USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 203 GLN : amide:sc= -1.89! C(o=-0.63!,f=-10!) USER MOD Set 1.2: A 205 TYR OH : rot 105:sc= 1.26 USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= -0.0839 K(o=-0.084,f=-2.9) USER MOD Single : A 192 THR OG1 : rot -13:sc= 0.41 USER MOD Single : A 195 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0503) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 227 TYR OH : rot 180:sc= -0.0563 USER MOD Single : A 230 SER OG : rot 134:sc= 0.182 USER MOD Single : A 231 ASN : amide:sc= 0.0024 K(o=0.0024,f=-1.4) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.694 -0.006 -5.094 1.00 0.00 N ATOM 37 CA ILE A 182 -3.147 0.348 -3.794 1.00 0.00 C ATOM 38 C ILE A 182 -1.881 -0.447 -3.484 1.00 0.00 C ATOM 39 O ILE A 182 -1.843 -1.668 -3.639 1.00 0.00 O ATOM 40 CB ILE A 182 -4.188 0.130 -2.660 1.00 0.00 C ATOM 41 CG1 ILE A 182 -5.301 1.176 -2.733 1.00 0.00 C ATOM 42 CG2 ILE A 182 -3.532 0.178 -1.291 1.00 0.00 C ATOM 43 CD1 ILE A 182 -6.320 0.939 -3.827 1.00 0.00 C ATOM 0 HA ILE A 182 -2.893 1.407 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 182 -4.620 -0.860 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.818 1.205 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -4.850 2.157 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -4.287 0.022 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -2.776 -0.604 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -3.062 1.151 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -7.070 1.729 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -5.821 0.942 -4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.804 -0.025 -3.671 1.00 0.00 H new ATOM 55 N VAL A 183 -0.855 0.258 -3.023 1.00 0.00 N ATOM 56 CA VAL A 183 0.398 -0.373 -2.658 1.00 0.00 C ATOM 57 C VAL A 183 0.684 -0.153 -1.167 1.00 0.00 C ATOM 58 O VAL A 183 0.785 0.982 -0.697 1.00 0.00 O ATOM 59 CB VAL A 183 1.588 0.130 -3.528 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.304 -0.118 -4.999 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.891 1.605 -3.296 1.00 0.00 C ATOM 0 H VAL A 183 -0.871 1.270 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 183 0.296 -1.441 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 183 2.470 -0.435 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.143 0.238 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.165 -1.186 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.399 0.416 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.728 1.908 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 183 1.014 2.201 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 183 2.148 1.763 -2.249 1.00 0.00 H new ATOM 71 N VAL A 184 0.800 -1.239 -0.425 1.00 0.00 N ATOM 72 CA VAL A 184 1.066 -1.166 1.004 1.00 0.00 C ATOM 73 C VAL A 184 2.573 -1.080 1.257 1.00 0.00 C ATOM 74 O VAL A 184 3.324 -1.988 0.896 1.00 0.00 O ATOM 75 CB VAL A 184 0.475 -2.399 1.732 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.891 -2.447 3.194 1.00 0.00 C ATOM 77 CG2 VAL A 184 -1.045 -2.432 1.587 1.00 0.00 C ATOM 0 H VAL A 184 0.714 -2.188 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 184 0.589 -0.269 1.398 1.00 0.00 H new ATOM 0 HB VAL A 184 0.883 -3.291 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.455 -3.327 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.978 -2.499 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 184 0.539 -1.549 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.441 -3.305 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.472 -1.528 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -1.309 -2.486 0.531 1.00 0.00 H new ATOM 87 N ALA A 185 3.009 0.017 1.874 1.00 0.00 N ATOM 88 CA ALA A 185 4.426 0.218 2.175 1.00 0.00 C ATOM 89 C ALA A 185 4.859 -0.698 3.314 1.00 0.00 C ATOM 90 O ALA A 185 4.158 -0.819 4.316 1.00 0.00 O ATOM 91 CB ALA A 185 4.688 1.670 2.548 1.00 0.00 C ATOM 0 H ALA A 185 2.402 0.780 2.175 1.00 0.00 H new ATOM 0 HA ALA A 185 5.006 -0.026 1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.747 1.803 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.407 2.316 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.098 1.932 3.426 1.00 0.00 H new ATOM 97 N MET A 186 6.009 -1.341 3.158 1.00 0.00 N ATOM 98 CA MET A 186 6.519 -2.248 4.183 1.00 0.00 C ATOM 99 C MET A 186 7.772 -1.697 4.854 1.00 0.00 C ATOM 100 O MET A 186 7.971 -1.871 6.056 1.00 0.00 O ATOM 101 CB MET A 186 6.816 -3.625 3.586 1.00 0.00 C ATOM 102 CG MET A 186 5.570 -4.394 3.172 1.00 0.00 C ATOM 103 SD MET A 186 4.470 -4.745 4.557 1.00 0.00 S ATOM 104 CE MET A 186 3.212 -5.718 3.733 1.00 0.00 C ATOM 0 H MET A 186 6.606 -1.253 2.335 1.00 0.00 H new ATOM 0 HA MET A 186 5.743 -2.344 4.942 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.462 -3.503 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.371 -4.215 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.028 -3.820 2.420 1.00 0.00 H new ATOM 0 HG3 MET A 186 5.867 -5.332 2.704 1.00 0.00 H new ATOM 0 HE1 MET A 186 2.452 -6.016 4.455 1.00 0.00 H new ATOM 0 HE2 MET A 186 2.750 -5.123 2.945 1.00 0.00 H new ATOM 0 HE3 MET A 186 3.667 -6.607 3.297 1.00 0.00 H new ATOM 114 N TYR A 187 8.624 -1.042 4.080 1.00 0.00 N ATOM 115 CA TYR A 187 9.858 -0.484 4.625 1.00 0.00 C ATOM 116 C TYR A 187 9.732 1.022 4.809 1.00 0.00 C ATOM 117 O TYR A 187 8.854 1.659 4.221 1.00 0.00 O ATOM 118 CB TYR A 187 11.052 -0.795 3.711 1.00 0.00 C ATOM 119 CG TYR A 187 11.431 -2.262 3.624 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.805 -3.224 4.407 1.00 0.00 C ATOM 121 CD2 TYR A 187 12.430 -2.680 2.754 1.00 0.00 C ATOM 122 CE1 TYR A 187 11.160 -4.558 4.322 1.00 0.00 C ATOM 123 CE2 TYR A 187 12.791 -4.010 2.666 1.00 0.00 C ATOM 124 CZ TYR A 187 12.153 -4.944 3.451 1.00 0.00 C ATOM 125 OH TYR A 187 12.515 -6.268 3.364 1.00 0.00 O ATOM 0 H TYR A 187 8.488 -0.883 3.082 1.00 0.00 H new ATOM 0 HA TYR A 187 10.030 -0.947 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.825 -0.434 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.916 -0.233 4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.027 -2.925 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 187 12.933 -1.952 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.661 -5.293 4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 187 13.571 -4.316 1.984 1.00 0.00 H new ATOM 0 HH TYR A 187 13.230 -6.369 2.701 1.00 0.00 H new ATOM 135 N ASP A 188 10.624 1.588 5.617 1.00 0.00 N ATOM 136 CA ASP A 188 10.632 3.023 5.875 1.00 0.00 C ATOM 137 C ASP A 188 11.503 3.736 4.845 1.00 0.00 C ATOM 138 O ASP A 188 12.528 3.209 4.411 1.00 0.00 O ATOM 139 CB ASP A 188 11.133 3.323 7.295 1.00 0.00 C ATOM 140 CG ASP A 188 12.600 3.007 7.498 1.00 0.00 C ATOM 141 OD1 ASP A 188 13.001 1.845 7.287 1.00 0.00 O ATOM 142 OD2 ASP A 188 13.352 3.922 7.887 1.00 0.00 O ATOM 0 H ASP A 188 11.354 1.071 6.106 1.00 0.00 H new ATOM 0 HA ASP A 188 9.610 3.392 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 188 10.962 4.376 7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 188 10.543 2.748 8.009 1.00 0.00 H new ATOM 147 N PHE A 189 11.084 4.925 4.452 1.00 0.00 N ATOM 148 CA PHE A 189 11.817 5.711 3.469 1.00 0.00 C ATOM 149 C PHE A 189 11.581 7.187 3.733 1.00 0.00 C ATOM 150 O PHE A 189 10.470 7.583 4.084 1.00 0.00 O ATOM 151 CB PHE A 189 11.361 5.337 2.057 1.00 0.00 C ATOM 152 CG PHE A 189 12.181 5.939 0.960 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.531 5.662 0.857 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.598 6.773 0.024 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.286 6.206 -0.159 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.347 7.323 -0.994 1.00 0.00 C ATOM 157 CZ PHE A 189 13.694 7.040 -1.088 1.00 0.00 C ATOM 0 H PHE A 189 10.235 5.372 4.799 1.00 0.00 H new ATOM 0 HA PHE A 189 12.883 5.501 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.384 4.252 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.324 5.647 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 189 13.999 5.012 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.543 6.996 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.340 5.981 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 189 11.880 7.975 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.284 7.469 -1.885 1.00 0.00 H new ATOM 167 N GLN A 190 12.621 7.997 3.588 1.00 0.00 N ATOM 168 CA GLN A 190 12.506 9.427 3.842 1.00 0.00 C ATOM 169 C GLN A 190 12.592 10.243 2.562 1.00 0.00 C ATOM 170 O GLN A 190 13.223 9.836 1.586 1.00 0.00 O ATOM 171 CB GLN A 190 13.602 9.894 4.801 1.00 0.00 C ATOM 172 CG GLN A 190 13.606 9.197 6.152 1.00 0.00 C ATOM 173 CD GLN A 190 12.312 9.385 6.906 1.00 0.00 C ATOM 174 OE1 GLN A 190 11.309 8.721 6.630 1.00 0.00 O ATOM 175 NE2 GLN A 190 12.313 10.320 7.838 1.00 0.00 N ATOM 0 H GLN A 190 13.549 7.691 3.297 1.00 0.00 H new ATOM 0 HA GLN A 190 11.525 9.588 4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 190 14.571 9.740 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 190 13.492 10.967 4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 190 13.786 8.132 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 190 14.431 9.581 6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 190 13.166 10.845 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 190 11.461 10.518 8.363 1.00 0.00 H new ATOM 184 N ALA A 191 11.985 11.422 2.598 1.00 0.00 N ATOM 185 CA ALA A 191 12.011 12.340 1.470 1.00 0.00 C ATOM 186 C ALA A 191 13.042 13.425 1.737 1.00 0.00 C ATOM 187 O ALA A 191 12.725 14.465 2.318 1.00 0.00 O ATOM 188 CB ALA A 191 10.641 12.957 1.243 1.00 0.00 C ATOM 0 H ALA A 191 11.464 11.766 3.405 1.00 0.00 H new ATOM 0 HA ALA A 191 12.282 11.791 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 191 10.686 13.640 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 191 9.917 12.169 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 191 10.337 13.506 2.134 1.00 0.00 H new ATOM 194 N THR A 192 14.274 13.167 1.333 1.00 0.00 N ATOM 195 CA THR A 192 15.362 14.113 1.552 1.00 0.00 C ATOM 196 C THR A 192 15.329 15.241 0.520 1.00 0.00 C ATOM 197 O THR A 192 16.041 16.240 0.648 1.00 0.00 O ATOM 198 CB THR A 192 16.709 13.373 1.521 1.00 0.00 C ATOM 199 OG1 THR A 192 17.796 14.280 1.603 1.00 0.00 O ATOM 200 CG2 THR A 192 16.908 12.524 0.284 1.00 0.00 C ATOM 0 H THR A 192 14.549 12.311 0.851 1.00 0.00 H new ATOM 0 HA THR A 192 15.236 14.569 2.534 1.00 0.00 H new ATOM 0 HB THR A 192 16.683 12.715 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 192 17.473 15.192 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.880 12.033 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 192 16.123 11.770 0.230 1.00 0.00 H new ATOM 0 HG23 THR A 192 16.865 13.157 -0.602 1.00 0.00 H new ATOM 208 N GLU A 193 14.494 15.088 -0.495 1.00 0.00 N ATOM 209 CA GLU A 193 14.375 16.102 -1.529 1.00 0.00 C ATOM 210 C GLU A 193 12.913 16.528 -1.695 1.00 0.00 C ATOM 211 O GLU A 193 12.420 17.390 -0.970 1.00 0.00 O ATOM 212 CB GLU A 193 14.938 15.567 -2.854 1.00 0.00 C ATOM 213 CG GLU A 193 15.549 16.636 -3.752 1.00 0.00 C ATOM 214 CD GLU A 193 14.520 17.572 -4.335 1.00 0.00 C ATOM 215 OE1 GLU A 193 13.668 17.106 -5.117 1.00 0.00 O ATOM 216 OE2 GLU A 193 14.557 18.772 -4.005 1.00 0.00 O ATOM 0 H GLU A 193 13.891 14.275 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 193 14.952 16.978 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 193 15.696 14.815 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 193 14.139 15.065 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 193 16.274 17.213 -3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 193 16.095 16.154 -4.563 1.00 0.00 H new ATOM 223 N ALA A 194 12.239 15.909 -2.657 1.00 0.00 N ATOM 224 CA ALA A 194 10.837 16.185 -2.971 1.00 0.00 C ATOM 225 C ALA A 194 10.380 15.191 -4.018 1.00 0.00 C ATOM 226 O ALA A 194 9.207 14.822 -4.097 1.00 0.00 O ATOM 227 CB ALA A 194 10.655 17.607 -3.484 1.00 0.00 C ATOM 0 H ALA A 194 12.654 15.191 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 194 10.239 16.086 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 194 9.603 17.781 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 194 10.985 18.314 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 194 11.247 17.746 -4.389 1.00 0.00 H new ATOM 233 N HIS A 195 11.354 14.753 -4.806 1.00 0.00 N ATOM 234 CA HIS A 195 11.149 13.772 -5.865 1.00 0.00 C ATOM 235 C HIS A 195 10.700 12.454 -5.246 1.00 0.00 C ATOM 236 O HIS A 195 9.941 11.697 -5.848 1.00 0.00 O ATOM 237 CB HIS A 195 12.484 13.601 -6.605 1.00 0.00 C ATOM 238 CG HIS A 195 12.433 12.881 -7.915 1.00 0.00 C ATOM 239 ND1 HIS A 195 13.552 12.709 -8.695 1.00 0.00 N ATOM 240 CD2 HIS A 195 11.417 12.296 -8.585 1.00 0.00 C ATOM 241 CE1 HIS A 195 13.228 12.052 -9.789 1.00 0.00 C ATOM 242 NE2 HIS A 195 11.935 11.787 -9.752 1.00 0.00 N ATOM 0 H HIS A 195 12.319 15.072 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 195 10.380 14.098 -6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 195 12.909 14.590 -6.776 1.00 0.00 H new ATOM 0 HB3 HIS A 195 13.172 13.068 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 195 10.388 12.239 -8.263 1.00 0.00 H new ATOM 0 HE1 HIS A 195 13.906 11.776 -10.583 1.00 0.00 H new ATOM 0 HE2 HIS A 195 11.409 11.288 -10.469 1.00 0.00 H new ATOM 251 N ASP A 196 11.178 12.209 -4.032 1.00 0.00 N ATOM 252 CA ASP A 196 10.848 11.001 -3.297 1.00 0.00 C ATOM 253 C ASP A 196 9.700 11.254 -2.330 1.00 0.00 C ATOM 254 O ASP A 196 9.407 12.401 -1.981 1.00 0.00 O ATOM 255 CB ASP A 196 12.071 10.532 -2.505 1.00 0.00 C ATOM 256 CG ASP A 196 13.341 10.587 -3.316 1.00 0.00 C ATOM 257 OD1 ASP A 196 13.444 9.857 -4.320 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.234 11.383 -2.962 1.00 0.00 O ATOM 0 H ASP A 196 11.803 12.842 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 196 10.547 10.236 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.184 11.153 -1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 196 11.907 9.511 -2.161 1.00 0.00 H new ATOM 263 N LEU A 197 9.077 10.178 -1.884 1.00 0.00 N ATOM 264 CA LEU A 197 7.978 10.258 -0.931 1.00 0.00 C ATOM 265 C LEU A 197 8.330 9.404 0.287 1.00 0.00 C ATOM 266 O LEU A 197 9.114 8.466 0.176 1.00 0.00 O ATOM 267 CB LEU A 197 6.669 9.785 -1.592 1.00 0.00 C ATOM 268 CG LEU A 197 5.378 10.466 -1.109 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.891 9.875 0.206 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.589 11.969 -0.974 1.00 0.00 C ATOM 0 H LEU A 197 9.315 9.228 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 197 7.827 11.289 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.754 9.937 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.572 8.712 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 197 4.607 10.284 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 197 3.977 10.381 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.690 8.812 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 197 5.657 10.008 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 197 4.666 12.437 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 197 6.383 12.162 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 197 5.869 12.385 -1.942 1.00 0.00 H new ATOM 282 N ARG A 198 7.780 9.738 1.447 1.00 0.00 N ATOM 283 CA ARG A 198 8.080 8.989 2.664 1.00 0.00 C ATOM 284 C ARG A 198 7.282 7.695 2.764 1.00 0.00 C ATOM 285 O ARG A 198 6.117 7.630 2.378 1.00 0.00 O ATOM 286 CB ARG A 198 7.827 9.838 3.908 1.00 0.00 C ATOM 287 CG ARG A 198 8.900 10.879 4.161 1.00 0.00 C ATOM 288 CD ARG A 198 8.814 11.414 5.580 1.00 0.00 C ATOM 289 NE ARG A 198 8.841 10.335 6.570 1.00 0.00 N ATOM 290 CZ ARG A 198 8.730 10.531 7.885 1.00 0.00 C ATOM 291 NH1 ARG A 198 8.630 11.765 8.366 1.00 0.00 N ATOM 292 NH2 ARG A 198 8.739 9.496 8.712 1.00 0.00 N ATOM 0 H ARG A 198 7.130 10.514 1.573 1.00 0.00 H new ATOM 0 HA ARG A 198 9.137 8.730 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 198 6.864 10.338 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.756 9.183 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 198 9.884 10.441 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 198 8.791 11.699 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 198 9.645 12.096 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 198 7.897 11.991 5.696 1.00 0.00 H new ATOM 0 HE ARG A 198 8.951 9.378 6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 198 8.638 12.562 7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 198 8.545 11.915 9.371 1.00 0.00 H new ATOM 0 HH21 ARG A 198 8.831 8.549 8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 198 8.654 9.646 9.717 1.00 0.00 H new ATOM 306 N LEU A 199 7.927 6.674 3.307 1.00 0.00 N ATOM 307 CA LEU A 199 7.310 5.372 3.494 1.00 0.00 C ATOM 308 C LEU A 199 7.431 4.948 4.949 1.00 0.00 C ATOM 309 O LEU A 199 8.451 5.209 5.591 1.00 0.00 O ATOM 310 CB LEU A 199 7.981 4.305 2.619 1.00 0.00 C ATOM 311 CG LEU A 199 7.621 4.308 1.134 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.234 5.494 0.420 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.077 3.011 0.494 1.00 0.00 C ATOM 0 H LEU A 199 8.893 6.726 3.630 1.00 0.00 H new ATOM 0 HA LEU A 199 6.262 5.459 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.061 4.423 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.733 3.325 3.027 1.00 0.00 H new ATOM 0 HG LEU A 199 6.538 4.393 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.959 5.466 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.866 6.418 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.319 5.453 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 199 7.818 3.017 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 199 9.157 2.911 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 199 7.584 2.171 0.983 1.00 0.00 H new ATOM 325 N GLU A 200 6.405 4.279 5.454 1.00 0.00 N ATOM 326 CA GLU A 200 6.406 3.785 6.825 1.00 0.00 C ATOM 327 C GLU A 200 5.757 2.406 6.858 1.00 0.00 C ATOM 328 O GLU A 200 5.190 1.961 5.864 1.00 0.00 O ATOM 329 CB GLU A 200 5.682 4.751 7.772 1.00 0.00 C ATOM 330 CG GLU A 200 6.273 6.153 7.808 1.00 0.00 C ATOM 331 CD GLU A 200 5.497 7.073 8.714 1.00 0.00 C ATOM 332 OE1 GLU A 200 4.283 7.235 8.490 1.00 0.00 O ATOM 333 OE2 GLU A 200 6.087 7.625 9.660 1.00 0.00 O ATOM 0 H GLU A 200 5.556 4.064 4.932 1.00 0.00 H new ATOM 0 HA GLU A 200 7.437 3.712 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 200 4.636 4.818 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 200 5.700 4.336 8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 200 7.308 6.101 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 200 6.287 6.566 6.799 1.00 0.00 H new ATOM 340 N ARG A 201 5.847 1.726 7.989 1.00 0.00 N ATOM 341 CA ARG A 201 5.275 0.392 8.116 1.00 0.00 C ATOM 342 C ARG A 201 3.810 0.447 8.546 1.00 0.00 C ATOM 343 O ARG A 201 3.506 0.264 9.729 1.00 0.00 O ATOM 344 CB ARG A 201 6.069 -0.415 9.146 1.00 0.00 C ATOM 345 CG ARG A 201 7.555 -0.534 8.836 1.00 0.00 C ATOM 346 CD ARG A 201 8.336 -1.033 10.045 1.00 0.00 C ATOM 347 NE ARG A 201 8.391 -0.033 11.120 1.00 0.00 N ATOM 348 CZ ARG A 201 8.855 -0.286 12.345 1.00 0.00 C ATOM 349 NH1 ARG A 201 9.185 -1.523 12.697 1.00 0.00 N ATOM 350 NH2 ARG A 201 8.971 0.701 13.228 1.00 0.00 N ATOM 0 H ARG A 201 6.308 2.072 8.830 1.00 0.00 H new ATOM 0 HA ARG A 201 5.329 -0.086 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.950 0.049 10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.642 -1.416 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.700 -1.218 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.942 0.436 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 201 7.874 -1.945 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 201 9.350 -1.292 9.739 1.00 0.00 H new ATOM 0 HE ARG A 201 8.055 0.909 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.084 -2.287 12.029 1.00 0.00 H new ATOM 0 HH12 ARG A 201 9.539 -1.709 13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 201 8.705 1.651 12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 201 9.326 0.508 14.165 1.00 0.00 H new ATOM 364 N GLY A 202 2.893 0.683 7.607 1.00 0.00 N ATOM 365 CA GLY A 202 1.491 0.723 7.990 1.00 0.00 C ATOM 366 C GLY A 202 0.548 1.328 6.962 1.00 0.00 C ATOM 367 O GLY A 202 -0.563 0.829 6.785 1.00 0.00 O ATOM 0 H GLY A 202 3.087 0.843 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.162 -0.294 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.402 1.290 8.917 1.00 0.00 H new ATOM 371 N GLN A 203 0.944 2.414 6.315 1.00 0.00 N ATOM 372 CA GLN A 203 0.063 3.065 5.349 1.00 0.00 C ATOM 373 C GLN A 203 0.113 2.429 3.960 1.00 0.00 C ATOM 374 O GLN A 203 1.087 1.774 3.581 1.00 0.00 O ATOM 375 CB GLN A 203 0.362 4.562 5.235 1.00 0.00 C ATOM 376 CG GLN A 203 1.776 4.883 4.801 1.00 0.00 C ATOM 377 CD GLN A 203 2.692 5.067 5.978 1.00 0.00 C ATOM 378 OE1 GLN A 203 2.962 4.127 6.723 1.00 0.00 O ATOM 379 NE2 GLN A 203 3.161 6.280 6.170 1.00 0.00 N ATOM 0 H GLN A 203 1.854 2.859 6.436 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.945 2.924 5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 203 -0.334 5.006 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.175 5.033 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.154 4.079 4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.774 5.790 4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.911 7.031 5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 203 3.775 6.470 6.962 1.00 0.00 H new ATOM 388 N GLU A 204 -0.954 2.663 3.209 1.00 0.00 N ATOM 389 CA GLU A 204 -1.099 2.168 1.847 1.00 0.00 C ATOM 390 C GLU A 204 -1.230 3.355 0.894 1.00 0.00 C ATOM 391 O GLU A 204 -1.787 4.389 1.263 1.00 0.00 O ATOM 392 CB GLU A 204 -2.326 1.262 1.751 1.00 0.00 C ATOM 393 CG GLU A 204 -3.556 1.841 2.433 1.00 0.00 C ATOM 394 CD GLU A 204 -4.750 0.918 2.381 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.646 -0.166 1.773 1.00 0.00 O ATOM 396 OE2 GLU A 204 -5.796 1.280 2.948 1.00 0.00 O ATOM 0 H GLU A 204 -1.753 3.208 3.532 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.221 1.585 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -2.553 1.080 0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.092 0.296 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -3.318 2.060 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -3.815 2.788 1.959 1.00 0.00 H new ATOM 403 N TYR A 205 -0.699 3.227 -0.312 1.00 0.00 N ATOM 404 CA TYR A 205 -0.748 4.321 -1.283 1.00 0.00 C ATOM 405 C TYR A 205 -1.435 3.912 -2.577 1.00 0.00 C ATOM 406 O TYR A 205 -1.718 2.747 -2.802 1.00 0.00 O ATOM 407 CB TYR A 205 0.666 4.806 -1.623 1.00 0.00 C ATOM 408 CG TYR A 205 1.443 5.384 -0.461 1.00 0.00 C ATOM 409 CD1 TYR A 205 2.076 4.563 0.465 1.00 0.00 C ATOM 410 CD2 TYR A 205 1.536 6.756 -0.290 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.781 5.097 1.526 1.00 0.00 C ATOM 412 CE2 TYR A 205 2.240 7.297 0.769 1.00 0.00 C ATOM 413 CZ TYR A 205 2.859 6.467 1.673 1.00 0.00 C ATOM 414 OH TYR A 205 3.549 7.007 2.736 1.00 0.00 O ATOM 0 H TYR A 205 -0.231 2.384 -0.645 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.324 5.120 -0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.230 3.970 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.596 5.562 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 205 2.016 3.491 0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 205 1.050 7.413 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 205 3.268 4.446 2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 205 2.304 8.369 0.886 1.00 0.00 H new ATOM 0 HH TYR A 205 4.407 7.361 2.423 1.00 0.00 H new ATOM 424 N ILE A 206 -1.667 4.892 -3.439 1.00 0.00 N ATOM 425 CA ILE A 206 -2.279 4.661 -4.743 1.00 0.00 C ATOM 426 C ILE A 206 -1.326 5.213 -5.798 1.00 0.00 C ATOM 427 O ILE A 206 -1.226 6.425 -5.957 1.00 0.00 O ATOM 428 CB ILE A 206 -3.652 5.372 -4.880 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.512 5.192 -3.623 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.400 4.848 -6.095 1.00 0.00 C ATOM 431 CD1 ILE A 206 -4.251 6.219 -2.541 1.00 0.00 C ATOM 0 H ILE A 206 -1.437 5.869 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.454 3.592 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.457 6.437 -5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.564 5.238 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.335 4.197 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.361 5.356 -6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.812 5.036 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.565 3.776 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.899 6.021 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -3.209 6.160 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -4.457 7.217 -2.929 1.00 0.00 H new ATOM 443 N ILE A 207 -0.577 4.344 -6.470 1.00 0.00 N ATOM 444 CA ILE A 207 0.415 4.806 -7.440 1.00 0.00 C ATOM 445 C ILE A 207 -0.188 5.636 -8.576 1.00 0.00 C ATOM 446 O ILE A 207 -1.321 5.414 -9.011 1.00 0.00 O ATOM 447 CB ILE A 207 1.264 3.659 -8.033 1.00 0.00 C ATOM 448 CG1 ILE A 207 0.648 3.089 -9.306 1.00 0.00 C ATOM 449 CG2 ILE A 207 1.454 2.560 -7.010 1.00 0.00 C ATOM 450 CD1 ILE A 207 1.554 2.105 -10.011 1.00 0.00 C ATOM 0 H ILE A 207 -0.634 3.331 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 207 1.072 5.454 -6.859 1.00 0.00 H new ATOM 0 HB ILE A 207 2.235 4.079 -8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -0.292 2.596 -9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 207 0.410 3.907 -9.986 1.00 0.00 H new ATOM 0 HG21 ILE A 207 2.054 1.760 -7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 207 1.963 2.962 -6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 207 0.482 2.166 -6.715 1.00 0.00 H new ATOM 0 HD11 ILE A 207 1.060 1.735 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 207 2.485 2.601 -10.287 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.771 1.269 -9.346 1.00 0.00 H new ATOM 462 N LEU A 208 0.602 6.588 -9.056 1.00 0.00 N ATOM 463 CA LEU A 208 0.209 7.461 -10.150 1.00 0.00 C ATOM 464 C LEU A 208 0.990 7.064 -11.385 1.00 0.00 C ATOM 465 O LEU A 208 0.449 6.992 -12.486 1.00 0.00 O ATOM 466 CB LEU A 208 0.511 8.949 -9.858 1.00 0.00 C ATOM 467 CG LEU A 208 0.090 9.505 -8.495 1.00 0.00 C ATOM 468 CD1 LEU A 208 -1.286 9.005 -8.100 1.00 0.00 C ATOM 469 CD2 LEU A 208 1.111 9.155 -7.439 1.00 0.00 C ATOM 0 H LEU A 208 1.537 6.776 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 208 -0.867 7.352 -10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.585 9.101 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 208 0.026 9.548 -10.629 1.00 0.00 H new ATOM 0 HG LEU A 208 0.039 10.591 -8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 208 -1.557 9.417 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 208 -2.016 9.322 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 208 -1.275 7.917 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 208 0.793 9.559 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 208 1.201 8.071 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 208 2.076 9.582 -7.711 1.00 0.00 H new ATOM 481 N GLU A 209 2.280 6.818 -11.186 1.00 0.00 N ATOM 482 CA GLU A 209 3.167 6.445 -12.276 1.00 0.00 C ATOM 483 C GLU A 209 3.924 5.163 -11.954 1.00 0.00 C ATOM 484 O GLU A 209 4.159 4.845 -10.787 1.00 0.00 O ATOM 485 CB GLU A 209 4.173 7.567 -12.535 1.00 0.00 C ATOM 486 CG GLU A 209 3.536 8.907 -12.870 1.00 0.00 C ATOM 487 CD GLU A 209 2.981 8.949 -14.273 1.00 0.00 C ATOM 488 OE1 GLU A 209 3.763 8.763 -15.222 1.00 0.00 O ATOM 489 OE2 GLU A 209 1.766 9.175 -14.427 1.00 0.00 O ATOM 0 H GLU A 209 2.734 6.871 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 209 2.556 6.278 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.803 7.686 -11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.827 7.272 -13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 209 2.735 9.113 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 209 4.277 9.697 -12.752 1.00 0.00 H new ATOM 496 N LYS A 210 4.323 4.445 -12.990 1.00 0.00 N ATOM 497 CA LYS A 210 5.075 3.212 -12.815 1.00 0.00 C ATOM 498 C LYS A 210 6.301 3.204 -13.725 1.00 0.00 C ATOM 499 O LYS A 210 6.204 2.873 -14.907 1.00 0.00 O ATOM 500 CB LYS A 210 4.197 1.994 -13.121 1.00 0.00 C ATOM 501 CG LYS A 210 4.857 0.664 -12.779 1.00 0.00 C ATOM 502 CD LYS A 210 4.002 -0.518 -13.213 1.00 0.00 C ATOM 503 CE LYS A 210 3.985 -0.669 -14.728 1.00 0.00 C ATOM 504 NZ LYS A 210 3.100 -1.778 -15.167 1.00 0.00 N ATOM 0 H LYS A 210 4.139 4.694 -13.962 1.00 0.00 H new ATOM 0 HA LYS A 210 5.400 3.158 -11.776 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.264 2.080 -12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 210 3.938 2.000 -14.180 1.00 0.00 H new ATOM 0 HG2 LYS A 210 5.831 0.606 -13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 210 5.033 0.611 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 210 4.386 -1.432 -12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 210 2.984 -0.385 -12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 210 3.649 0.264 -15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 210 4.999 -0.851 -15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 3.118 -1.846 -16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 3.434 -2.673 -14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 2.127 -1.593 -14.849 1.00 0.00 H new ATOM 518 N ASN A 211 7.452 3.554 -13.172 1.00 0.00 N ATOM 519 CA ASN A 211 8.695 3.563 -13.937 1.00 0.00 C ATOM 520 C ASN A 211 9.461 2.284 -13.658 1.00 0.00 C ATOM 521 O ASN A 211 10.302 2.238 -12.753 1.00 0.00 O ATOM 522 CB ASN A 211 9.552 4.777 -13.573 1.00 0.00 C ATOM 523 CG ASN A 211 10.772 4.921 -14.465 1.00 0.00 C ATOM 524 OD1 ASN A 211 10.654 5.093 -15.680 1.00 0.00 O ATOM 525 ND2 ASN A 211 11.951 4.854 -13.866 1.00 0.00 N ATOM 0 H ASN A 211 7.554 3.836 -12.197 1.00 0.00 H new ATOM 0 HA ASN A 211 8.455 3.626 -14.998 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.945 5.680 -13.645 1.00 0.00 H new ATOM 0 HB3 ASN A 211 9.874 4.692 -12.535 1.00 0.00 H new ATOM 0 HD21 ASN A 211 12.807 4.946 -14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 211 12.003 4.711 -12.857 1.00 0.00 H new ATOM 532 N ASP A 212 9.133 1.241 -14.421 1.00 0.00 N ATOM 533 CA ASP A 212 9.747 -0.076 -14.267 1.00 0.00 C ATOM 534 C ASP A 212 9.389 -0.669 -12.911 1.00 0.00 C ATOM 535 O ASP A 212 8.514 -0.157 -12.209 1.00 0.00 O ATOM 536 CB ASP A 212 11.270 -0.008 -14.436 1.00 0.00 C ATOM 537 CG ASP A 212 11.673 0.497 -15.800 1.00 0.00 C ATOM 538 OD1 ASP A 212 11.237 -0.096 -16.803 1.00 0.00 O ATOM 539 OD2 ASP A 212 12.426 1.486 -15.869 1.00 0.00 O ATOM 0 H ASP A 212 8.434 1.286 -15.163 1.00 0.00 H new ATOM 0 HA ASP A 212 9.354 -0.723 -15.052 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.689 0.645 -13.671 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.696 -0.999 -14.278 1.00 0.00 H new ATOM 544 N LEU A 213 10.065 -1.741 -12.537 1.00 0.00 N ATOM 545 CA LEU A 213 9.818 -2.387 -11.253 1.00 0.00 C ATOM 546 C LEU A 213 10.748 -1.812 -10.193 1.00 0.00 C ATOM 547 O LEU A 213 11.108 -2.489 -9.230 1.00 0.00 O ATOM 548 CB LEU A 213 10.003 -3.913 -11.346 1.00 0.00 C ATOM 549 CG LEU A 213 10.595 -4.449 -12.660 1.00 0.00 C ATOM 550 CD1 LEU A 213 11.140 -5.850 -12.460 1.00 0.00 C ATOM 551 CD2 LEU A 213 9.553 -4.446 -13.773 1.00 0.00 C ATOM 0 H LEU A 213 10.789 -2.185 -13.101 1.00 0.00 H new ATOM 0 HA LEU A 213 8.783 -2.191 -10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 213 10.647 -4.230 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 213 9.033 -4.385 -11.190 1.00 0.00 H new ATOM 0 HG LEU A 213 11.411 -3.789 -12.955 1.00 0.00 H new ATOM 0 HD11 LEU A 213 11.556 -6.216 -13.399 1.00 0.00 H new ATOM 0 HD12 LEU A 213 11.921 -5.831 -11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 213 10.335 -6.511 -12.137 1.00 0.00 H new ATOM 0 HD21 LEU A 213 9.999 -4.830 -14.690 1.00 0.00 H new ATOM 0 HD22 LEU A 213 8.713 -5.078 -13.486 1.00 0.00 H new ATOM 0 HD23 LEU A 213 9.201 -3.428 -13.939 1.00 0.00 H new ATOM 563 N HIS A 214 11.157 -0.563 -10.390 1.00 0.00 N ATOM 564 CA HIS A 214 12.073 0.097 -9.470 1.00 0.00 C ATOM 565 C HIS A 214 11.461 1.350 -8.849 1.00 0.00 C ATOM 566 O HIS A 214 11.356 1.458 -7.627 1.00 0.00 O ATOM 567 CB HIS A 214 13.368 0.466 -10.202 1.00 0.00 C ATOM 568 CG HIS A 214 14.105 -0.715 -10.759 1.00 0.00 C ATOM 569 ND1 HIS A 214 14.653 -1.697 -9.965 1.00 0.00 N ATOM 570 CD2 HIS A 214 14.373 -1.075 -12.036 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.227 -2.612 -10.725 1.00 0.00 C ATOM 572 NE2 HIS A 214 15.069 -2.260 -11.990 1.00 0.00 N ATOM 0 H HIS A 214 10.867 0.013 -11.181 1.00 0.00 H new ATOM 0 HA HIS A 214 12.286 -0.603 -8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.132 1.152 -11.016 1.00 0.00 H new ATOM 0 HB3 HIS A 214 14.024 1.000 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 214 14.092 -0.532 -12.926 1.00 0.00 H new ATOM 0 HE1 HIS A 214 15.738 -3.496 -10.374 1.00 0.00 H new ATOM 0 HE2 HIS A 214 15.408 -2.782 -12.798 1.00 0.00 H new ATOM 581 N TRP A 215 11.082 2.307 -9.689 1.00 0.00 N ATOM 582 CA TRP A 215 10.509 3.560 -9.200 1.00 0.00 C ATOM 583 C TRP A 215 9.011 3.642 -9.465 1.00 0.00 C ATOM 584 O TRP A 215 8.568 3.704 -10.609 1.00 0.00 O ATOM 585 CB TRP A 215 11.219 4.755 -9.837 1.00 0.00 C ATOM 586 CG TRP A 215 12.636 4.904 -9.379 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.751 4.327 -9.914 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.076 5.655 -8.250 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.864 4.709 -9.201 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.472 5.519 -8.167 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.418 6.436 -7.310 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.218 6.142 -7.172 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.150 7.049 -6.324 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.539 6.901 -6.258 1.00 0.00 C ATOM 0 H TRP A 215 11.159 2.242 -10.704 1.00 0.00 H new ATOM 0 HA TRP A 215 10.657 3.585 -8.120 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.203 4.645 -10.921 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.669 5.666 -9.601 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.759 3.668 -10.770 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.824 4.434 -9.408 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.346 6.560 -7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.291 6.031 -7.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.645 7.656 -5.587 1.00 0.00 H new ATOM 0 HH2 TRP A 215 15.087 7.396 -5.470 1.00 0.00 H new ATOM 605 N TRP A 216 8.239 3.653 -8.391 1.00 0.00 N ATOM 606 CA TRP A 216 6.786 3.739 -8.474 1.00 0.00 C ATOM 607 C TRP A 216 6.294 4.992 -7.772 1.00 0.00 C ATOM 608 O TRP A 216 6.372 5.087 -6.554 1.00 0.00 O ATOM 609 CB TRP A 216 6.149 2.522 -7.801 1.00 0.00 C ATOM 610 CG TRP A 216 6.075 1.295 -8.653 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.960 0.885 -9.607 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.069 0.280 -8.576 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.545 -0.304 -10.151 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.387 -0.701 -9.531 1.00 0.00 C ATOM 615 CE3 TRP A 216 3.929 0.117 -7.794 1.00 0.00 C ATOM 616 CZ2 TRP A 216 4.599 -1.832 -9.724 1.00 0.00 C ATOM 617 CZ3 TRP A 216 3.150 -1.004 -7.979 1.00 0.00 C ATOM 618 CH2 TRP A 216 3.489 -1.969 -8.936 1.00 0.00 C ATOM 0 H TRP A 216 8.599 3.603 -7.438 1.00 0.00 H new ATOM 0 HA TRP A 216 6.505 3.771 -9.527 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.715 2.287 -6.900 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.140 2.787 -7.484 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.855 1.418 -9.892 1.00 0.00 H new ATOM 0 HE1 TRP A 216 7.021 -0.812 -10.897 1.00 0.00 H new ATOM 0 HE3 TRP A 216 3.660 0.857 -7.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 4.854 -2.573 -10.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.264 -1.141 -7.377 1.00 0.00 H new ATOM 0 HH2 TRP A 216 2.861 -2.840 -9.054 1.00 0.00 H new ATOM 629 N ARG A 217 5.760 5.947 -8.514 1.00 0.00 N ATOM 630 CA ARG A 217 5.246 7.151 -7.884 1.00 0.00 C ATOM 631 C ARG A 217 3.880 6.837 -7.314 1.00 0.00 C ATOM 632 O ARG A 217 2.978 6.484 -8.066 1.00 0.00 O ATOM 633 CB ARG A 217 5.157 8.312 -8.882 1.00 0.00 C ATOM 634 CG ARG A 217 4.777 9.635 -8.234 1.00 0.00 C ATOM 635 CD ARG A 217 4.924 10.816 -9.179 1.00 0.00 C ATOM 636 NE ARG A 217 6.302 11.034 -9.621 1.00 0.00 N ATOM 637 CZ ARG A 217 6.614 11.692 -10.739 1.00 0.00 C ATOM 638 NH1 ARG A 217 5.651 12.124 -11.543 1.00 0.00 N ATOM 639 NH2 ARG A 217 7.881 11.923 -11.043 1.00 0.00 N ATOM 0 H ARG A 217 5.672 5.916 -9.530 1.00 0.00 H new ATOM 0 HA ARG A 217 5.926 7.464 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.118 8.424 -9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.423 8.067 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 217 3.746 9.581 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.402 9.798 -7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 217 4.291 10.656 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.562 11.717 -8.683 1.00 0.00 H new ATOM 0 HE ARG A 217 7.060 10.665 -9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 217 4.674 11.953 -11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 217 5.888 12.627 -12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 217 8.622 11.598 -10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 217 8.117 12.426 -11.898 1.00 0.00 H new ATOM 653 N ALA A 218 3.730 6.933 -5.999 1.00 0.00 N ATOM 654 CA ALA A 218 2.449 6.614 -5.371 1.00 0.00 C ATOM 655 C ALA A 218 1.881 7.798 -4.614 1.00 0.00 C ATOM 656 O ALA A 218 2.615 8.668 -4.162 1.00 0.00 O ATOM 657 CB ALA A 218 2.588 5.404 -4.464 1.00 0.00 C ATOM 0 H ALA A 218 4.464 7.224 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 218 1.743 6.373 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.625 5.181 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.918 4.546 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.321 5.615 -3.685 1.00 0.00 H new ATOM 663 N ARG A 219 0.552 7.835 -4.533 1.00 0.00 N ATOM 664 CA ARG A 219 -0.167 8.933 -3.897 1.00 0.00 C ATOM 665 C ARG A 219 -0.767 8.541 -2.550 1.00 0.00 C ATOM 666 O ARG A 219 -1.123 7.389 -2.319 1.00 0.00 O ATOM 667 CB ARG A 219 -1.275 9.396 -4.847 1.00 0.00 C ATOM 668 CG ARG A 219 -1.781 10.816 -4.650 1.00 0.00 C ATOM 669 CD ARG A 219 -3.006 10.875 -3.746 1.00 0.00 C ATOM 670 NE ARG A 219 -3.952 9.771 -3.977 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.579 9.519 -5.134 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.348 10.269 -6.202 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.429 8.510 -5.218 1.00 0.00 N ATOM 0 H ARG A 219 -0.054 7.105 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 219 0.542 9.737 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.910 9.302 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -2.120 8.715 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.986 11.426 -4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -2.027 11.249 -5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -2.683 10.856 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -3.520 11.824 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 219 -4.146 9.148 -3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.688 11.045 -6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -4.830 10.070 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.607 7.924 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -5.907 8.318 -6.098 1.00 0.00 H new ATOM 687 N ASP A 220 -0.886 9.534 -1.679 1.00 0.00 N ATOM 688 CA ASP A 220 -1.450 9.359 -0.351 1.00 0.00 C ATOM 689 C ASP A 220 -2.475 10.446 -0.078 1.00 0.00 C ATOM 690 O ASP A 220 -3.606 10.164 0.317 1.00 0.00 O ATOM 691 CB ASP A 220 -0.358 9.429 0.716 1.00 0.00 C ATOM 692 CG ASP A 220 -0.926 9.461 2.116 1.00 0.00 C ATOM 693 OD1 ASP A 220 -1.670 8.531 2.474 1.00 0.00 O ATOM 694 OD2 ASP A 220 -0.636 10.418 2.857 1.00 0.00 O ATOM 0 H ASP A 220 -0.591 10.490 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 220 -1.925 8.379 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 220 0.303 8.568 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 220 0.250 10.319 0.553 1.00 0.00 H new ATOM 699 N LYS A 221 -2.059 11.693 -0.270 1.00 0.00 N ATOM 700 CA LYS A 221 -2.925 12.833 -0.026 1.00 0.00 C ATOM 701 C LYS A 221 -3.731 13.198 -1.267 1.00 0.00 C ATOM 702 O LYS A 221 -4.743 12.563 -1.568 1.00 0.00 O ATOM 703 CB LYS A 221 -2.104 14.048 0.423 1.00 0.00 C ATOM 704 CG LYS A 221 -1.249 13.804 1.649 1.00 0.00 C ATOM 705 CD LYS A 221 -0.610 15.094 2.123 1.00 0.00 C ATOM 706 CE LYS A 221 0.065 14.921 3.468 1.00 0.00 C ATOM 707 NZ LYS A 221 1.118 13.872 3.441 1.00 0.00 N ATOM 0 H LYS A 221 -1.123 11.937 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 221 -3.618 12.549 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -1.459 14.360 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -2.783 14.876 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -1.860 13.381 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -0.475 13.072 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 221 0.122 15.429 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -1.370 15.872 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 221 0.508 15.869 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -0.683 14.662 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 1.631 13.871 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 0.678 12.942 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 1.784 14.068 2.666 1.00 0.00 H new ATOM 721 N TYR A 222 -3.296 14.247 -1.963 1.00 0.00 N ATOM 722 CA TYR A 222 -3.999 14.723 -3.145 1.00 0.00 C ATOM 723 C TYR A 222 -3.072 15.484 -4.096 1.00 0.00 C ATOM 724 O TYR A 222 -3.500 16.415 -4.778 1.00 0.00 O ATOM 725 CB TYR A 222 -5.157 15.633 -2.716 1.00 0.00 C ATOM 726 CG TYR A 222 -4.731 16.882 -1.961 1.00 0.00 C ATOM 727 CD1 TYR A 222 -4.090 16.808 -0.725 1.00 0.00 C ATOM 728 CD2 TYR A 222 -4.983 18.140 -2.490 1.00 0.00 C ATOM 729 CE1 TYR A 222 -3.717 17.950 -0.046 1.00 0.00 C ATOM 730 CE2 TYR A 222 -4.611 19.284 -1.817 1.00 0.00 C ATOM 731 CZ TYR A 222 -3.981 19.185 -0.597 1.00 0.00 C ATOM 732 OH TYR A 222 -3.614 20.326 0.079 1.00 0.00 O ATOM 0 H TYR A 222 -2.460 14.781 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 222 -4.379 13.853 -3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -5.715 15.933 -3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -5.840 15.060 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.882 15.841 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.479 18.224 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -3.222 17.876 0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -4.813 20.255 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 222 -3.870 21.113 -0.445 1.00 0.00 H new ATOM 742 N GLY A 223 -1.810 15.088 -4.158 1.00 0.00 N ATOM 743 CA GLY A 223 -0.886 15.769 -5.050 1.00 0.00 C ATOM 744 C GLY A 223 0.422 16.145 -4.382 1.00 0.00 C ATOM 745 O GLY A 223 1.272 16.788 -4.991 1.00 0.00 O ATOM 0 H GLY A 223 -1.411 14.321 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -0.678 15.127 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -1.362 16.671 -5.436 1.00 0.00 H new ATOM 749 N SER A 224 0.593 15.734 -3.135 1.00 0.00 N ATOM 750 CA SER A 224 1.818 16.012 -2.390 1.00 0.00 C ATOM 751 C SER A 224 2.662 14.747 -2.342 1.00 0.00 C ATOM 752 O SER A 224 3.352 14.468 -1.360 1.00 0.00 O ATOM 753 CB SER A 224 1.476 16.466 -0.968 1.00 0.00 C ATOM 754 OG SER A 224 0.782 17.706 -0.968 1.00 0.00 O ATOM 0 H SER A 224 -0.104 15.203 -2.612 1.00 0.00 H new ATOM 0 HA SER A 224 2.375 16.808 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 224 0.865 15.706 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.392 16.561 -0.385 1.00 0.00 H new ATOM 0 HG SER A 224 0.577 17.966 -0.046 1.00 0.00 H new ATOM 760 N GLU A 225 2.544 13.959 -3.398 1.00 0.00 N ATOM 761 CA GLU A 225 3.222 12.678 -3.487 1.00 0.00 C ATOM 762 C GLU A 225 4.366 12.681 -4.492 1.00 0.00 C ATOM 763 O GLU A 225 4.650 13.700 -5.119 1.00 0.00 O ATOM 764 CB GLU A 225 2.200 11.620 -3.850 1.00 0.00 C ATOM 765 CG GLU A 225 1.260 11.279 -2.706 1.00 0.00 C ATOM 766 CD GLU A 225 0.398 12.432 -2.243 1.00 0.00 C ATOM 767 OE1 GLU A 225 -0.353 12.983 -3.065 1.00 0.00 O ATOM 768 OE2 GLU A 225 0.466 12.776 -1.052 1.00 0.00 O ATOM 0 H GLU A 225 1.977 14.189 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 225 3.673 12.463 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 225 1.615 11.966 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 225 2.719 10.716 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.613 10.458 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 225 1.849 10.920 -1.862 1.00 0.00 H new ATOM 775 N GLY A 226 5.019 11.526 -4.644 1.00 0.00 N ATOM 776 CA GLY A 226 6.128 11.414 -5.569 1.00 0.00 C ATOM 777 C GLY A 226 6.641 9.988 -5.711 1.00 0.00 C ATOM 778 O GLY A 226 6.001 9.035 -5.243 1.00 0.00 O ATOM 0 H GLY A 226 4.795 10.668 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 226 5.817 11.782 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.942 12.055 -5.231 1.00 0.00 H new ATOM 782 N TYR A 227 7.784 9.848 -6.383 1.00 0.00 N ATOM 783 CA TYR A 227 8.413 8.545 -6.621 1.00 0.00 C ATOM 784 C TYR A 227 8.678 7.779 -5.328 1.00 0.00 C ATOM 785 O TYR A 227 9.060 8.348 -4.306 1.00 0.00 O ATOM 786 CB TYR A 227 9.733 8.713 -7.387 1.00 0.00 C ATOM 787 CG TYR A 227 9.610 8.544 -8.887 1.00 0.00 C ATOM 788 CD1 TYR A 227 8.387 8.268 -9.480 1.00 0.00 C ATOM 789 CD2 TYR A 227 10.724 8.654 -9.708 1.00 0.00 C ATOM 790 CE1 TYR A 227 8.277 8.107 -10.848 1.00 0.00 C ATOM 791 CE2 TYR A 227 10.622 8.493 -11.075 1.00 0.00 C ATOM 792 CZ TYR A 227 9.398 8.222 -11.640 1.00 0.00 C ATOM 793 OH TYR A 227 9.299 8.063 -13.003 1.00 0.00 O ATOM 0 H TYR A 227 8.301 10.633 -6.778 1.00 0.00 H new ATOM 0 HA TYR A 227 7.708 7.966 -7.217 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.138 9.703 -7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.453 7.987 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 227 7.506 8.177 -8.862 1.00 0.00 H new ATOM 0 HD2 TYR A 227 11.687 8.869 -9.269 1.00 0.00 H new ATOM 0 HE1 TYR A 227 7.317 7.892 -11.294 1.00 0.00 H new ATOM 0 HE2 TYR A 227 11.500 8.579 -11.698 1.00 0.00 H new ATOM 0 HH TYR A 227 10.183 8.177 -13.411 1.00 0.00 H new ATOM 803 N ILE A 228 8.463 6.478 -5.400 1.00 0.00 N ATOM 804 CA ILE A 228 8.653 5.586 -4.275 1.00 0.00 C ATOM 805 C ILE A 228 9.352 4.318 -4.732 1.00 0.00 C ATOM 806 O ILE A 228 8.962 3.727 -5.739 1.00 0.00 O ATOM 807 CB ILE A 228 7.289 5.190 -3.667 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.599 6.405 -3.045 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.440 4.072 -2.647 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.310 6.071 -2.330 1.00 0.00 C ATOM 0 H ILE A 228 8.149 6.009 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 228 9.256 6.104 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 228 6.661 4.817 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.283 6.879 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.392 7.134 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.462 3.818 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.871 3.195 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 228 8.095 4.401 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.878 6.981 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.608 5.625 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.513 5.366 -1.524 1.00 0.00 H new ATOM 822 N PRO A 229 10.367 3.845 -3.997 1.00 0.00 N ATOM 823 CA PRO A 229 11.032 2.613 -4.356 1.00 0.00 C ATOM 824 C PRO A 229 10.132 1.431 -4.050 1.00 0.00 C ATOM 825 O PRO A 229 10.039 1.000 -2.899 1.00 0.00 O ATOM 826 CB PRO A 229 12.284 2.561 -3.480 1.00 0.00 C ATOM 827 CG PRO A 229 12.117 3.614 -2.425 1.00 0.00 C ATOM 828 CD PRO A 229 10.898 4.441 -2.762 1.00 0.00 C ATOM 0 HA PRO A 229 11.275 2.572 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.399 1.576 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.179 2.746 -4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 229 12.002 3.153 -1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 229 13.003 4.247 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.162 4.406 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.160 5.489 -2.910 1.00 0.00 H new ATOM 836 N SER A 230 9.447 0.932 -5.074 1.00 0.00 N ATOM 837 CA SER A 230 8.525 -0.200 -4.933 1.00 0.00 C ATOM 838 C SER A 230 9.210 -1.399 -4.268 1.00 0.00 C ATOM 839 O SER A 230 8.547 -2.314 -3.783 1.00 0.00 O ATOM 840 CB SER A 230 7.979 -0.597 -6.308 1.00 0.00 C ATOM 841 OG SER A 230 6.859 -1.458 -6.195 1.00 0.00 O ATOM 0 H SER A 230 9.512 1.297 -6.024 1.00 0.00 H new ATOM 0 HA SER A 230 7.700 0.109 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.696 0.299 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 230 8.762 -1.091 -6.883 1.00 0.00 H new ATOM 0 HG SER A 230 6.150 -1.153 -6.798 1.00 0.00 H new ATOM 847 N ASN A 231 10.542 -1.370 -4.215 1.00 0.00 N ATOM 848 CA ASN A 231 11.308 -2.428 -3.572 1.00 0.00 C ATOM 849 C ASN A 231 11.034 -2.442 -2.069 1.00 0.00 C ATOM 850 O ASN A 231 11.350 -3.407 -1.372 1.00 0.00 O ATOM 851 CB ASN A 231 12.813 -2.244 -3.817 1.00 0.00 C ATOM 852 CG ASN A 231 13.173 -2.286 -5.288 1.00 0.00 C ATOM 853 OD1 ASN A 231 12.845 -1.371 -6.045 1.00 0.00 O ATOM 854 ND2 ASN A 231 13.844 -3.351 -5.707 1.00 0.00 N ATOM 0 H ASN A 231 11.110 -0.622 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 231 10.997 -3.378 -4.006 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.132 -1.291 -3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.361 -3.025 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.107 -3.434 -6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.096 -4.087 -5.047 1.00 0.00 H new ATOM 861 N TYR A 232 10.449 -1.353 -1.578 1.00 0.00 N ATOM 862 CA TYR A 232 10.130 -1.213 -0.166 1.00 0.00 C ATOM 863 C TYR A 232 8.632 -1.371 0.086 1.00 0.00 C ATOM 864 O TYR A 232 8.171 -1.229 1.220 1.00 0.00 O ATOM 865 CB TYR A 232 10.577 0.162 0.351 1.00 0.00 C ATOM 866 CG TYR A 232 12.077 0.361 0.438 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.966 -0.610 -0.002 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.603 1.534 0.971 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.329 -0.423 0.087 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.965 1.728 1.064 1.00 0.00 C ATOM 871 CZ TYR A 232 14.824 0.747 0.622 1.00 0.00 C ATOM 872 OH TYR A 232 16.183 0.936 0.719 1.00 0.00 O ATOM 0 H TYR A 232 10.185 -0.548 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 232 10.663 -2.001 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.162 0.930 -0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.148 0.318 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.583 -1.529 -0.422 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.932 2.306 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 232 15.006 -1.190 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.356 2.644 1.481 1.00 0.00 H new ATOM 0 HH TYR A 232 16.364 1.813 1.117 1.00 0.00 H new ATOM 882 N VAL A 233 7.864 -1.649 -0.959 1.00 0.00 N ATOM 883 CA VAL A 233 6.427 -1.804 -0.798 1.00 0.00 C ATOM 884 C VAL A 233 5.939 -3.160 -1.297 1.00 0.00 C ATOM 885 O VAL A 233 6.716 -4.003 -1.753 1.00 0.00 O ATOM 886 CB VAL A 233 5.625 -0.685 -1.512 1.00 0.00 C ATOM 887 CG1 VAL A 233 5.987 0.683 -0.959 1.00 0.00 C ATOM 888 CG2 VAL A 233 5.844 -0.720 -3.013 1.00 0.00 C ATOM 0 H VAL A 233 8.206 -1.770 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 233 6.247 -1.731 0.275 1.00 0.00 H new ATOM 0 HB VAL A 233 4.568 -0.868 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.410 1.449 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.760 0.716 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.051 0.866 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.268 0.077 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.903 -0.579 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.519 -1.683 -3.406 1.00 0.00 H new ATOM 898 N THR A 234 4.637 -3.341 -1.185 1.00 0.00 N ATOM 899 CA THR A 234 3.941 -4.554 -1.582 1.00 0.00 C ATOM 900 C THR A 234 2.538 -4.153 -2.028 1.00 0.00 C ATOM 901 O THR A 234 2.186 -2.983 -1.923 1.00 0.00 O ATOM 902 CB THR A 234 3.897 -5.510 -0.372 1.00 0.00 C ATOM 903 OG1 THR A 234 5.206 -5.748 0.119 1.00 0.00 O ATOM 904 CG2 THR A 234 3.280 -6.863 -0.652 1.00 0.00 C ATOM 0 H THR A 234 4.014 -2.628 -0.804 1.00 0.00 H new ATOM 0 HA THR A 234 4.444 -5.066 -2.402 1.00 0.00 H new ATOM 0 HB THR A 234 3.265 -4.996 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 234 5.162 -6.355 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.294 -7.464 0.257 1.00 0.00 H new ATOM 0 HG22 THR A 234 2.250 -6.732 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 234 3.851 -7.369 -1.430 1.00 0.00 H new ATOM 912 N GLY A 235 1.722 -5.094 -2.492 1.00 0.00 N ATOM 913 CA GLY A 235 0.367 -4.748 -2.871 1.00 0.00 C ATOM 914 C GLY A 235 -0.456 -4.618 -1.623 1.00 0.00 C ATOM 915 O GLY A 235 -0.004 -4.013 -0.662 1.00 0.00 O ATOM 0 H GLY A 235 1.971 -6.076 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.357 -3.813 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -0.052 -5.514 -3.523 1.00 0.00 H new ATOM 919 N LYS A 236 -1.629 -5.197 -1.575 1.00 0.00 N ATOM 920 CA LYS A 236 -2.405 -5.107 -0.354 1.00 0.00 C ATOM 921 C LYS A 236 -2.024 -6.244 0.590 1.00 0.00 C ATOM 922 O LYS A 236 -2.888 -6.996 1.050 1.00 0.00 O ATOM 923 CB LYS A 236 -3.902 -5.131 -0.632 1.00 0.00 C ATOM 924 CG LYS A 236 -4.401 -4.005 -1.519 1.00 0.00 C ATOM 925 CD LYS A 236 -5.895 -4.142 -1.756 1.00 0.00 C ATOM 926 CE LYS A 236 -6.468 -2.931 -2.467 1.00 0.00 C ATOM 927 NZ LYS A 236 -7.939 -3.038 -2.657 1.00 0.00 N ATOM 0 H LYS A 236 -2.061 -5.720 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.175 -4.152 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -4.156 -6.083 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -4.435 -5.090 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -4.187 -3.043 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.872 -4.022 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -6.088 -5.036 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -6.403 -4.277 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -6.242 -2.033 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -5.985 -2.819 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -8.288 -2.190 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -8.155 -3.880 -3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -8.404 -3.119 -1.730 1.00 0.00 H new