USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 222 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 234 THR OG1 : rot -17:sc= 0.139 USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 192 THR OG1 : rot -67:sc= 0.628 USER MOD Single : A 195 HIS :FLIP no HD1:sc= -1.48 F(o=-2.5!,f=-1.5) USER MOD Single : A 203 GLN :FLIP amide:sc= -0.0599 F(o=-1.9!,f=-0.06) USER MOD Single : A 205 TYR OH : rot 126:sc= 1.25 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= 0.469 K(o=0.47,f=-5.4!) USER MOD Single : A 214 HIS : no HE2:sc= -0.27 K(o=-0.27,f=-4.6!) USER MOD Single : A 224 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 SER OG : rot -125:sc= 1.77 USER MOD Single : A 231 ASN : amide:sc=-0.00982 X(o=-0.0098,f=-0.47) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 236 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.877) USER MOD Single : A 237 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00346) USER MOD Single : A 238 SER OG : rot 180:sc= 0 USER MOD Single : A 239 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.3) USER MOD Single : A 240 ASN : amide:sc= -0.355 K(o=-0.35,f=-2!) USER MOD Single : A 243 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 244 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 179 -8.662 4.901 -12.351 1.00 0.00 N ATOM 2 CA GLY A 179 -7.774 3.840 -12.897 1.00 0.00 C ATOM 3 C GLY A 179 -6.481 3.701 -12.119 1.00 0.00 C ATOM 4 O GLY A 179 -5.428 3.412 -12.694 1.00 0.00 O ATOM 0 HA2 GLY A 179 -8.304 2.888 -12.886 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -7.544 4.065 -13.938 1.00 0.00 H new ATOM 10 N SER A 180 -6.554 3.894 -10.810 1.00 0.00 N ATOM 11 CA SER A 180 -5.382 3.781 -9.955 1.00 0.00 C ATOM 12 C SER A 180 -5.675 2.890 -8.748 1.00 0.00 C ATOM 13 O SER A 180 -6.756 2.965 -8.161 1.00 0.00 O ATOM 14 CB SER A 180 -4.923 5.171 -9.502 1.00 0.00 C ATOM 15 OG SER A 180 -6.024 5.966 -9.085 1.00 0.00 O ATOM 0 H SER A 180 -7.415 4.130 -10.316 1.00 0.00 H new ATOM 0 HA SER A 180 -4.579 3.318 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 180 -4.211 5.072 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 180 -4.401 5.669 -10.319 1.00 0.00 H new ATOM 0 HG SER A 180 -5.702 6.847 -8.800 1.00 0.00 H new ATOM 21 N GLU A 181 -4.713 2.051 -8.383 1.00 0.00 N ATOM 22 CA GLU A 181 -4.877 1.156 -7.244 1.00 0.00 C ATOM 23 C GLU A 181 -4.056 1.642 -6.053 1.00 0.00 C ATOM 24 O GLU A 181 -3.423 2.696 -6.114 1.00 0.00 O ATOM 25 CB GLU A 181 -4.482 -0.277 -7.614 1.00 0.00 C ATOM 26 CG GLU A 181 -3.087 -0.392 -8.204 1.00 0.00 C ATOM 27 CD GLU A 181 -2.652 -1.822 -8.404 1.00 0.00 C ATOM 28 OE1 GLU A 181 -3.395 -2.735 -8.001 1.00 0.00 O ATOM 29 OE2 GLU A 181 -1.555 -2.032 -8.950 1.00 0.00 O ATOM 0 H GLU A 181 -3.814 1.972 -8.858 1.00 0.00 H new ATOM 0 HA GLU A 181 -5.930 1.160 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 181 -4.543 -0.903 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 181 -5.204 -0.670 -8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 181 -3.058 0.129 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 181 -2.377 0.110 -7.547 1.00 0.00 H new ATOM 36 N ILE A 182 -4.072 0.870 -4.974 1.00 0.00 N ATOM 37 CA ILE A 182 -3.329 1.228 -3.777 1.00 0.00 C ATOM 38 C ILE A 182 -2.145 0.291 -3.551 1.00 0.00 C ATOM 39 O ILE A 182 -2.216 -0.909 -3.832 1.00 0.00 O ATOM 40 CB ILE A 182 -4.233 1.225 -2.525 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.898 -0.144 -2.340 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.285 2.318 -2.630 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.883 -0.194 -1.193 1.00 0.00 C ATOM 0 H ILE A 182 -4.591 -0.006 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.953 2.239 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.612 1.423 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.414 -0.415 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -4.124 -0.894 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.915 2.304 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.795 3.288 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.901 2.147 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -6.312 -1.194 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -5.369 0.044 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.678 0.531 -1.365 1.00 0.00 H new ATOM 55 N VAL A 183 -1.061 0.850 -3.032 1.00 0.00 N ATOM 56 CA VAL A 183 0.137 0.079 -2.749 1.00 0.00 C ATOM 57 C VAL A 183 0.473 0.155 -1.260 1.00 0.00 C ATOM 58 O VAL A 183 0.418 1.221 -0.653 1.00 0.00 O ATOM 59 CB VAL A 183 1.348 0.545 -3.597 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.099 0.286 -5.073 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.651 2.016 -3.376 1.00 0.00 C ATOM 0 H VAL A 183 -0.989 1.840 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 183 -0.070 -0.956 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 183 2.214 -0.033 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.960 0.620 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 183 0.945 -0.781 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.212 0.833 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.506 2.307 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.783 2.613 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.882 2.186 -2.324 1.00 0.00 H new ATOM 71 N VAL A 184 0.800 -0.982 -0.676 1.00 0.00 N ATOM 72 CA VAL A 184 1.119 -1.055 0.743 1.00 0.00 C ATOM 73 C VAL A 184 2.629 -1.001 0.987 1.00 0.00 C ATOM 74 O VAL A 184 3.353 -1.927 0.643 1.00 0.00 O ATOM 75 CB VAL A 184 0.548 -2.358 1.337 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.854 -2.467 2.821 1.00 0.00 C ATOM 77 CG2 VAL A 184 -0.949 -2.450 1.085 1.00 0.00 C ATOM 0 H VAL A 184 0.853 -1.876 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 184 0.668 -0.191 1.231 1.00 0.00 H new ATOM 0 HB VAL A 184 1.033 -3.196 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.438 -3.396 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.934 -2.461 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 184 0.410 -1.622 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.334 -3.376 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.449 -1.601 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -1.139 -2.439 0.012 1.00 0.00 H new ATOM 87 N ALA A 185 3.097 0.076 1.600 1.00 0.00 N ATOM 88 CA ALA A 185 4.516 0.221 1.908 1.00 0.00 C ATOM 89 C ALA A 185 4.883 -0.699 3.067 1.00 0.00 C ATOM 90 O ALA A 185 4.160 -0.762 4.059 1.00 0.00 O ATOM 91 CB ALA A 185 4.837 1.662 2.266 1.00 0.00 C ATOM 0 H ALA A 185 2.518 0.862 1.894 1.00 0.00 H new ATOM 0 HA ALA A 185 5.099 -0.054 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.899 1.753 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.589 2.310 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.253 1.959 3.137 1.00 0.00 H new ATOM 97 N MET A 186 5.990 -1.412 2.946 1.00 0.00 N ATOM 98 CA MET A 186 6.411 -2.324 4.000 1.00 0.00 C ATOM 99 C MET A 186 7.624 -1.798 4.748 1.00 0.00 C ATOM 100 O MET A 186 7.755 -2.012 5.948 1.00 0.00 O ATOM 101 CB MET A 186 6.710 -3.712 3.432 1.00 0.00 C ATOM 102 CG MET A 186 5.458 -4.494 3.071 1.00 0.00 C ATOM 103 SD MET A 186 4.370 -4.751 4.492 1.00 0.00 S ATOM 104 CE MET A 186 3.023 -5.661 3.742 1.00 0.00 C ATOM 0 H MET A 186 6.610 -1.379 2.137 1.00 0.00 H new ATOM 0 HA MET A 186 5.585 -2.400 4.707 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.334 -3.607 2.544 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.287 -4.280 4.162 1.00 0.00 H new ATOM 0 HG2 MET A 186 4.913 -3.962 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 186 5.744 -5.461 2.657 1.00 0.00 H new ATOM 0 HE1 MET A 186 2.273 -5.891 4.499 1.00 0.00 H new ATOM 0 HE2 MET A 186 2.571 -5.058 2.954 1.00 0.00 H new ATOM 0 HE3 MET A 186 3.404 -6.589 3.315 1.00 0.00 H new ATOM 114 N TYR A 187 8.514 -1.116 4.046 1.00 0.00 N ATOM 115 CA TYR A 187 9.709 -0.577 4.681 1.00 0.00 C ATOM 116 C TYR A 187 9.601 0.928 4.846 1.00 0.00 C ATOM 117 O TYR A 187 8.764 1.571 4.216 1.00 0.00 O ATOM 118 CB TYR A 187 10.970 -0.918 3.882 1.00 0.00 C ATOM 119 CG TYR A 187 11.317 -2.390 3.874 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.520 -3.313 3.210 1.00 0.00 C ATOM 121 CD2 TYR A 187 12.442 -2.855 4.541 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.833 -4.659 3.212 1.00 0.00 C ATOM 123 CE2 TYR A 187 12.762 -4.198 4.545 1.00 0.00 C ATOM 124 CZ TYR A 187 11.955 -5.096 3.881 1.00 0.00 C ATOM 125 OH TYR A 187 12.272 -6.434 3.882 1.00 0.00 O ATOM 0 H TYR A 187 8.435 -0.923 3.048 1.00 0.00 H new ATOM 0 HA TYR A 187 9.788 -1.039 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.838 -0.581 2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.810 -0.360 4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 187 9.641 -2.973 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 187 13.077 -2.156 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.202 -5.364 2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 187 13.642 -4.544 5.067 1.00 0.00 H new ATOM 0 HH TYR A 187 13.093 -6.575 4.398 1.00 0.00 H new ATOM 135 N ASP A 188 10.466 1.476 5.690 1.00 0.00 N ATOM 136 CA ASP A 188 10.497 2.912 5.951 1.00 0.00 C ATOM 137 C ASP A 188 11.496 3.605 5.040 1.00 0.00 C ATOM 138 O ASP A 188 12.526 3.032 4.684 1.00 0.00 O ATOM 139 CB ASP A 188 10.869 3.198 7.408 1.00 0.00 C ATOM 140 CG ASP A 188 9.678 3.204 8.332 1.00 0.00 C ATOM 141 OD1 ASP A 188 8.873 2.256 8.284 1.00 0.00 O ATOM 142 OD2 ASP A 188 9.561 4.155 9.128 1.00 0.00 O ATOM 0 H ASP A 188 11.162 0.943 6.211 1.00 0.00 H new ATOM 0 HA ASP A 188 9.497 3.299 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 188 11.582 2.447 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.371 4.164 7.466 1.00 0.00 H new ATOM 147 N PHE A 189 11.195 4.847 4.679 1.00 0.00 N ATOM 148 CA PHE A 189 12.076 5.638 3.818 1.00 0.00 C ATOM 149 C PHE A 189 11.765 7.123 3.977 1.00 0.00 C ATOM 150 O PHE A 189 10.640 7.496 4.313 1.00 0.00 O ATOM 151 CB PHE A 189 11.929 5.219 2.344 1.00 0.00 C ATOM 152 CG PHE A 189 12.968 5.802 1.427 1.00 0.00 C ATOM 153 CD1 PHE A 189 14.316 5.594 1.662 1.00 0.00 C ATOM 154 CD2 PHE A 189 12.592 6.556 0.326 1.00 0.00 C ATOM 155 CE1 PHE A 189 15.269 6.126 0.818 1.00 0.00 C ATOM 156 CE2 PHE A 189 13.543 7.092 -0.521 1.00 0.00 C ATOM 157 CZ PHE A 189 14.883 6.877 -0.275 1.00 0.00 C ATOM 0 H PHE A 189 10.346 5.332 4.969 1.00 0.00 H new ATOM 0 HA PHE A 189 13.107 5.454 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.975 4.132 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.942 5.517 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.625 5.009 2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 189 11.544 6.726 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 189 16.318 5.955 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 189 13.237 7.679 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 189 15.629 7.295 -0.935 1.00 0.00 H new ATOM 167 N GLN A 190 12.762 7.962 3.752 1.00 0.00 N ATOM 168 CA GLN A 190 12.589 9.400 3.892 1.00 0.00 C ATOM 169 C GLN A 190 12.735 10.108 2.558 1.00 0.00 C ATOM 170 O GLN A 190 13.624 9.775 1.774 1.00 0.00 O ATOM 171 CB GLN A 190 13.642 9.961 4.842 1.00 0.00 C ATOM 172 CG GLN A 190 13.910 9.078 6.051 1.00 0.00 C ATOM 173 CD GLN A 190 15.106 9.540 6.852 1.00 0.00 C ATOM 174 OE1 GLN A 190 15.074 10.597 7.482 1.00 0.00 O ATOM 175 NE2 GLN A 190 16.175 8.762 6.817 1.00 0.00 N ATOM 0 H GLN A 190 13.699 7.674 3.472 1.00 0.00 H new ATOM 0 HA GLN A 190 11.586 9.570 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 190 14.573 10.103 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 190 13.321 10.944 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 190 13.029 9.069 6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 190 14.073 8.053 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 190 16.157 7.894 6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 190 17.018 9.030 7.326 1.00 0.00 H new ATOM 184 N ALA A 191 11.914 11.127 2.334 1.00 0.00 N ATOM 185 CA ALA A 191 12.024 11.923 1.121 1.00 0.00 C ATOM 186 C ALA A 191 13.306 12.723 1.240 1.00 0.00 C ATOM 187 O ALA A 191 13.450 13.526 2.163 1.00 0.00 O ATOM 188 CB ALA A 191 10.825 12.848 0.945 1.00 0.00 C ATOM 0 H ALA A 191 11.172 11.419 2.970 1.00 0.00 H new ATOM 0 HA ALA A 191 12.042 11.276 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 191 10.943 13.426 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 191 9.913 12.254 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 191 10.761 13.526 1.796 1.00 0.00 H new ATOM 194 N THR A 192 14.254 12.474 0.360 1.00 0.00 N ATOM 195 CA THR A 192 15.538 13.146 0.446 1.00 0.00 C ATOM 196 C THR A 192 15.456 14.583 -0.054 1.00 0.00 C ATOM 197 O THR A 192 16.251 15.433 0.350 1.00 0.00 O ATOM 198 CB THR A 192 16.587 12.357 -0.333 1.00 0.00 C ATOM 199 OG1 THR A 192 16.303 12.351 -1.724 1.00 0.00 O ATOM 200 CG2 THR A 192 16.692 10.915 0.112 1.00 0.00 C ATOM 0 H THR A 192 14.164 11.818 -0.416 1.00 0.00 H new ATOM 0 HA THR A 192 15.831 13.189 1.495 1.00 0.00 H new ATOM 0 HB THR A 192 17.530 12.865 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 192 15.482 11.842 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.454 10.407 -0.479 1.00 0.00 H new ATOM 0 HG22 THR A 192 16.966 10.879 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 192 15.732 10.419 -0.031 1.00 0.00 H new ATOM 208 N GLU A 193 14.483 14.861 -0.910 1.00 0.00 N ATOM 209 CA GLU A 193 14.300 16.207 -1.432 1.00 0.00 C ATOM 210 C GLU A 193 12.834 16.625 -1.351 1.00 0.00 C ATOM 211 O GLU A 193 12.376 17.098 -0.312 1.00 0.00 O ATOM 212 CB GLU A 193 14.827 16.309 -2.867 1.00 0.00 C ATOM 213 CG GLU A 193 16.244 15.770 -3.010 1.00 0.00 C ATOM 214 CD GLU A 193 16.945 16.257 -4.250 1.00 0.00 C ATOM 215 OE1 GLU A 193 16.426 16.035 -5.355 1.00 0.00 O ATOM 216 OE2 GLU A 193 18.027 16.856 -4.112 1.00 0.00 O ATOM 0 H GLU A 193 13.811 14.176 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 193 14.877 16.895 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 193 14.164 15.758 -3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 193 14.805 17.351 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 193 16.825 16.060 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 193 16.211 14.681 -3.024 1.00 0.00 H new ATOM 223 N ALA A 194 12.096 16.441 -2.440 1.00 0.00 N ATOM 224 CA ALA A 194 10.680 16.802 -2.476 1.00 0.00 C ATOM 225 C ALA A 194 9.909 15.912 -3.436 1.00 0.00 C ATOM 226 O ALA A 194 8.760 15.562 -3.175 1.00 0.00 O ATOM 227 CB ALA A 194 10.505 18.263 -2.868 1.00 0.00 C ATOM 0 H ALA A 194 12.452 16.045 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 194 10.278 16.655 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 194 9.443 18.510 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 194 11.011 18.898 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 194 10.935 18.429 -3.856 1.00 0.00 H new ATOM 233 N HIS A 195 10.543 15.547 -4.548 1.00 0.00 N ATOM 234 CA HIS A 195 9.911 14.689 -5.549 1.00 0.00 C ATOM 235 C HIS A 195 9.745 13.270 -5.002 1.00 0.00 C ATOM 236 O HIS A 195 9.006 12.464 -5.562 1.00 0.00 O ATOM 237 CB HIS A 195 10.722 14.675 -6.858 1.00 0.00 C ATOM 238 CG HIS A 195 12.117 14.132 -6.718 1.00 0.00 C ATOM 239 ND1 HIS A 195 12.662 12.977 -7.162 1.00 0.00 N flip ATOM 240 CD2 HIS A 195 13.116 14.780 -6.026 1.00 0.00 C flip ATOM 241 CE1 HIS A 195 13.967 12.942 -6.727 1.00 0.00 C flip ATOM 242 NE2 HIS A 195 14.212 14.046 -6.046 1.00 0.00 N flip ATOM 0 H HIS A 195 11.495 15.832 -4.779 1.00 0.00 H new ATOM 0 HA HIS A 195 8.924 15.095 -5.772 1.00 0.00 H new ATOM 0 HB2 HIS A 195 10.186 14.080 -7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 195 10.778 15.692 -7.247 1.00 0.00 H new ATOM 0 HD2 HIS A 195 13.017 15.740 -5.542 1.00 0.00 H new ATOM 0 HE1 HIS A 195 14.672 12.145 -6.912 1.00 0.00 H new ATOM 0 HE2 HIS A 195 15.100 14.291 -5.608 1.00 0.00 H new ATOM 251 N ASP A 196 10.425 12.987 -3.898 1.00 0.00 N ATOM 252 CA ASP A 196 10.347 11.683 -3.245 1.00 0.00 C ATOM 253 C ASP A 196 9.225 11.684 -2.218 1.00 0.00 C ATOM 254 O ASP A 196 8.755 12.747 -1.809 1.00 0.00 O ATOM 255 CB ASP A 196 11.660 11.360 -2.522 1.00 0.00 C ATOM 256 CG ASP A 196 12.834 11.163 -3.451 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.618 10.983 -4.666 1.00 0.00 O ATOM 258 OD2 ASP A 196 13.981 11.162 -2.954 1.00 0.00 O ATOM 0 H ASP A 196 11.044 13.650 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 196 10.158 10.933 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 196 11.890 12.168 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 196 11.524 10.457 -1.927 1.00 0.00 H new ATOM 263 N LEU A 197 8.824 10.505 -1.771 1.00 0.00 N ATOM 264 CA LEU A 197 7.788 10.394 -0.752 1.00 0.00 C ATOM 265 C LEU A 197 8.290 9.570 0.423 1.00 0.00 C ATOM 266 O LEU A 197 9.272 8.837 0.305 1.00 0.00 O ATOM 267 CB LEU A 197 6.501 9.773 -1.304 1.00 0.00 C ATOM 268 CG LEU A 197 5.452 10.768 -1.823 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.132 10.059 -2.085 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.242 11.904 -0.829 1.00 0.00 C ATOM 0 H LEU A 197 9.197 9.613 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 197 7.555 11.405 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.765 9.095 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.045 9.169 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 197 5.821 11.189 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 197 3.400 10.778 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.280 9.278 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 197 3.769 9.612 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 197 4.495 12.595 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 197 4.898 11.497 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.183 12.434 -0.678 1.00 0.00 H new ATOM 282 N ARG A 198 7.614 9.695 1.557 1.00 0.00 N ATOM 283 CA ARG A 198 7.997 8.957 2.751 1.00 0.00 C ATOM 284 C ARG A 198 7.387 7.565 2.758 1.00 0.00 C ATOM 285 O ARG A 198 6.294 7.351 2.237 1.00 0.00 O ATOM 286 CB ARG A 198 7.571 9.703 4.016 1.00 0.00 C ATOM 287 CG ARG A 198 8.573 10.746 4.472 1.00 0.00 C ATOM 288 CD ARG A 198 8.331 11.139 5.922 1.00 0.00 C ATOM 289 NE ARG A 198 8.253 9.966 6.800 1.00 0.00 N ATOM 290 CZ ARG A 198 8.162 10.037 8.130 1.00 0.00 C ATOM 291 NH1 ARG A 198 8.137 11.218 8.735 1.00 0.00 N ATOM 292 NH2 ARG A 198 8.074 8.925 8.853 1.00 0.00 N ATOM 0 H ARG A 198 6.800 10.299 1.674 1.00 0.00 H new ATOM 0 HA ARG A 198 9.083 8.866 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 198 6.611 10.187 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.419 8.982 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 198 9.585 10.356 4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 198 8.500 11.628 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 198 9.135 11.793 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 198 7.405 11.709 5.994 1.00 0.00 H new ATOM 0 HE ARG A 198 8.269 9.042 6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 198 8.187 12.075 8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 198 8.067 11.269 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 198 8.076 8.015 8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 198 8.005 8.981 9.869 1.00 0.00 H new ATOM 306 N LEU A 199 8.095 6.628 3.365 1.00 0.00 N ATOM 307 CA LEU A 199 7.628 5.254 3.462 1.00 0.00 C ATOM 308 C LEU A 199 7.381 4.900 4.917 1.00 0.00 C ATOM 309 O LEU A 199 8.226 5.167 5.768 1.00 0.00 O ATOM 310 CB LEU A 199 8.642 4.282 2.845 1.00 0.00 C ATOM 311 CG LEU A 199 8.602 4.143 1.320 1.00 0.00 C ATOM 312 CD1 LEU A 199 7.244 3.652 0.887 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.924 5.454 0.629 1.00 0.00 C ATOM 0 H LEU A 199 9.002 6.795 3.801 1.00 0.00 H new ATOM 0 HA LEU A 199 6.696 5.165 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.643 4.602 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 199 8.483 3.297 3.283 1.00 0.00 H new ATOM 0 HG LEU A 199 9.364 3.419 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.221 3.555 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.046 2.682 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 199 6.482 4.364 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 199 8.886 5.315 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 199 8.195 6.209 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 199 9.923 5.782 0.917 1.00 0.00 H new ATOM 325 N GLU A 200 6.224 4.316 5.198 1.00 0.00 N ATOM 326 CA GLU A 200 5.871 3.944 6.563 1.00 0.00 C ATOM 327 C GLU A 200 5.566 2.453 6.654 1.00 0.00 C ATOM 328 O GLU A 200 5.222 1.823 5.652 1.00 0.00 O ATOM 329 CB GLU A 200 4.643 4.743 7.022 1.00 0.00 C ATOM 330 CG GLU A 200 4.746 6.244 6.777 1.00 0.00 C ATOM 331 CD GLU A 200 5.487 6.970 7.874 1.00 0.00 C ATOM 332 OE1 GLU A 200 6.635 6.593 8.175 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.916 7.924 8.437 1.00 0.00 O ATOM 0 H GLU A 200 5.515 4.090 4.501 1.00 0.00 H new ATOM 0 HA GLU A 200 6.719 4.171 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 200 3.762 4.362 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.488 4.570 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 200 5.252 6.418 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.743 6.661 6.685 1.00 0.00 H new ATOM 340 N ARG A 201 5.677 1.899 7.858 1.00 0.00 N ATOM 341 CA ARG A 201 5.398 0.482 8.082 1.00 0.00 C ATOM 342 C ARG A 201 3.908 0.177 7.921 1.00 0.00 C ATOM 343 O ARG A 201 3.113 0.447 8.822 1.00 0.00 O ATOM 344 CB ARG A 201 5.849 0.056 9.487 1.00 0.00 C ATOM 345 CG ARG A 201 7.343 -0.167 9.626 1.00 0.00 C ATOM 346 CD ARG A 201 7.798 -1.392 8.845 1.00 0.00 C ATOM 347 NE ARG A 201 9.110 -1.886 9.269 1.00 0.00 N ATOM 348 CZ ARG A 201 10.268 -1.259 9.049 1.00 0.00 C ATOM 349 NH1 ARG A 201 10.296 -0.090 8.435 1.00 0.00 N ATOM 350 NH2 ARG A 201 11.400 -1.812 9.465 1.00 0.00 N ATOM 0 H ARG A 201 5.958 2.410 8.695 1.00 0.00 H new ATOM 0 HA ARG A 201 5.957 -0.080 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.540 0.819 10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.330 -0.863 9.759 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.878 0.713 9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.597 -0.290 10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 201 7.061 -2.186 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 201 7.834 -1.147 7.784 1.00 0.00 H new ATOM 0 HE ARG A 201 9.141 -2.774 9.769 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.427 0.343 8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 201 11.187 0.380 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 201 11.381 -2.710 9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 201 12.289 -1.339 9.301 1.00 0.00 H new ATOM 364 N GLY A 202 3.534 -0.393 6.780 1.00 0.00 N ATOM 365 CA GLY A 202 2.142 -0.733 6.535 1.00 0.00 C ATOM 366 C GLY A 202 1.300 0.464 6.142 1.00 0.00 C ATOM 367 O GLY A 202 0.164 0.607 6.594 1.00 0.00 O ATOM 0 H GLY A 202 4.171 -0.626 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.090 -1.482 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.721 -1.187 7.432 1.00 0.00 H new ATOM 371 N GLN A 203 1.851 1.326 5.297 1.00 0.00 N ATOM 372 CA GLN A 203 1.129 2.511 4.846 1.00 0.00 C ATOM 373 C GLN A 203 0.681 2.332 3.397 1.00 0.00 C ATOM 374 O GLN A 203 1.500 2.059 2.524 1.00 0.00 O ATOM 375 CB GLN A 203 2.021 3.747 4.971 1.00 0.00 C ATOM 376 CG GLN A 203 1.255 5.060 4.965 1.00 0.00 C ATOM 377 CD GLN A 203 0.482 5.303 6.247 1.00 0.00 C ATOM 378 OE1 GLN A 203 0.733 4.486 7.261 1.00 0.00 O flip ATOM 379 NE2 GLN A 203 -0.323 6.227 6.329 1.00 0.00 N flip ATOM 0 H GLN A 203 2.790 1.229 4.911 1.00 0.00 H new ATOM 0 HA GLN A 203 0.248 2.647 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.596 3.677 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.737 3.751 4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.954 5.881 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.562 5.066 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -0.487 6.833 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.827 6.388 7.201 1.00 0.00 H new ATOM 388 N GLU A 204 -0.614 2.470 3.144 1.00 0.00 N ATOM 389 CA GLU A 204 -1.146 2.300 1.796 1.00 0.00 C ATOM 390 C GLU A 204 -1.200 3.630 1.043 1.00 0.00 C ATOM 391 O GLU A 204 -1.739 4.620 1.538 1.00 0.00 O ATOM 392 CB GLU A 204 -2.540 1.672 1.857 1.00 0.00 C ATOM 393 CG GLU A 204 -2.586 0.368 2.638 1.00 0.00 C ATOM 394 CD GLU A 204 -3.947 -0.282 2.589 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.924 0.368 3.002 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.042 -1.443 2.143 1.00 0.00 O ATOM 0 H GLU A 204 -1.314 2.698 3.850 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.475 1.636 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.230 2.383 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.892 1.490 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -1.843 -0.320 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.314 0.559 3.676 1.00 0.00 H new ATOM 403 N TYR A 205 -0.644 3.635 -0.159 1.00 0.00 N ATOM 404 CA TYR A 205 -0.626 4.823 -0.999 1.00 0.00 C ATOM 405 C TYR A 205 -1.360 4.538 -2.299 1.00 0.00 C ATOM 406 O TYR A 205 -1.696 3.397 -2.583 1.00 0.00 O ATOM 407 CB TYR A 205 0.809 5.256 -1.318 1.00 0.00 C ATOM 408 CG TYR A 205 1.639 5.627 -0.116 1.00 0.00 C ATOM 409 CD1 TYR A 205 2.174 4.655 0.718 1.00 0.00 C ATOM 410 CD2 TYR A 205 1.887 6.954 0.181 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.931 5.001 1.816 1.00 0.00 C ATOM 412 CE2 TYR A 205 2.644 7.310 1.276 1.00 0.00 C ATOM 413 CZ TYR A 205 3.163 6.330 2.091 1.00 0.00 C ATOM 414 OH TYR A 205 3.913 6.677 3.187 1.00 0.00 O ATOM 0 H TYR A 205 -0.195 2.821 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.119 5.629 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.308 4.446 -1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.774 6.109 -1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 205 1.994 3.612 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 205 1.480 7.725 -0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 205 3.340 4.234 2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 205 2.829 8.352 1.493 1.00 0.00 H new ATOM 0 HH TYR A 205 4.646 7.266 2.909 1.00 0.00 H new ATOM 424 N ILE A 206 -1.594 5.570 -3.092 1.00 0.00 N ATOM 425 CA ILE A 206 -2.281 5.407 -4.364 1.00 0.00 C ATOM 426 C ILE A 206 -1.282 5.557 -5.505 1.00 0.00 C ATOM 427 O ILE A 206 -0.893 6.667 -5.852 1.00 0.00 O ATOM 428 CB ILE A 206 -3.428 6.442 -4.543 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.281 6.581 -3.269 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.313 6.048 -5.714 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.695 7.520 -2.228 1.00 0.00 C ATOM 0 H ILE A 206 -1.319 6.529 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.725 4.411 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 206 -2.966 7.409 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.273 6.937 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.410 5.595 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.112 6.780 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.717 6.016 -6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.746 5.065 -5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.356 7.562 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.716 7.155 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.592 8.518 -2.655 1.00 0.00 H new ATOM 443 N ILE A 207 -0.848 4.438 -6.071 1.00 0.00 N ATOM 444 CA ILE A 207 0.126 4.461 -7.154 1.00 0.00 C ATOM 445 C ILE A 207 -0.429 5.133 -8.413 1.00 0.00 C ATOM 446 O ILE A 207 -1.514 4.800 -8.897 1.00 0.00 O ATOM 447 CB ILE A 207 0.644 3.040 -7.475 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.436 3.046 -8.780 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.503 2.041 -7.530 1.00 0.00 C ATOM 450 CD1 ILE A 207 2.023 1.705 -9.142 1.00 0.00 C ATOM 0 H ILE A 207 -1.155 3.504 -5.798 1.00 0.00 H new ATOM 0 HA ILE A 207 0.968 5.061 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 207 1.313 2.727 -6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 207 0.784 3.377 -9.588 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.242 3.776 -8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -0.111 1.050 -7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -1.012 2.018 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -1.208 2.339 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.571 1.789 -10.081 1.00 0.00 H new ATOM 0 HD12 ILE A 207 2.702 1.380 -8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.221 0.975 -9.254 1.00 0.00 H new ATOM 462 N LEU A 208 0.343 6.088 -8.922 1.00 0.00 N ATOM 463 CA LEU A 208 -0.016 6.844 -10.113 1.00 0.00 C ATOM 464 C LEU A 208 0.689 6.272 -11.338 1.00 0.00 C ATOM 465 O LEU A 208 0.071 6.061 -12.381 1.00 0.00 O ATOM 466 CB LEU A 208 0.407 8.305 -9.945 1.00 0.00 C ATOM 467 CG LEU A 208 0.294 8.856 -8.523 1.00 0.00 C ATOM 468 CD1 LEU A 208 1.326 9.939 -8.294 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.094 9.406 -8.264 1.00 0.00 C ATOM 0 H LEU A 208 1.239 6.359 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.095 6.778 -10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.440 8.408 -10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.202 8.921 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 208 0.477 8.036 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 208 1.233 10.321 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 208 2.325 9.526 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 208 1.165 10.751 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -1.148 9.792 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.304 10.211 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -1.830 8.612 -8.391 1.00 0.00 H new ATOM 481 N GLU A 209 1.997 6.039 -11.207 1.00 0.00 N ATOM 482 CA GLU A 209 2.791 5.506 -12.308 1.00 0.00 C ATOM 483 C GLU A 209 3.540 4.247 -11.890 1.00 0.00 C ATOM 484 O GLU A 209 4.031 4.148 -10.762 1.00 0.00 O ATOM 485 CB GLU A 209 3.794 6.549 -12.807 1.00 0.00 C ATOM 486 CG GLU A 209 3.149 7.833 -13.306 1.00 0.00 C ATOM 487 CD GLU A 209 4.147 8.776 -13.933 1.00 0.00 C ATOM 488 OE1 GLU A 209 5.107 9.170 -13.246 1.00 0.00 O ATOM 489 OE2 GLU A 209 3.968 9.127 -15.113 1.00 0.00 O ATOM 0 H GLU A 209 2.524 6.212 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 209 2.101 5.254 -13.113 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.485 6.791 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.386 6.114 -13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 209 2.377 7.588 -14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.654 8.334 -12.474 1.00 0.00 H new ATOM 496 N LYS A 210 3.632 3.299 -12.815 1.00 0.00 N ATOM 497 CA LYS A 210 4.327 2.040 -12.575 1.00 0.00 C ATOM 498 C LYS A 210 5.290 1.749 -13.720 1.00 0.00 C ATOM 499 O LYS A 210 4.862 1.419 -14.828 1.00 0.00 O ATOM 500 CB LYS A 210 3.310 0.902 -12.446 1.00 0.00 C ATOM 501 CG LYS A 210 3.921 -0.452 -12.110 1.00 0.00 C ATOM 502 CD LYS A 210 2.853 -1.519 -11.940 1.00 0.00 C ATOM 503 CE LYS A 210 3.472 -2.862 -11.582 1.00 0.00 C ATOM 504 NZ LYS A 210 2.440 -3.896 -11.272 1.00 0.00 N ATOM 0 H LYS A 210 3.229 3.380 -13.748 1.00 0.00 H new ATOM 0 HA LYS A 210 4.894 2.118 -11.648 1.00 0.00 H new ATOM 0 HB2 LYS A 210 2.587 1.163 -11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 210 2.758 0.816 -13.382 1.00 0.00 H new ATOM 0 HG2 LYS A 210 4.609 -0.748 -12.902 1.00 0.00 H new ATOM 0 HG3 LYS A 210 4.505 -0.371 -11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 210 2.154 -1.218 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 210 2.279 -1.614 -12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 210 4.091 -3.207 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 210 4.130 -2.739 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 2.908 -4.794 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 1.865 -3.581 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 1.827 -4.034 -12.101 1.00 0.00 H new ATOM 518 N ASN A 211 6.586 1.876 -13.464 1.00 0.00 N ATOM 519 CA ASN A 211 7.586 1.624 -14.498 1.00 0.00 C ATOM 520 C ASN A 211 8.675 0.661 -14.017 1.00 0.00 C ATOM 521 O ASN A 211 8.781 -0.460 -14.520 1.00 0.00 O ATOM 522 CB ASN A 211 8.190 2.951 -15.011 1.00 0.00 C ATOM 523 CG ASN A 211 8.520 3.953 -13.912 1.00 0.00 C ATOM 524 OD1 ASN A 211 9.466 3.766 -13.151 1.00 0.00 O ATOM 525 ND2 ASN A 211 7.739 5.026 -13.811 1.00 0.00 N ATOM 0 H ASN A 211 6.968 2.149 -12.559 1.00 0.00 H new ATOM 0 HA ASN A 211 7.081 1.138 -15.333 1.00 0.00 H new ATOM 0 HB2 ASN A 211 9.099 2.731 -15.571 1.00 0.00 H new ATOM 0 HB3 ASN A 211 7.489 3.411 -15.708 1.00 0.00 H new ATOM 0 HD21 ASN A 211 7.919 5.721 -13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 211 6.961 5.153 -14.458 1.00 0.00 H new ATOM 532 N ASP A 212 9.476 1.092 -13.051 1.00 0.00 N ATOM 533 CA ASP A 212 10.552 0.268 -12.507 1.00 0.00 C ATOM 534 C ASP A 212 10.081 -0.433 -11.240 1.00 0.00 C ATOM 535 O ASP A 212 9.291 0.122 -10.484 1.00 0.00 O ATOM 536 CB ASP A 212 11.781 1.141 -12.203 1.00 0.00 C ATOM 537 CG ASP A 212 13.054 0.343 -11.999 1.00 0.00 C ATOM 538 OD1 ASP A 212 13.034 -0.887 -12.196 1.00 0.00 O ATOM 539 OD2 ASP A 212 14.083 0.954 -11.657 1.00 0.00 O ATOM 0 H ASP A 212 9.401 2.015 -12.624 1.00 0.00 H new ATOM 0 HA ASP A 212 10.829 -0.485 -13.244 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.929 1.844 -13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.585 1.732 -11.308 1.00 0.00 H new ATOM 544 N LEU A 213 10.571 -1.643 -11.003 1.00 0.00 N ATOM 545 CA LEU A 213 10.191 -2.403 -9.812 1.00 0.00 C ATOM 546 C LEU A 213 10.853 -1.814 -8.577 1.00 0.00 C ATOM 547 O LEU A 213 10.653 -2.289 -7.459 1.00 0.00 O ATOM 548 CB LEU A 213 10.608 -3.873 -9.933 1.00 0.00 C ATOM 549 CG LEU A 213 10.830 -4.395 -11.358 1.00 0.00 C ATOM 550 CD1 LEU A 213 11.402 -5.802 -11.325 1.00 0.00 C ATOM 551 CD2 LEU A 213 9.530 -4.374 -12.154 1.00 0.00 C ATOM 0 H LEU A 213 11.231 -2.121 -11.616 1.00 0.00 H new ATOM 0 HA LEU A 213 9.106 -2.345 -9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.529 -4.016 -9.368 1.00 0.00 H new ATOM 0 HB3 LEU A 213 9.843 -4.487 -9.458 1.00 0.00 H new ATOM 0 HG LEU A 213 11.545 -3.737 -11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 213 11.553 -6.157 -12.344 1.00 0.00 H new ATOM 0 HD12 LEU A 213 12.356 -5.795 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 213 10.708 -6.465 -10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 213 9.714 -4.749 -13.161 1.00 0.00 H new ATOM 0 HD22 LEU A 213 8.791 -5.006 -11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 213 9.154 -3.352 -12.210 1.00 0.00 H new ATOM 563 N HIS A 214 11.667 -0.797 -8.793 1.00 0.00 N ATOM 564 CA HIS A 214 12.391 -0.161 -7.713 1.00 0.00 C ATOM 565 C HIS A 214 11.976 1.298 -7.562 1.00 0.00 C ATOM 566 O HIS A 214 12.257 1.925 -6.541 1.00 0.00 O ATOM 567 CB HIS A 214 13.899 -0.265 -7.977 1.00 0.00 C ATOM 568 CG HIS A 214 14.314 -1.596 -8.543 1.00 0.00 C ATOM 569 ND1 HIS A 214 14.199 -1.910 -9.882 1.00 0.00 N ATOM 570 CD2 HIS A 214 14.767 -2.717 -7.939 1.00 0.00 C ATOM 571 CE1 HIS A 214 14.560 -3.165 -10.072 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.910 -3.681 -8.909 1.00 0.00 N ATOM 0 H HIS A 214 11.842 -0.393 -9.713 1.00 0.00 H new ATOM 0 HA HIS A 214 12.152 -0.673 -6.781 1.00 0.00 H new ATOM 0 HB2 HIS A 214 14.195 0.524 -8.668 1.00 0.00 H new ATOM 0 HB3 HIS A 214 14.437 -0.091 -7.045 1.00 0.00 H new ATOM 0 HD1 HIS A 214 13.884 -1.271 -10.612 1.00 0.00 H new ATOM 0 HD2 HIS A 214 14.978 -2.834 -6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 214 14.568 -3.683 -11.020 1.00 0.00 H new ATOM 581 N TRP A 215 11.306 1.838 -8.578 1.00 0.00 N ATOM 582 CA TRP A 215 10.862 3.227 -8.535 1.00 0.00 C ATOM 583 C TRP A 215 9.468 3.415 -9.125 1.00 0.00 C ATOM 584 O TRP A 215 9.279 3.334 -10.340 1.00 0.00 O ATOM 585 CB TRP A 215 11.827 4.151 -9.290 1.00 0.00 C ATOM 586 CG TRP A 215 13.143 4.378 -8.607 1.00 0.00 C ATOM 587 CD1 TRP A 215 14.314 3.703 -8.810 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.409 5.350 -7.595 1.00 0.00 C ATOM 589 NE1 TRP A 215 15.299 4.219 -7.998 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.767 5.230 -7.240 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.632 6.323 -6.968 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.356 6.039 -6.271 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.215 7.125 -6.008 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.566 6.984 -5.670 1.00 0.00 C ATOM 0 H TRP A 215 11.061 1.339 -9.433 1.00 0.00 H new ATOM 0 HA TRP A 215 10.840 3.491 -7.478 1.00 0.00 H new ATOM 0 HB2 TRP A 215 12.014 3.729 -10.278 1.00 0.00 H new ATOM 0 HB3 TRP A 215 11.341 5.115 -9.442 1.00 0.00 H new ATOM 0 HD1 TRP A 215 14.447 2.886 -9.504 1.00 0.00 H new ATOM 0 HE1 TRP A 215 16.268 3.901 -7.966 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.591 6.447 -7.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.396 5.926 -6.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.619 7.874 -5.509 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.994 7.633 -4.921 1.00 0.00 H new ATOM 605 N TRP A 216 8.513 3.732 -8.270 1.00 0.00 N ATOM 606 CA TRP A 216 7.152 4.015 -8.708 1.00 0.00 C ATOM 607 C TRP A 216 6.801 5.416 -8.255 1.00 0.00 C ATOM 608 O TRP A 216 7.582 6.052 -7.558 1.00 0.00 O ATOM 609 CB TRP A 216 6.123 3.044 -8.107 1.00 0.00 C ATOM 610 CG TRP A 216 6.129 1.667 -8.686 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.673 1.263 -9.867 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.517 0.513 -8.111 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.461 -0.083 -10.044 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.752 -0.567 -8.982 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.799 0.288 -6.936 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.296 -1.854 -8.707 1.00 0.00 C ATOM 617 CZ3 TRP A 216 4.347 -0.985 -6.665 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.596 -2.046 -7.546 1.00 0.00 C ATOM 0 H TRP A 216 8.653 3.801 -7.262 1.00 0.00 H new ATOM 0 HA TRP A 216 7.116 3.906 -9.792 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.302 2.970 -7.034 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.128 3.470 -8.236 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.194 1.905 -10.562 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.782 -0.633 -10.841 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.601 1.098 -6.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.488 -2.672 -9.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 3.791 -1.168 -5.758 1.00 0.00 H new ATOM 0 HH2 TRP A 216 4.229 -3.033 -7.305 1.00 0.00 H new ATOM 629 N ARG A 217 5.618 5.882 -8.592 1.00 0.00 N ATOM 630 CA ARG A 217 5.191 7.193 -8.138 1.00 0.00 C ATOM 631 C ARG A 217 3.775 7.074 -7.614 1.00 0.00 C ATOM 632 O ARG A 217 2.854 6.800 -8.374 1.00 0.00 O ATOM 633 CB ARG A 217 5.290 8.252 -9.242 1.00 0.00 C ATOM 634 CG ARG A 217 5.121 9.670 -8.712 1.00 0.00 C ATOM 635 CD ARG A 217 5.705 10.698 -9.662 1.00 0.00 C ATOM 636 NE ARG A 217 5.584 12.056 -9.126 1.00 0.00 N ATOM 637 CZ ARG A 217 5.918 13.158 -9.799 1.00 0.00 C ATOM 638 NH1 ARG A 217 6.378 13.073 -11.038 1.00 0.00 N ATOM 639 NH2 ARG A 217 5.804 14.349 -9.223 1.00 0.00 N ATOM 0 H ARG A 217 4.941 5.383 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 217 5.857 7.529 -7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.257 8.166 -9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.528 8.057 -9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 217 4.062 9.877 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.607 9.755 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 217 6.755 10.470 -9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 217 5.194 10.638 -10.623 1.00 0.00 H new ATOM 0 HE ARG A 217 5.222 12.166 -8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 217 6.479 12.161 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 217 6.632 13.920 -11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 217 5.461 14.422 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 217 6.060 15.191 -9.738 1.00 0.00 H new ATOM 653 N ALA A 218 3.608 7.241 -6.310 1.00 0.00 N ATOM 654 CA ALA A 218 2.294 7.114 -5.697 1.00 0.00 C ATOM 655 C ALA A 218 1.897 8.383 -4.956 1.00 0.00 C ATOM 656 O ALA A 218 2.703 9.291 -4.793 1.00 0.00 O ATOM 657 CB ALA A 218 2.266 5.913 -4.762 1.00 0.00 C ATOM 0 H ALA A 218 4.361 7.463 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 218 1.565 6.960 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.278 5.828 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.486 5.007 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.014 6.043 -3.980 1.00 0.00 H new ATOM 663 N ARG A 219 0.645 8.431 -4.529 1.00 0.00 N ATOM 664 CA ARG A 219 0.106 9.578 -3.815 1.00 0.00 C ATOM 665 C ARG A 219 -0.097 9.227 -2.345 1.00 0.00 C ATOM 666 O ARG A 219 -0.457 8.096 -2.021 1.00 0.00 O ATOM 667 CB ARG A 219 -1.221 9.977 -4.459 1.00 0.00 C ATOM 668 CG ARG A 219 -1.397 11.468 -4.668 1.00 0.00 C ATOM 669 CD ARG A 219 -1.860 12.173 -3.400 1.00 0.00 C ATOM 670 NE ARG A 219 -3.090 11.592 -2.856 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.272 11.627 -3.469 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.405 12.241 -4.638 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.329 11.064 -2.901 1.00 0.00 N ATOM 0 H ARG A 219 -0.026 7.676 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 219 0.803 10.414 -3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -1.307 9.475 -5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -2.037 9.612 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.453 11.901 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -2.123 11.639 -5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.072 12.118 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.024 13.229 -3.614 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.038 11.130 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.599 12.690 -5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -5.313 12.264 -5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.237 10.604 -1.995 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.235 11.090 -3.370 1.00 0.00 H new ATOM 687 N ASP A 220 0.150 10.187 -1.462 1.00 0.00 N ATOM 688 CA ASP A 220 0.009 9.962 -0.027 1.00 0.00 C ATOM 689 C ASP A 220 -1.300 10.545 0.505 1.00 0.00 C ATOM 690 O ASP A 220 -2.310 9.848 0.590 1.00 0.00 O ATOM 691 CB ASP A 220 1.193 10.580 0.727 1.00 0.00 C ATOM 692 CG ASP A 220 1.232 10.200 2.194 1.00 0.00 C ATOM 693 OD1 ASP A 220 0.401 9.370 2.627 1.00 0.00 O ATOM 694 OD2 ASP A 220 2.108 10.717 2.918 1.00 0.00 O ATOM 0 H ASP A 220 0.449 11.129 -1.714 1.00 0.00 H new ATOM 0 HA ASP A 220 -0.005 8.885 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 220 2.122 10.265 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 220 1.143 11.665 0.641 1.00 0.00 H new ATOM 699 N LYS A 221 -1.258 11.824 0.882 1.00 0.00 N ATOM 700 CA LYS A 221 -2.426 12.505 1.439 1.00 0.00 C ATOM 701 C LYS A 221 -3.428 12.908 0.359 1.00 0.00 C ATOM 702 O LYS A 221 -4.082 12.061 -0.240 1.00 0.00 O ATOM 703 CB LYS A 221 -1.993 13.743 2.238 1.00 0.00 C ATOM 704 CG LYS A 221 -1.041 13.426 3.386 1.00 0.00 C ATOM 705 CD LYS A 221 -0.583 14.676 4.120 1.00 0.00 C ATOM 706 CE LYS A 221 -1.733 15.384 4.821 1.00 0.00 C ATOM 707 NZ LYS A 221 -1.295 16.658 5.454 1.00 0.00 N ATOM 0 H LYS A 221 -0.426 12.409 0.811 1.00 0.00 H new ATOM 0 HA LYS A 221 -2.923 11.798 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -1.512 14.451 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -2.879 14.236 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -1.535 12.755 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -0.171 12.897 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 221 0.177 14.407 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -0.115 15.360 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -2.526 15.589 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -2.155 14.727 5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -2.107 17.110 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -0.556 16.460 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -0.916 17.295 4.725 1.00 0.00 H new ATOM 721 N TYR A 222 -3.553 14.206 0.125 1.00 0.00 N ATOM 722 CA TYR A 222 -4.485 14.723 -0.869 1.00 0.00 C ATOM 723 C TYR A 222 -3.794 15.718 -1.791 1.00 0.00 C ATOM 724 O TYR A 222 -4.344 16.770 -2.119 1.00 0.00 O ATOM 725 CB TYR A 222 -5.689 15.374 -0.175 1.00 0.00 C ATOM 726 CG TYR A 222 -5.355 15.993 1.164 1.00 0.00 C ATOM 727 CD1 TYR A 222 -4.553 17.124 1.256 1.00 0.00 C ATOM 728 CD2 TYR A 222 -5.827 15.430 2.342 1.00 0.00 C ATOM 729 CE1 TYR A 222 -4.232 17.673 2.481 1.00 0.00 C ATOM 730 CE2 TYR A 222 -5.513 15.978 3.569 1.00 0.00 C ATOM 731 CZ TYR A 222 -4.714 17.099 3.632 1.00 0.00 C ATOM 732 OH TYR A 222 -4.389 17.640 4.853 1.00 0.00 O ATOM 0 H TYR A 222 -3.018 14.925 0.612 1.00 0.00 H new ATOM 0 HA TYR A 222 -4.840 13.891 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.102 16.143 -0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.467 14.623 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -4.174 17.581 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -6.450 14.549 2.297 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -3.604 18.550 2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -5.892 15.530 4.476 1.00 0.00 H new ATOM 0 HH TYR A 222 -4.811 17.116 5.566 1.00 0.00 H new ATOM 742 N GLY A 223 -2.580 15.377 -2.197 1.00 0.00 N ATOM 743 CA GLY A 223 -1.816 16.241 -3.071 1.00 0.00 C ATOM 744 C GLY A 223 -0.359 15.839 -3.129 1.00 0.00 C ATOM 745 O GLY A 223 0.300 16.020 -4.150 1.00 0.00 O ATOM 0 H GLY A 223 -2.108 14.512 -1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -2.241 16.210 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -1.895 17.271 -2.723 1.00 0.00 H new ATOM 749 N SER A 224 0.143 15.286 -2.029 1.00 0.00 N ATOM 750 CA SER A 224 1.530 14.849 -1.956 1.00 0.00 C ATOM 751 C SER A 224 1.741 13.552 -2.733 1.00 0.00 C ATOM 752 O SER A 224 1.199 12.506 -2.381 1.00 0.00 O ATOM 753 CB SER A 224 1.952 14.672 -0.493 1.00 0.00 C ATOM 754 OG SER A 224 0.911 14.084 0.275 1.00 0.00 O ATOM 0 H SER A 224 -0.393 15.130 -1.175 1.00 0.00 H new ATOM 0 HA SER A 224 2.153 15.618 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 224 2.843 14.046 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.218 15.640 -0.069 1.00 0.00 H new ATOM 0 HG SER A 224 1.208 13.981 1.203 1.00 0.00 H new ATOM 760 N GLU A 225 2.529 13.630 -3.793 1.00 0.00 N ATOM 761 CA GLU A 225 2.822 12.474 -4.624 1.00 0.00 C ATOM 762 C GLU A 225 4.296 12.482 -4.988 1.00 0.00 C ATOM 763 O GLU A 225 4.901 13.549 -5.096 1.00 0.00 O ATOM 764 CB GLU A 225 1.952 12.488 -5.890 1.00 0.00 C ATOM 765 CG GLU A 225 2.070 13.766 -6.699 1.00 0.00 C ATOM 766 CD GLU A 225 1.146 13.794 -7.895 1.00 0.00 C ATOM 767 OE1 GLU A 225 1.380 13.030 -8.853 1.00 0.00 O ATOM 768 OE2 GLU A 225 0.175 14.575 -7.875 1.00 0.00 O ATOM 0 H GLU A 225 2.981 14.491 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 225 2.594 11.563 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.230 11.643 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 225 0.910 12.344 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 225 1.850 14.618 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 225 3.099 13.881 -7.039 1.00 0.00 H new ATOM 775 N GLY A 226 4.889 11.314 -5.169 1.00 0.00 N ATOM 776 CA GLY A 226 6.295 11.278 -5.509 1.00 0.00 C ATOM 777 C GLY A 226 6.823 9.883 -5.725 1.00 0.00 C ATOM 778 O GLY A 226 6.085 8.900 -5.588 1.00 0.00 O ATOM 0 H GLY A 226 4.433 10.405 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.458 11.864 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.866 11.755 -4.713 1.00 0.00 H new ATOM 782 N TYR A 227 8.103 9.807 -6.066 1.00 0.00 N ATOM 783 CA TYR A 227 8.766 8.538 -6.312 1.00 0.00 C ATOM 784 C TYR A 227 8.910 7.739 -5.023 1.00 0.00 C ATOM 785 O TYR A 227 9.299 8.264 -3.981 1.00 0.00 O ATOM 786 CB TYR A 227 10.134 8.761 -6.959 1.00 0.00 C ATOM 787 CG TYR A 227 10.052 9.389 -8.324 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.377 8.758 -9.358 1.00 0.00 C ATOM 789 CD2 TYR A 227 10.639 10.619 -8.573 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.291 9.336 -10.608 1.00 0.00 C ATOM 791 CE2 TYR A 227 10.560 11.204 -9.819 1.00 0.00 C ATOM 792 CZ TYR A 227 9.884 10.560 -10.835 1.00 0.00 C ATOM 793 OH TYR A 227 9.799 11.141 -12.077 1.00 0.00 O ATOM 0 H TYR A 227 8.707 10.621 -6.179 1.00 0.00 H new ATOM 0 HA TYR A 227 8.147 7.963 -7.001 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.736 9.397 -6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.651 7.805 -7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.911 7.799 -9.182 1.00 0.00 H new ATOM 0 HD2 TYR A 227 11.166 11.127 -7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.762 8.833 -11.404 1.00 0.00 H new ATOM 0 HE2 TYR A 227 11.025 12.162 -9.999 1.00 0.00 H new ATOM 0 HH TYR A 227 10.269 12.001 -12.069 1.00 0.00 H new ATOM 803 N ILE A 228 8.567 6.466 -5.122 1.00 0.00 N ATOM 804 CA ILE A 228 8.613 5.543 -4.005 1.00 0.00 C ATOM 805 C ILE A 228 9.310 4.256 -4.400 1.00 0.00 C ATOM 806 O ILE A 228 8.973 3.664 -5.425 1.00 0.00 O ATOM 807 CB ILE A 228 7.189 5.172 -3.547 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.392 6.422 -3.171 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.233 4.202 -2.381 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.049 6.122 -2.552 1.00 0.00 C ATOM 0 H ILE A 228 8.245 6.041 -5.992 1.00 0.00 H new ATOM 0 HA ILE A 228 9.156 6.039 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 228 6.686 4.684 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 228 6.978 7.020 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.243 7.029 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.217 3.955 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.752 3.293 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.762 4.661 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.542 7.057 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.443 5.551 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.190 5.541 -1.640 1.00 0.00 H new ATOM 822 N PRO A 229 10.270 3.786 -3.585 1.00 0.00 N ATOM 823 CA PRO A 229 10.965 2.542 -3.866 1.00 0.00 C ATOM 824 C PRO A 229 10.007 1.369 -3.819 1.00 0.00 C ATOM 825 O PRO A 229 9.690 0.871 -2.744 1.00 0.00 O ATOM 826 CB PRO A 229 11.995 2.400 -2.745 1.00 0.00 C ATOM 827 CG PRO A 229 11.540 3.329 -1.665 1.00 0.00 C ATOM 828 CD PRO A 229 10.727 4.412 -2.334 1.00 0.00 C ATOM 0 HA PRO A 229 11.418 2.553 -4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.043 1.373 -2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 229 12.994 2.663 -3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 229 10.941 2.798 -0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.393 3.756 -1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 229 9.887 4.723 -1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.327 5.301 -2.528 1.00 0.00 H new ATOM 836 N SER A 230 9.546 0.942 -4.980 1.00 0.00 N ATOM 837 CA SER A 230 8.625 -0.180 -5.087 1.00 0.00 C ATOM 838 C SER A 230 9.212 -1.430 -4.439 1.00 0.00 C ATOM 839 O SER A 230 8.488 -2.356 -4.078 1.00 0.00 O ATOM 840 CB SER A 230 8.334 -0.459 -6.553 1.00 0.00 C ATOM 841 OG SER A 230 8.737 0.640 -7.358 1.00 0.00 O ATOM 0 H SER A 230 9.797 1.361 -5.875 1.00 0.00 H new ATOM 0 HA SER A 230 7.703 0.079 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 230 8.859 -1.361 -6.869 1.00 0.00 H new ATOM 0 HB3 SER A 230 7.269 -0.646 -6.689 1.00 0.00 H new ATOM 0 HG SER A 230 7.978 0.946 -7.898 1.00 0.00 H new ATOM 847 N ASN A 231 10.530 -1.441 -4.270 1.00 0.00 N ATOM 848 CA ASN A 231 11.211 -2.559 -3.641 1.00 0.00 C ATOM 849 C ASN A 231 10.883 -2.594 -2.148 1.00 0.00 C ATOM 850 O ASN A 231 11.024 -3.620 -1.480 1.00 0.00 O ATOM 851 CB ASN A 231 12.722 -2.454 -3.896 1.00 0.00 C ATOM 852 CG ASN A 231 13.522 -3.573 -3.257 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.766 -3.570 -2.050 1.00 0.00 O ATOM 854 ND2 ASN A 231 13.928 -4.549 -4.061 1.00 0.00 N ATOM 0 H ASN A 231 11.147 -0.683 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 231 10.865 -3.497 -4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 231 12.902 -2.457 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.081 -1.498 -3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.462 -5.332 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 231 13.706 -4.516 -5.056 1.00 0.00 H new ATOM 861 N TYR A 232 10.408 -1.464 -1.641 1.00 0.00 N ATOM 862 CA TYR A 232 10.023 -1.338 -0.243 1.00 0.00 C ATOM 863 C TYR A 232 8.506 -1.419 -0.083 1.00 0.00 C ATOM 864 O TYR A 232 8.000 -1.410 1.039 1.00 0.00 O ATOM 865 CB TYR A 232 10.518 -0.004 0.337 1.00 0.00 C ATOM 866 CG TYR A 232 12.010 0.068 0.596 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.844 -1.006 0.312 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.585 1.218 1.132 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.200 -0.939 0.552 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.942 1.290 1.373 1.00 0.00 C ATOM 871 CZ TYR A 232 14.742 0.209 1.081 1.00 0.00 C ATOM 872 OH TYR A 232 16.093 0.276 1.317 1.00 0.00 O ATOM 0 H TYR A 232 10.279 -0.612 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 232 10.484 -2.164 0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.245 0.797 -0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 232 9.992 0.185 1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.423 -1.909 -0.104 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.959 2.067 1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.834 -1.784 0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.373 2.189 1.788 1.00 0.00 H new ATOM 0 HH TYR A 232 16.317 1.154 1.691 1.00 0.00 H new ATOM 882 N VAL A 233 7.771 -1.481 -1.196 1.00 0.00 N ATOM 883 CA VAL A 233 6.313 -1.548 -1.129 1.00 0.00 C ATOM 884 C VAL A 233 5.774 -2.832 -1.757 1.00 0.00 C ATOM 885 O VAL A 233 6.432 -3.470 -2.576 1.00 0.00 O ATOM 886 CB VAL A 233 5.643 -0.328 -1.807 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.144 0.967 -1.191 1.00 0.00 C ATOM 888 CG2 VAL A 233 5.888 -0.321 -3.305 1.00 0.00 C ATOM 0 H VAL A 233 8.156 -1.486 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 233 6.061 -1.540 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 233 4.569 -0.408 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.662 1.813 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.907 0.980 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.224 1.039 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.404 0.549 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.960 -0.278 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.477 -1.229 -3.745 1.00 0.00 H new ATOM 898 N THR A 234 4.569 -3.185 -1.357 1.00 0.00 N ATOM 899 CA THR A 234 3.880 -4.368 -1.844 1.00 0.00 C ATOM 900 C THR A 234 2.452 -3.994 -2.163 1.00 0.00 C ATOM 901 O THR A 234 1.794 -3.356 -1.349 1.00 0.00 O ATOM 902 CB THR A 234 3.905 -5.473 -0.777 1.00 0.00 C ATOM 903 OG1 THR A 234 3.232 -5.060 0.403 1.00 0.00 O ATOM 904 CG2 THR A 234 5.301 -5.882 -0.368 1.00 0.00 C ATOM 0 H THR A 234 4.031 -2.651 -0.674 1.00 0.00 H new ATOM 0 HA THR A 234 4.377 -4.742 -2.739 1.00 0.00 H new ATOM 0 HB THR A 234 3.407 -6.322 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.132 -4.085 0.398 1.00 0.00 H new ATOM 0 HG21 THR A 234 5.244 -6.665 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 234 5.840 -6.256 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 234 5.827 -5.020 0.042 1.00 0.00 H new ATOM 912 N GLY A 235 1.956 -4.392 -3.324 1.00 0.00 N ATOM 913 CA GLY A 235 0.580 -4.083 -3.651 1.00 0.00 C ATOM 914 C GLY A 235 -0.337 -4.801 -2.681 1.00 0.00 C ATOM 915 O GLY A 235 0.144 -5.503 -1.792 1.00 0.00 O ATOM 0 H GLY A 235 2.470 -4.914 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.414 -3.007 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.359 -4.390 -4.673 1.00 0.00 H new ATOM 919 N LYS A 236 -1.639 -4.662 -2.822 1.00 0.00 N ATOM 920 CA LYS A 236 -2.546 -5.347 -1.910 1.00 0.00 C ATOM 921 C LYS A 236 -2.655 -6.821 -2.311 1.00 0.00 C ATOM 922 O LYS A 236 -3.747 -7.357 -2.510 1.00 0.00 O ATOM 923 CB LYS A 236 -3.913 -4.656 -1.882 1.00 0.00 C ATOM 924 CG LYS A 236 -4.724 -4.948 -0.626 1.00 0.00 C ATOM 925 CD LYS A 236 -3.899 -4.717 0.634 1.00 0.00 C ATOM 926 CE LYS A 236 -4.760 -4.757 1.885 1.00 0.00 C ATOM 927 NZ LYS A 236 -5.705 -3.609 1.940 1.00 0.00 N ATOM 0 H LYS A 236 -2.090 -4.096 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.148 -5.299 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.767 -3.579 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -4.486 -4.970 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -5.608 -4.311 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -5.075 -5.980 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -3.121 -5.477 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -3.397 -3.752 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -5.321 -5.691 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -4.120 -4.744 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -6.154 -3.573 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -5.186 -2.724 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -6.437 -3.727 1.210 1.00 0.00 H new ATOM 941 N LYS A 237 -1.489 -7.454 -2.434 1.00 0.00 N ATOM 942 CA LYS A 237 -1.372 -8.853 -2.814 1.00 0.00 C ATOM 943 C LYS A 237 -1.462 -9.753 -1.586 1.00 0.00 C ATOM 944 O LYS A 237 -1.064 -9.358 -0.491 1.00 0.00 O ATOM 945 CB LYS A 237 -0.024 -9.050 -3.520 1.00 0.00 C ATOM 946 CG LYS A 237 0.365 -10.497 -3.773 1.00 0.00 C ATOM 947 CD LYS A 237 1.870 -10.641 -3.976 1.00 0.00 C ATOM 948 CE LYS A 237 2.644 -10.126 -2.766 1.00 0.00 C ATOM 949 NZ LYS A 237 4.116 -10.268 -2.921 1.00 0.00 N ATOM 0 H LYS A 237 -0.590 -7.000 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 237 -2.189 -9.122 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -0.051 -8.525 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 237 0.755 -8.580 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 237 0.049 -11.113 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -0.160 -10.868 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 237 2.117 -11.688 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 237 2.174 -10.090 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 237 2.400 -9.076 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 237 2.323 -10.669 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 4.586 -9.998 -2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 4.347 -11.256 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 4.445 -9.649 -3.689 1.00 0.00 H new ATOM 963 N SER A 238 -1.958 -10.969 -1.774 1.00 0.00 N ATOM 964 CA SER A 238 -2.056 -11.925 -0.684 1.00 0.00 C ATOM 965 C SER A 238 -0.686 -12.554 -0.476 1.00 0.00 C ATOM 966 O SER A 238 -0.046 -12.985 -1.436 1.00 0.00 O ATOM 967 CB SER A 238 -3.096 -12.999 -1.009 1.00 0.00 C ATOM 968 OG SER A 238 -3.513 -13.698 0.156 1.00 0.00 O ATOM 0 H SER A 238 -2.298 -11.315 -2.671 1.00 0.00 H new ATOM 0 HA SER A 238 -2.374 -11.420 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 238 -3.961 -12.536 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 238 -2.678 -13.705 -1.727 1.00 0.00 H new ATOM 0 HG SER A 238 -4.178 -14.375 -0.089 1.00 0.00 H new ATOM 974 N ASN A 239 -0.219 -12.589 0.760 1.00 0.00 N ATOM 975 CA ASN A 239 1.098 -13.150 1.038 1.00 0.00 C ATOM 976 C ASN A 239 1.035 -14.660 1.248 1.00 0.00 C ATOM 977 O ASN A 239 1.350 -15.166 2.327 1.00 0.00 O ATOM 978 CB ASN A 239 1.740 -12.468 2.248 1.00 0.00 C ATOM 979 CG ASN A 239 3.210 -12.818 2.382 1.00 0.00 C ATOM 980 OD1 ASN A 239 3.967 -12.738 1.416 1.00 0.00 O ATOM 981 ND2 ASN A 239 3.619 -13.198 3.581 1.00 0.00 N ATOM 0 H ASN A 239 -0.720 -12.242 1.578 1.00 0.00 H new ATOM 0 HA ASN A 239 1.720 -12.961 0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 239 1.631 -11.387 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 239 1.212 -12.765 3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 239 4.598 -13.439 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 239 2.955 -13.250 4.354 1.00 0.00 H new ATOM 988 N ASN A 240 0.649 -15.373 0.199 1.00 0.00 N ATOM 989 CA ASN A 240 0.572 -16.825 0.241 1.00 0.00 C ATOM 990 C ASN A 240 1.633 -17.411 -0.681 1.00 0.00 C ATOM 991 O ASN A 240 2.315 -18.372 -0.323 1.00 0.00 O ATOM 992 CB ASN A 240 -0.829 -17.322 -0.161 1.00 0.00 C ATOM 993 CG ASN A 240 -1.182 -17.045 -1.613 1.00 0.00 C ATOM 994 OD1 ASN A 240 -1.209 -15.894 -2.050 1.00 0.00 O ATOM 995 ND2 ASN A 240 -1.454 -18.099 -2.370 1.00 0.00 N ATOM 0 H ASN A 240 0.383 -14.965 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 240 0.755 -17.157 1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -0.890 -18.395 0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -1.571 -16.848 0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -1.697 -17.972 -3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -1.421 -19.037 -1.970 1.00 0.00 H new ATOM 1002 N LEU A 241 1.769 -16.797 -1.860 1.00 0.00 N ATOM 1003 CA LEU A 241 2.744 -17.208 -2.868 1.00 0.00 C ATOM 1004 C LEU A 241 2.684 -18.716 -3.110 1.00 0.00 C ATOM 1005 O LEU A 241 1.630 -19.255 -3.447 1.00 0.00 O ATOM 1006 CB LEU A 241 4.158 -16.781 -2.446 1.00 0.00 C ATOM 1007 CG LEU A 241 4.326 -15.284 -2.162 1.00 0.00 C ATOM 1008 CD1 LEU A 241 5.742 -14.978 -1.690 1.00 0.00 C ATOM 1009 CD2 LEU A 241 3.988 -14.469 -3.398 1.00 0.00 C ATOM 0 H LEU A 241 1.202 -15.997 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 241 2.495 -16.711 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 241 4.438 -17.338 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 241 4.857 -17.067 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 241 3.636 -15.008 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 241 5.838 -13.910 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 241 5.949 -15.534 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 241 6.454 -15.271 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 241 4.112 -13.408 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 241 4.653 -14.752 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 241 2.955 -14.661 -3.689 1.00 0.00 H new ATOM 1021 N ASP A 242 3.816 -19.389 -2.928 1.00 0.00 N ATOM 1022 CA ASP A 242 3.890 -20.833 -3.115 1.00 0.00 C ATOM 1023 C ASP A 242 3.423 -21.541 -1.850 1.00 0.00 C ATOM 1024 O ASP A 242 2.247 -21.495 -1.501 1.00 0.00 O ATOM 1025 CB ASP A 242 5.325 -21.262 -3.456 1.00 0.00 C ATOM 1026 CG ASP A 242 5.826 -20.684 -4.761 1.00 0.00 C ATOM 1027 OD1 ASP A 242 5.059 -19.977 -5.440 1.00 0.00 O ATOM 1028 OD2 ASP A 242 6.994 -20.940 -5.109 1.00 0.00 O ATOM 0 H ASP A 242 4.697 -18.956 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 242 3.240 -21.110 -3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 242 5.991 -20.953 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 242 5.370 -22.350 -3.507 1.00 0.00 H new ATOM 1033 N GLN A 243 4.355 -22.174 -1.152 1.00 0.00 N ATOM 1034 CA GLN A 243 4.039 -22.866 0.087 1.00 0.00 C ATOM 1035 C GLN A 243 4.965 -22.360 1.189 1.00 0.00 C ATOM 1036 O GLN A 243 5.945 -23.018 1.547 1.00 0.00 O ATOM 1037 CB GLN A 243 4.195 -24.381 -0.085 1.00 0.00 C ATOM 1038 CG GLN A 243 3.482 -25.196 0.984 1.00 0.00 C ATOM 1039 CD GLN A 243 1.977 -25.038 0.926 1.00 0.00 C ATOM 1040 OE1 GLN A 243 1.338 -25.403 -0.062 1.00 0.00 O ATOM 1041 NE2 GLN A 243 1.403 -24.489 1.983 1.00 0.00 N ATOM 0 H GLN A 243 5.337 -22.222 -1.424 1.00 0.00 H new ATOM 0 HA GLN A 243 3.003 -22.664 0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.811 -24.668 -1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 243 5.256 -24.632 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.738 -26.249 0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 243 3.839 -24.890 1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.971 -24.201 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.392 -24.353 2.002 1.00 0.00 H new ATOM 1050 N TYR A 244 4.664 -21.174 1.706 1.00 0.00 N ATOM 1051 CA TYR A 244 5.481 -20.562 2.748 1.00 0.00 C ATOM 1052 C TYR A 244 4.878 -20.783 4.130 1.00 0.00 C ATOM 1053 O TYR A 244 5.374 -21.598 4.909 1.00 0.00 O ATOM 1054 CB TYR A 244 5.642 -19.059 2.484 1.00 0.00 C ATOM 1055 CG TYR A 244 6.526 -18.734 1.293 1.00 0.00 C ATOM 1056 CD1 TYR A 244 6.202 -19.169 0.011 1.00 0.00 C ATOM 1057 CD2 TYR A 244 7.692 -17.995 1.454 1.00 0.00 C ATOM 1058 CE1 TYR A 244 7.013 -18.879 -1.070 1.00 0.00 C ATOM 1059 CE2 TYR A 244 8.507 -17.699 0.376 1.00 0.00 C ATOM 1060 CZ TYR A 244 8.163 -18.143 -0.881 1.00 0.00 C ATOM 1061 OH TYR A 244 8.975 -17.853 -1.954 1.00 0.00 O ATOM 0 H TYR A 244 3.859 -20.616 1.420 1.00 0.00 H new ATOM 0 HA TYR A 244 6.460 -21.040 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 244 4.657 -18.621 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 244 6.059 -18.587 3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 244 5.300 -19.744 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 244 7.967 -17.646 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 244 6.747 -19.227 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 244 9.409 -17.122 0.520 1.00 0.00 H new ATOM 0 HH TYR A 244 9.743 -17.326 -1.650 1.00 0.00 H new ATOM 1071 N ASP A 245 3.813 -20.049 4.433 1.00 0.00 N ATOM 1072 CA ASP A 245 3.152 -20.163 5.726 1.00 0.00 C ATOM 1073 C ASP A 245 1.788 -20.822 5.564 1.00 0.00 C ATOM 1074 O ASP A 245 0.870 -20.157 5.053 1.00 0.00 O ATOM 1075 CB ASP A 245 2.990 -18.782 6.369 1.00 0.00 C ATOM 1076 CG ASP A 245 2.725 -18.851 7.856 1.00 0.00 C ATOM 1077 OD1 ASP A 245 2.812 -19.950 8.434 1.00 0.00 O ATOM 1078 OD2 ASP A 245 2.448 -17.794 8.453 1.00 0.00 O ATOM 1079 OXT ASP A 245 1.649 -22.002 5.942 1.00 0.00 O ATOM 0 H ASP A 245 3.390 -19.369 3.801 1.00 0.00 H new ATOM 0 HA ASP A 245 3.771 -20.782 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 245 3.893 -18.197 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 245 2.169 -18.255 5.883 1.00 0.00 H new TER 1084 ASP A 245