1.00 0.00 C ATOM 977 C LEU A 231 -4.283 8.019 8.242 1.00 0.00 C ATOM 978 O LEU A 231 -4.357 9.140 8.694 1.00 0.00 O ATOM 979 CB LEU A 231 -3.205 6.711 6.416 1.00 0.00 C ATOM 980 CG LEU A 231 -1.880 6.264 5.790 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.188 5.380 4.578 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.049 7.481 5.340 1.00 0.00 C ATOM 0 H LEU A 231 -2.371 5.571 8.508 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.261 8.292 7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -3.834 5.842 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.747 7.348 5.717 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.302 5.711 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.255 5.053 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.760 4.509 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.769 5.948 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.113 7.139 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.611 8.052 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.834 8.114 6.201 1.00 0.00 H new ATOM 994 N ASP A 232 -5.333 7.238 8.179 1.00 0.00 N ATOM 995 CA ASP A 232 -6.659 7.729 8.666 1.00 0.00 C ATOM 996 C ASP A 232 -7.707 6.625 8.541 1.00 0.00 C ATOM 997 O ASP A 232 -7.711 5.864 7.597 1.00 0.00 O ATOM 998 CB ASP A 232 -7.089 8.951 7.820 1.00 0.00 C ATOM 999 CG ASP A 232 -6.717 10.255 8.543 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -6.919 10.312 9.744 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -6.245 11.171 7.885 1.00 0.00 O ATOM 0 H ASP A 232 -5.330 6.286 7.813 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.574 8.016 9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -6.603 8.916 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -8.164 8.919 7.642 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.612 6.566 9.481 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.692 5.547 9.427 1.00 0.00 C ATOM 1008 C GLU A 233 -10.519 5.797 8.171 1.00 0.00 C ATOM 1009 O GLU A 233 -11.030 4.877 7.565 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.575 5.691 10.664 1.00 0.00 C ATOM 1011 CG GLU A 233 -9.778 5.246 11.894 1.00 0.00 C ATOM 1012 CD GLU A 233 -10.633 5.414 13.149 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -11.429 4.532 13.431 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -10.476 6.430 13.805 1.00 0.00 O ATOM 0 H GLU A 233 -8.647 7.187 10.290 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.272 4.541 9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.899 6.726 10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.475 5.085 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -9.474 4.205 11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -8.866 5.836 11.982 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.654 7.044 7.778 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.447 7.370 6.558 1.00 0.00 C ATOM 1023 C ALA A 234 -10.835 6.627 5.370 1.00 0.00 C ATOM 1024 O ALA A 234 -11.490 6.344 4.389 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.381 8.882 6.289 1.00 0.00 C ATOM 0 H ALA A 234 -10.246 7.848 8.254 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.486 7.073 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.961 9.119 5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.791 9.422 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -10.344 9.179 6.137 1.00 0.00 H new ATOM 1031 N MET A 235 -9.576 6.319 5.453 1.00 0.00 N ATOM 1032 CA MET A 235 -8.901 5.607 4.337 1.00 0.00 C ATOM 1033 C MET A 235 -9.593 4.267 4.090 1.00 0.00 C ATOM 1034 O MET A 235 -9.661 3.791 2.977 1.00 0.00 O ATOM 1035 CB MET A 235 -7.440 5.356 4.709 1.00 0.00 C ATOM 1036 CG MET A 235 -6.684 4.783 3.505 1.00 0.00 C ATOM 1037 SD MET A 235 -5.071 4.166 4.049 1.00 0.00 S ATOM 1038 CE MET A 235 -5.674 2.809 5.082 1.00 0.00 C ATOM 0 H MET A 235 -8.979 6.531 6.253 1.00 0.00 H new ATOM 0 HA MET A 235 -8.954 6.216 3.434 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.973 6.286 5.033 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.384 4.662 5.548 1.00 0.00 H new ATOM 0 HG2 MET A 235 -7.260 3.977 3.050 1.00 0.00 H new ATOM 0 HG3 MET A 235 -6.554 5.552 2.743 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.510 3.051 6.132 1.00 0.00 H new ATOM 0 HE2 MET A 235 -6.740 2.663 4.905 1.00 0.00 H new ATOM 0 HE3 MET A 235 -5.136 1.895 4.832 1.00 0.00 H new ATOM 1048 N VAL A 236 -10.105 3.652 5.111 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.783 2.345 4.908 1.00 0.00 C ATOM 1050 C VAL A 236 -11.939 2.569 3.944 1.00 0.00 C ATOM 1051 O VAL A 236 -12.167 1.794 3.036 1.00 0.00 O ATOM 1052 CB VAL A 236 -11.294 1.839 6.261 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -12.212 0.636 6.064 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -10.093 1.423 7.124 1.00 0.00 C ATOM 0 H VAL A 236 -10.085 3.992 6.072 1.00 0.00 H new ATOM 0 HA VAL A 236 -10.102 1.601 4.495 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.854 2.634 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.568 0.287 7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -13.063 0.925 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.662 -0.165 5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -10.447 1.061 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.540 0.630 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.439 2.282 7.276 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.633 3.657 4.104 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.746 3.976 3.179 1.00 0.00 C ATOM 1066 C VAL A 237 -13.157 4.266 1.803 1.00 0.00 C ATOM 1067 O VAL A 237 -13.749 3.962 0.789 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.497 5.203 3.686 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.589 5.587 2.686 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -15.134 4.875 5.035 1.00 0.00 C ATOM 0 H VAL A 237 -12.474 4.343 4.842 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.440 3.137 3.121 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.804 6.037 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -16.124 6.464 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.135 5.814 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.287 4.757 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.673 5.747 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.828 4.043 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -14.356 4.600 5.748 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.987 4.854 1.763 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.354 5.176 0.461 1.00 0.00 C ATOM 1082 C ALA A 238 -11.156 3.881 -0.322 1.00 0.00 C ATOM 1083 O ALA A 238 -11.354 3.831 -1.520 1.00 0.00 O ATOM 1084 CB ALA A 238 -10.003 5.847 0.720 1.00 0.00 C ATOM 0 H ALA A 238 -11.446 5.124 2.584 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.986 5.852 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.528 6.088 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -10.155 6.762 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.362 5.169 1.284 1.00 0.00 H new ATOM 1090 N CYS A 239 -10.778 2.829 0.348 1.00 0.00 N ATOM 1091 CA CYS A 239 -10.582 1.529 -0.356 1.00 0.00 C ATOM 1092 C CYS A 239 -11.947 0.971 -0.743 1.00 0.00 C ATOM 1093 O CYS A 239 -12.315 0.929 -1.898 1.00 0.00 O ATOM 1094 CB CYS A 239 -9.895 0.547 0.591 1.00 0.00 C ATOM 1095 SG CYS A 239 -9.813 -1.104 -0.162 1.00 0.00 S ATOM 0 H CYS A 239 -10.596 2.812 1.352 1.00 0.00 H new ATOM 0 HA CYS A 239 -9.970 1.675 -1.246 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -8.890 0.898 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -10.441 0.498 1.533 1.00 0.00 H new ATOM 0 HG CYS A 239 -8.751 -1.189 -0.906 1.00 0.00 H new ATOM 1101 N ARG A 240 -12.710 0.558 0.226 1.00 0.00 N ATOM 1102 CA ARG A 240 -14.064 0.014 -0.064 1.00 0.00 C ATOM 1103 C ARG A 240 -15.078 1.151 -0.004 1.00 0.00 C ATOM 1104 O ARG A 240 -15.992 1.138 0.798 1.00 0.00 O ATOM 1105 CB ARG A 240 -14.413 -1.040 0.985 1.00 0.00 C ATOM 1106 CG ARG A 240 -13.553 -2.284 0.765 1.00 0.00 C ATOM 1107 CD ARG A 240 -13.894 -3.347 1.813 1.00 0.00 C ATOM 1108 NE ARG A 240 -13.616 -2.816 3.182 1.00 0.00 N ATOM 1109 CZ ARG A 240 -14.112 -3.421 4.237 1.00 0.00 C ATOM 1110 NH1 ARG A 240 -14.841 -4.491 4.100 1.00 0.00 N ATOM 1111 NH2 ARG A 240 -13.896 -2.944 5.438 1.00 0.00 N ATOM 0 H ARG A 240 -12.453 0.574 1.213 1.00 0.00 H new ATOM 0 HA ARG A 240 -14.082 -0.439 -1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -14.245 -0.642 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -15.470 -1.299 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -13.722 -2.681 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -12.497 -2.023 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -14.943 -3.630 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -13.306 -4.247 1.636 1.00 0.00 H new ATOM 0 HE ARG A 240 -13.040 -1.982 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -15.030 -4.864 3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 240 -15.223 -4.956 4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -13.340 -2.098 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -14.284 -3.419 6.253 1.00 0.00 H new ATOM 1125 N GLU A 241 -14.927 2.131 -0.854 1.00 0.00 N ATOM 1126 CA GLU A 241 -15.886 3.268 -0.862 1.00 0.00 C ATOM 1127 C GLU A 241 -17.249 2.748 -1.319 1.00 0.00 C ATOM 1128 O GLU A 241 -18.282 3.275 -0.956 1.00 0.00 O ATOM 1129 CB GLU A 241 -15.378 4.363 -1.819 1.00 0.00 C ATOM 1130 CG GLU A 241 -16.321 5.565 -1.771 1.00 0.00 C ATOM 1131 CD GLU A 241 -15.778 6.669 -2.673 1.00 0.00 C ATOM 1132 OE1 GLU A 241 -14.630 7.039 -2.494 1.00 0.00 O ATOM 1133 OE2 GLU A 241 -16.515 7.126 -3.524 1.00 0.00 O ATOM 0 H GLU A 241 -14.178 2.191 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 241 -15.976 3.697 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -14.370 4.667 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -15.321 3.974 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -17.319 5.272 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -16.413 5.928 -0.748 1.00 0.00 H new ATOM 1140 N GLY A 242 -17.255 1.705 -2.109 1.00 0.00 N ATOM 1141 CA GLY A 242 -18.545 1.141 -2.596 1.00 0.00 C ATOM 1142 C GLY A 242 -19.484 0.891 -1.411 1.00 0.00 C ATOM 1143 O GLY A 242 -20.560 1.443 -1.336 1.00 0.00 O ATOM 0 H GLY A 242 -16.420 1.220 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 242 -19.010 1.830 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 242 -18.365 0.209 -3.132 1.00 0.00 H new ATOM 1147 N GLU A 243 -19.090 0.065 -0.481 1.00 0.00 N ATOM 1148 CA GLU A 243 -19.974 -0.210 0.695 1.00 0.00 C ATOM 1149 C GLU A 243 -19.780 0.890 1.742 1.00 0.00 C ATOM 1150 O GLU A 243 -18.701 1.089 2.262 1.00 0.00 O ATOM 1151 CB GLU A 243 -19.606 -1.577 1.292 1.00 0.00 C ATOM 1152 CG GLU A 243 -19.897 -2.690 0.274 1.00 0.00 C ATOM 1153 CD GLU A 243 -21.397 -2.762 0.000 1.00 0.00 C ATOM 1154 OE1 GLU A 243 -22.158 -2.260 0.809 1.00 0.00 O ATOM 1155 OE2 GLU A 243 -21.758 -3.314 -1.021 1.00 0.00 O ATOM 0 H GLU A 243 -18.199 -0.431 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 243 -21.018 -0.224 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 243 -18.551 -1.591 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 243 -20.176 -1.750 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 243 -19.358 -2.497 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 243 -19.542 -3.647 0.656 1.00 0.00 H new ATOM 1162 N HIS A 244 -20.825 1.614 2.046 1.00 0.00 N ATOM 1163 CA HIS A 244 -20.726 2.713 3.056 1.00 0.00 C ATOM 1164 C HIS A 244 -22.065 2.843 3.802 1.00 0.00 C ATOM 1165 O HIS A 244 -22.426 3.909 4.262 1.00 0.00 O ATOM 1166 CB HIS A 244 -20.403 4.036 2.340 1.00 0.00 C ATOM 1167 CG HIS A 244 -21.524 4.384 1.388 1.00 0.00 C ATOM 1168 ND1 HIS A 244 -21.572 5.596 0.700 1.00 0.00 N ATOM 1169 CD2 HIS A 244 -22.643 3.685 0.991 1.00 0.00 C ATOM 1170 CE1 HIS A 244 -22.681 5.583 -0.067 1.00 0.00 C ATOM 1171 NE2 HIS A 244 -23.369 4.443 0.072 1.00 0.00 N ATOM 0 H HIS A 244 -21.751 1.491 1.636 1.00 0.00 H new ATOM 0 HA HIS A 244 -19.935 2.485 3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 244 -20.272 4.834 3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 244 -19.464 3.946 1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 244 -22.917 2.700 1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 244 -22.978 6.394 -0.715 1.00 0.00 H new ATOM 0 HE2 HIS A 244 -24.238 4.184 -0.394 1.00 0.00 H new ATOM 1179 N ALA A 245 -22.806 1.770 3.921 1.00 0.00 N ATOM 1180 CA ALA A 245 -24.123 1.847 4.632 1.00 0.00 C ATOM 1181 C ALA A 245 -23.910 1.810 6.143 1.00 0.00 C ATOM 1182 O ALA A 245 -24.087 2.800 6.819 1.00 0.00 O ATOM 1183 CB ALA A 245 -25.006 0.662 4.222 1.00 0.00 C ATOM 0 H ALA A 245 -22.560 0.848 3.560 1.00 0.00 H new ATOM 0 HA ALA A 245 -24.611 2.782 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 245 -25.962 0.723 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 245 -25.176 0.690 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 245 -24.508 -0.271 4.486 1.00 0.00 H new ATOM 1189 N LEU A 246 -23.535 0.685 6.684 1.00 0.00 N ATOM 1190 CA LEU A 246 -23.321 0.603 8.150 1.00 0.00 C ATOM 1191 C LEU A 246 -22.332 -0.519 8.441 1.00 0.00 C ATOM 1192 O LEU A 246 -22.693 -1.683 8.515 1.00 0.00 O ATOM 1193 CB LEU A 246 -24.655 0.320 8.835 1.00 0.00 C ATOM 1194 CG LEU A 246 -24.460 0.136 10.350 1.00 0.00 C ATOM 1195 CD1 LEU A 246 -23.777 1.366 10.954 1.00 0.00 C ATOM 1196 CD2 LEU A 246 -25.835 -0.059 11.001 1.00 0.00 C ATOM 0 H LEU A 246 -23.368 -0.181 6.171 1.00 0.00 H new ATOM 0 HA LEU A 246 -22.920 1.544 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -25.346 1.142 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 246 -25.105 -0.577 8.410 1.00 0.00 H new ATOM 0 HG LEU A 246 -23.829 -0.734 10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -23.646 1.220 12.026 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -22.803 1.508 10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -24.395 2.247 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 246 -25.713 -0.191 12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 246 -26.455 0.817 10.811 1.00 0.00 H new ATOM 0 HD23 LEU A 246 -26.315 -0.942 10.579 1.00 0.00 H new ATOM 1208 N MET A 247 -21.085 -0.175 8.596 1.00 0.00 N ATOM 1209 CA MET A 247 -20.050 -1.205 8.875 1.00 0.00 C ATOM 1210 C MET A 247 -20.152 -2.317 7.829 1.00 0.00 C ATOM 1211 O MET A 247 -20.336 -3.454 8.224 1.00 0.00 O ATOM 1212 CB MET A 247 -20.264 -1.783 10.276 1.00 0.00 C ATOM 1213 CG MET A 247 -19.948 -0.715 11.328 1.00 0.00 C ATOM 1214 SD MET A 247 -20.196 -1.403 12.984 1.00 0.00 S ATOM 1215 CE MET A 247 -19.705 0.065 13.922 1.00 0.00 C ATOM 1216 OXT MET A 247 -20.043 -2.011 6.652 1.00 0.00 O ATOM 0 H MET A 247 -20.737 0.782 8.541 1.00 0.00 H new ATOM 0 HA MET A 247 -19.059 -0.753 8.827 1.00 0.00 H new ATOM 0 HB2 MET A 247 -21.294 -2.123 10.386 1.00 0.00 H new ATOM 0 HB3 MET A 247 -19.624 -2.653 10.423 1.00 0.00 H new ATOM 0 HG2 MET A 247 -18.919 -0.372 11.216 1.00 0.00 H new ATOM 0 HG3 MET A 247 -20.591 0.153 11.184 1.00 0.00 H new ATOM 0 HE1 MET A 247 -19.784 -0.142 14.989 1.00 0.00 H new ATOM 0 HE2 MET A 247 -18.675 0.325 13.678 1.00 0.00 H new ATOM 0 HE3 MET A 247 -20.360 0.897 13.664 1.00 0.00 H new TER 1226 MET A 247