USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 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 211 ASN : amide:sc= 0.152 K(o=0.3,f=1.1) USER MOD Set 1.2: A 227 TYR OH : rot 180:sc= 0.15 USER MOD Single : A 186 MET CE :methyl 169:sc= 0 (180deg=-0.251) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc=-0.00421 X(o=-0.0042,f=-0.041) USER MOD Single : A 192 THR OG1 : rot -92:sc= 1.2 USER MOD Single : A 195 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-1.2) USER MOD Single : A 203 GLN : amide:sc= -0.0543 X(o=-0.054,f=-0.49) USER MOD Single : A 205 TYR OH : rot -103:sc= 1.22 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 159:sc= -0.0443 (180deg=-0.391) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 160:sc= 0 USER MOD Single : A 230 SER OG : rot -135:sc= 1.6 USER MOD Single : A 231 ASN : amide:sc= -0.957 K(o=-0.96,f=-2.1!) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 236 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0474) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.289 -0.104 -4.429 1.00 0.00 N ATOM 37 CA ILE A 182 -2.751 0.314 -3.150 1.00 0.00 C ATOM 38 C ILE A 182 -1.313 -0.146 -2.966 1.00 0.00 C ATOM 39 O ILE A 182 -1.038 -1.337 -2.836 1.00 0.00 O ATOM 40 CB ILE A 182 -3.610 -0.205 -1.977 1.00 0.00 C ATOM 41 CG1 ILE A 182 -3.996 -1.672 -2.182 1.00 0.00 C ATOM 42 CG2 ILE A 182 -4.855 0.650 -1.817 1.00 0.00 C ATOM 43 CD1 ILE A 182 -4.747 -2.264 -1.011 1.00 0.00 C ATOM 0 HA ILE A 182 -2.772 1.404 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.015 -0.137 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -4.610 -1.757 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.093 -2.257 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.451 0.273 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.565 1.681 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.444 0.611 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -4.989 -3.305 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.127 -2.211 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -5.667 -1.703 -0.848 1.00 0.00 H new ATOM 55 N VAL A 183 -0.402 0.808 -2.933 1.00 0.00 N ATOM 56 CA VAL A 183 1.001 0.501 -2.736 1.00 0.00 C ATOM 57 C VAL A 183 1.300 0.452 -1.245 1.00 0.00 C ATOM 58 O VAL A 183 1.534 1.479 -0.609 1.00 0.00 O ATOM 59 CB VAL A 183 1.925 1.527 -3.434 1.00 0.00 C ATOM 60 CG1 VAL A 183 2.488 0.969 -4.717 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.189 2.812 -3.732 1.00 0.00 C ATOM 0 H VAL A 183 -0.609 1.801 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 183 1.202 -0.470 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 183 2.744 1.737 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 183 3.133 1.713 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 183 3.067 0.071 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 183 1.671 0.719 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 183 1.865 3.513 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.344 2.603 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 183 0.827 3.248 -2.801 1.00 0.00 H new ATOM 71 N VAL A 184 1.260 -0.746 -0.690 1.00 0.00 N ATOM 72 CA VAL A 184 1.490 -0.941 0.729 1.00 0.00 C ATOM 73 C VAL A 184 2.981 -0.873 1.060 1.00 0.00 C ATOM 74 O VAL A 184 3.756 -1.745 0.670 1.00 0.00 O ATOM 75 CB VAL A 184 0.911 -2.299 1.189 1.00 0.00 C ATOM 76 CG1 VAL A 184 1.096 -2.497 2.683 1.00 0.00 C ATOM 77 CG2 VAL A 184 -0.565 -2.399 0.823 1.00 0.00 C ATOM 0 H VAL A 184 1.069 -1.605 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 184 0.982 -0.138 1.262 1.00 0.00 H new ATOM 0 HB VAL A 184 1.457 -3.088 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.679 -3.460 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 184 2.159 -2.473 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 184 0.583 -1.700 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -0.957 -3.361 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.116 -1.595 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -0.679 -2.313 -0.258 1.00 0.00 H new ATOM 87 N ALA A 185 3.367 0.169 1.786 1.00 0.00 N ATOM 88 CA ALA A 185 4.756 0.353 2.181 1.00 0.00 C ATOM 89 C ALA A 185 5.118 -0.593 3.322 1.00 0.00 C ATOM 90 O ALA A 185 4.469 -0.590 4.370 1.00 0.00 O ATOM 91 CB ALA A 185 4.995 1.791 2.607 1.00 0.00 C ATOM 0 H ALA A 185 2.736 0.900 2.113 1.00 0.00 H new ATOM 0 HA ALA A 185 5.390 0.126 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.038 1.915 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.770 2.459 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.350 2.032 3.452 1.00 0.00 H new ATOM 97 N MET A 186 6.150 -1.398 3.119 1.00 0.00 N ATOM 98 CA MET A 186 6.592 -2.343 4.135 1.00 0.00 C ATOM 99 C MET A 186 7.778 -1.790 4.912 1.00 0.00 C ATOM 100 O MET A 186 7.999 -2.145 6.071 1.00 0.00 O ATOM 101 CB MET A 186 6.966 -3.684 3.498 1.00 0.00 C ATOM 102 CG MET A 186 5.780 -4.443 2.932 1.00 0.00 C ATOM 103 SD MET A 186 4.528 -4.785 4.180 1.00 0.00 S ATOM 104 CE MET A 186 3.374 -5.774 3.242 1.00 0.00 C ATOM 0 H MET A 186 6.698 -1.416 2.259 1.00 0.00 H new ATOM 0 HA MET A 186 5.765 -2.500 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.688 -3.508 2.700 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.461 -4.305 4.245 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.334 -3.865 2.123 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.125 -5.382 2.500 1.00 0.00 H new ATOM 0 HE1 MET A 186 2.648 -6.225 3.918 1.00 0.00 H new ATOM 0 HE2 MET A 186 2.855 -5.142 2.521 1.00 0.00 H new ATOM 0 HE3 MET A 186 3.914 -6.560 2.714 1.00 0.00 H new ATOM 114 N TYR A 187 8.546 -0.921 4.272 1.00 0.00 N ATOM 115 CA TYR A 187 9.711 -0.332 4.915 1.00 0.00 C ATOM 116 C TYR A 187 9.602 1.185 4.961 1.00 0.00 C ATOM 117 O TYR A 187 9.057 1.810 4.048 1.00 0.00 O ATOM 118 CB TYR A 187 10.986 -0.752 4.188 1.00 0.00 C ATOM 119 CG TYR A 187 11.203 -2.250 4.184 1.00 0.00 C ATOM 120 CD1 TYR A 187 11.450 -2.935 5.367 1.00 0.00 C ATOM 121 CD2 TYR A 187 11.142 -2.980 3.004 1.00 0.00 C ATOM 122 CE1 TYR A 187 11.637 -4.302 5.374 1.00 0.00 C ATOM 123 CE2 TYR A 187 11.326 -4.350 3.005 1.00 0.00 C ATOM 124 CZ TYR A 187 11.572 -5.006 4.192 1.00 0.00 C ATOM 125 OH TYR A 187 11.752 -6.367 4.199 1.00 0.00 O ATOM 0 H TYR A 187 8.385 -0.610 3.314 1.00 0.00 H new ATOM 0 HA TYR A 187 9.754 -0.698 5.941 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.945 -0.394 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.842 -0.268 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 187 11.496 -2.388 6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 187 10.948 -2.470 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 187 11.833 -4.818 6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 187 11.277 -4.904 2.079 1.00 0.00 H new ATOM 0 HH TYR A 187 11.674 -6.712 3.285 1.00 0.00 H new ATOM 135 N ASP A 188 10.132 1.762 6.031 1.00 0.00 N ATOM 136 CA ASP A 188 10.117 3.209 6.224 1.00 0.00 C ATOM 137 C ASP A 188 11.162 3.849 5.338 1.00 0.00 C ATOM 138 O ASP A 188 12.316 3.418 5.308 1.00 0.00 O ATOM 139 CB ASP A 188 10.391 3.546 7.692 1.00 0.00 C ATOM 140 CG ASP A 188 10.146 5.001 8.024 1.00 0.00 C ATOM 141 OD1 ASP A 188 10.834 5.871 7.460 1.00 0.00 O ATOM 142 OD2 ASP A 188 9.272 5.272 8.867 1.00 0.00 O ATOM 0 H ASP A 188 10.582 1.245 6.787 1.00 0.00 H new ATOM 0 HA ASP A 188 9.135 3.597 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 188 9.759 2.924 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.425 3.295 7.929 1.00 0.00 H new ATOM 147 N PHE A 189 10.755 4.878 4.623 1.00 0.00 N ATOM 148 CA PHE A 189 11.659 5.584 3.734 1.00 0.00 C ATOM 149 C PHE A 189 11.589 7.076 4.009 1.00 0.00 C ATOM 150 O PHE A 189 10.530 7.681 3.852 1.00 0.00 O ATOM 151 CB PHE A 189 11.309 5.278 2.269 1.00 0.00 C ATOM 152 CG PHE A 189 12.239 5.896 1.264 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.606 5.731 1.375 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.740 6.641 0.205 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.462 6.293 0.450 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.591 7.206 -0.724 1.00 0.00 C ATOM 157 CZ PHE A 189 13.956 7.034 -0.598 1.00 0.00 C ATOM 0 H PHE A 189 9.804 5.245 4.639 1.00 0.00 H new ATOM 0 HA PHE A 189 12.679 5.246 3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.307 4.197 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.296 5.627 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.009 5.156 2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.674 6.781 0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.528 6.153 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.191 7.780 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.626 7.479 -1.319 1.00 0.00 H new ATOM 167 N GLN A 190 12.721 7.644 4.430 1.00 0.00 N ATOM 168 CA GLN A 190 12.828 9.068 4.748 1.00 0.00 C ATOM 169 C GLN A 190 13.200 9.863 3.503 1.00 0.00 C ATOM 170 O GLN A 190 13.859 9.337 2.604 1.00 0.00 O ATOM 171 CB GLN A 190 13.900 9.275 5.827 1.00 0.00 C ATOM 172 CG GLN A 190 13.846 10.627 6.509 1.00 0.00 C ATOM 173 CD GLN A 190 12.719 10.711 7.512 1.00 0.00 C ATOM 174 OE1 GLN A 190 12.646 9.918 8.454 1.00 0.00 O ATOM 175 NE2 GLN A 190 11.830 11.668 7.314 1.00 0.00 N ATOM 0 H GLN A 190 13.591 7.128 4.560 1.00 0.00 H new ATOM 0 HA GLN A 190 11.864 9.419 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.794 8.496 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 190 14.883 9.149 5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 190 14.794 10.817 7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 190 13.722 11.407 5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 190 11.931 12.301 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 190 11.043 11.773 7.954 1.00 0.00 H new ATOM 184 N ALA A 191 12.762 11.120 3.438 1.00 0.00 N ATOM 185 CA ALA A 191 13.049 11.950 2.278 1.00 0.00 C ATOM 186 C ALA A 191 14.434 12.556 2.328 1.00 0.00 C ATOM 187 O ALA A 191 14.805 13.246 3.282 1.00 0.00 O ATOM 188 CB ALA A 191 12.018 13.051 2.102 1.00 0.00 C ATOM 0 H ALA A 191 12.214 11.578 4.167 1.00 0.00 H new ATOM 0 HA ALA A 191 13.001 11.282 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 191 12.269 13.648 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 191 11.031 12.608 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 191 12.013 13.689 2.986 1.00 0.00 H new ATOM 194 N THR A 192 15.169 12.319 1.264 1.00 0.00 N ATOM 195 CA THR A 192 16.506 12.851 1.117 1.00 0.00 C ATOM 196 C THR A 192 16.419 14.222 0.437 1.00 0.00 C ATOM 197 O THR A 192 17.315 15.065 0.569 1.00 0.00 O ATOM 198 CB THR A 192 17.356 11.848 0.330 1.00 0.00 C ATOM 199 OG1 THR A 192 18.578 12.418 -0.092 1.00 0.00 O ATOM 200 CG2 THR A 192 16.657 11.285 -0.891 1.00 0.00 C ATOM 0 H THR A 192 14.857 11.752 0.476 1.00 0.00 H new ATOM 0 HA THR A 192 16.988 12.996 2.084 1.00 0.00 H new ATOM 0 HB THR A 192 17.535 11.033 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 192 18.471 12.794 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.319 10.583 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.747 10.769 -0.584 1.00 0.00 H new ATOM 0 HG23 THR A 192 16.401 12.098 -1.571 1.00 0.00 H new ATOM 208 N GLU A 193 15.299 14.437 -0.253 1.00 0.00 N ATOM 209 CA GLU A 193 15.013 15.700 -0.930 1.00 0.00 C ATOM 210 C GLU A 193 13.530 16.037 -0.779 1.00 0.00 C ATOM 211 O GLU A 193 13.091 16.519 0.264 1.00 0.00 O ATOM 212 CB GLU A 193 15.368 15.647 -2.429 1.00 0.00 C ATOM 213 CG GLU A 193 16.853 15.577 -2.738 1.00 0.00 C ATOM 214 CD GLU A 193 17.345 14.167 -2.927 1.00 0.00 C ATOM 215 OE1 GLU A 193 16.710 13.416 -3.692 1.00 0.00 O ATOM 216 OE2 GLU A 193 18.379 13.811 -2.331 1.00 0.00 O ATOM 0 H GLU A 193 14.563 13.738 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 193 15.630 16.469 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 193 14.879 14.779 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 193 14.953 16.529 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 193 17.059 16.153 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 193 17.410 16.046 -1.927 1.00 0.00 H new ATOM 223 N ALA A 194 12.774 15.758 -1.834 1.00 0.00 N ATOM 224 CA ALA A 194 11.332 15.999 -1.874 1.00 0.00 C ATOM 225 C ALA A 194 10.727 15.250 -3.051 1.00 0.00 C ATOM 226 O ALA A 194 9.518 15.045 -3.122 1.00 0.00 O ATOM 227 CB ALA A 194 11.028 17.490 -1.986 1.00 0.00 C ATOM 0 H ALA A 194 13.145 15.355 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 194 10.892 15.637 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 194 9.949 17.640 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 194 11.445 18.012 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 194 11.473 17.884 -2.900 1.00 0.00 H new ATOM 233 N HIS A 195 11.599 14.834 -3.964 1.00 0.00 N ATOM 234 CA HIS A 195 11.200 14.086 -5.152 1.00 0.00 C ATOM 235 C HIS A 195 10.668 12.713 -4.751 1.00 0.00 C ATOM 236 O HIS A 195 9.910 12.074 -5.485 1.00 0.00 O ATOM 237 CB HIS A 195 12.418 13.928 -6.067 1.00 0.00 C ATOM 238 CG HIS A 195 12.161 13.194 -7.349 1.00 0.00 C ATOM 239 ND1 HIS A 195 11.336 13.671 -8.344 1.00 0.00 N ATOM 240 CD2 HIS A 195 12.649 12.011 -7.797 1.00 0.00 C ATOM 241 CE1 HIS A 195 11.327 12.812 -9.354 1.00 0.00 C ATOM 242 NE2 HIS A 195 12.117 11.796 -9.044 1.00 0.00 N ATOM 0 H HIS A 195 12.602 15.006 -3.901 1.00 0.00 H new ATOM 0 HA HIS A 195 10.411 14.624 -5.677 1.00 0.00 H new ATOM 0 HB2 HIS A 195 12.805 14.919 -6.305 1.00 0.00 H new ATOM 0 HB3 HIS A 195 13.200 13.404 -5.517 1.00 0.00 H new ATOM 0 HD2 HIS A 195 13.330 11.359 -7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 195 10.770 12.922 -10.273 1.00 0.00 H new ATOM 0 HE2 HIS A 195 12.300 10.985 -9.635 1.00 0.00 H new ATOM 251 N ASP A 196 11.080 12.274 -3.571 1.00 0.00 N ATOM 252 CA ASP A 196 10.676 10.992 -3.026 1.00 0.00 C ATOM 253 C ASP A 196 9.472 11.146 -2.109 1.00 0.00 C ATOM 254 O ASP A 196 9.369 12.121 -1.362 1.00 0.00 O ATOM 255 CB ASP A 196 11.841 10.344 -2.255 1.00 0.00 C ATOM 256 CG ASP A 196 12.501 11.244 -1.220 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.269 12.467 -1.232 1.00 0.00 O ATOM 258 OD2 ASP A 196 13.285 10.720 -0.413 1.00 0.00 O ATOM 0 H ASP A 196 11.707 12.802 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 196 10.397 10.346 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 196 11.473 9.448 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 196 12.597 10.022 -2.971 1.00 0.00 H new ATOM 263 N LEU A 197 8.565 10.178 -2.146 1.00 0.00 N ATOM 264 CA LEU A 197 7.390 10.224 -1.288 1.00 0.00 C ATOM 265 C LEU A 197 7.660 9.401 -0.036 1.00 0.00 C ATOM 266 O LEU A 197 8.347 8.375 -0.094 1.00 0.00 O ATOM 267 CB LEU A 197 6.146 9.734 -2.041 1.00 0.00 C ATOM 268 CG LEU A 197 4.816 10.360 -1.593 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.205 9.582 -0.439 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.026 11.812 -1.189 1.00 0.00 C ATOM 0 H LEU A 197 8.619 9.361 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 197 7.189 11.253 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.283 9.934 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.076 8.652 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 197 4.125 10.320 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 197 3.265 10.048 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.018 8.555 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 197 4.893 9.585 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 197 4.076 12.243 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 197 5.738 11.861 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 197 5.415 12.373 -2.038 1.00 0.00 H new ATOM 282 N ARG A 198 7.180 9.885 1.103 1.00 0.00 N ATOM 283 CA ARG A 198 7.427 9.228 2.385 1.00 0.00 C ATOM 284 C ARG A 198 6.740 7.889 2.512 1.00 0.00 C ATOM 285 O ARG A 198 5.580 7.734 2.143 1.00 0.00 O ATOM 286 CB ARG A 198 7.046 10.158 3.537 1.00 0.00 C ATOM 287 CG ARG A 198 7.925 11.397 3.635 1.00 0.00 C ATOM 288 CD ARG A 198 9.350 11.051 4.046 1.00 0.00 C ATOM 289 NE ARG A 198 9.997 10.091 3.144 1.00 0.00 N ATOM 290 CZ ARG A 198 10.249 10.317 1.848 1.00 0.00 C ATOM 291 NH1 ARG A 198 9.777 11.401 1.250 1.00 0.00 N ATOM 292 NH2 ARG A 198 10.943 9.436 1.149 1.00 0.00 N ATOM 0 H ARG A 198 6.616 10.732 1.167 1.00 0.00 H new ATOM 0 HA ARG A 198 8.496 9.018 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 198 6.008 10.468 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.106 9.605 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 198 7.939 11.909 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 198 7.496 12.090 4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 198 9.943 11.965 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 198 9.340 10.641 5.056 1.00 0.00 H new ATOM 0 HE ARG A 198 10.274 9.189 3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 198 9.217 12.071 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 198 9.974 11.565 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 198 11.286 8.586 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 198 11.136 9.606 0.162 1.00 0.00 H new ATOM 306 N LEU A 199 7.474 6.917 3.044 1.00 0.00 N ATOM 307 CA LEU A 199 6.937 5.577 3.225 1.00 0.00 C ATOM 308 C LEU A 199 6.746 5.252 4.691 1.00 0.00 C ATOM 309 O LEU A 199 7.674 5.383 5.491 1.00 0.00 O ATOM 310 CB LEU A 199 7.843 4.533 2.579 1.00 0.00 C ATOM 311 CG LEU A 199 7.875 4.580 1.056 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.692 3.429 0.498 1.00 0.00 C ATOM 313 CD2 LEU A 199 6.464 4.532 0.506 1.00 0.00 C ATOM 0 H LEU A 199 8.438 7.033 3.356 1.00 0.00 H new ATOM 0 HA LEU A 199 5.963 5.551 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.857 4.667 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.515 3.542 2.893 1.00 0.00 H new ATOM 0 HG LEU A 199 8.346 5.514 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 199 8.701 3.483 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 199 9.714 3.493 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.249 2.483 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.497 4.566 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 199 5.980 3.609 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 199 5.899 5.386 0.879 1.00 0.00 H new ATOM 325 N GLU A 200 5.536 4.821 5.019 1.00 0.00 N ATOM 326 CA GLU A 200 5.176 4.460 6.382 1.00 0.00 C ATOM 327 C GLU A 200 4.989 2.949 6.489 1.00 0.00 C ATOM 328 O GLU A 200 4.291 2.346 5.670 1.00 0.00 O ATOM 329 CB GLU A 200 3.885 5.192 6.774 1.00 0.00 C ATOM 330 CG GLU A 200 3.433 4.978 8.213 1.00 0.00 C ATOM 331 CD GLU A 200 4.415 5.519 9.226 1.00 0.00 C ATOM 332 OE1 GLU A 200 5.471 4.890 9.426 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.144 6.583 9.809 1.00 0.00 O ATOM 0 H GLU A 200 4.776 4.712 4.347 1.00 0.00 H new ATOM 0 HA GLU A 200 5.974 4.755 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 200 4.027 6.260 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 200 3.086 4.870 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 200 2.466 5.459 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.289 3.912 8.388 1.00 0.00 H new ATOM 340 N ARG A 201 5.614 2.344 7.489 1.00 0.00 N ATOM 341 CA ARG A 201 5.517 0.905 7.693 1.00 0.00 C ATOM 342 C ARG A 201 4.112 0.496 8.119 1.00 0.00 C ATOM 343 O ARG A 201 3.697 0.735 9.256 1.00 0.00 O ATOM 344 CB ARG A 201 6.536 0.442 8.734 1.00 0.00 C ATOM 345 CG ARG A 201 7.961 0.390 8.203 1.00 0.00 C ATOM 346 CD ARG A 201 8.975 0.113 9.303 1.00 0.00 C ATOM 347 NE ARG A 201 9.063 1.220 10.252 1.00 0.00 N ATOM 348 CZ ARG A 201 9.997 1.321 11.200 1.00 0.00 C ATOM 349 NH1 ARG A 201 10.917 0.378 11.327 1.00 0.00 N ATOM 350 NH2 ARG A 201 10.023 2.376 12.003 1.00 0.00 N ATOM 0 H ARG A 201 6.195 2.828 8.173 1.00 0.00 H new ATOM 0 HA ARG A 201 5.736 0.422 6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 201 6.500 1.114 9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 201 6.254 -0.548 9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 201 8.034 -0.385 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 201 8.202 1.337 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 201 8.697 -0.798 9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 201 9.954 -0.063 8.858 1.00 0.00 H new ATOM 0 HE ARG A 201 8.367 1.963 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 201 10.913 -0.427 10.700 1.00 0.00 H new ATOM 0 HH12 ARG A 201 11.631 0.456 12.052 1.00 0.00 H new ATOM 0 HH21 ARG A 201 9.327 3.114 11.898 1.00 0.00 H new ATOM 0 HH22 ARG A 201 10.739 2.449 12.726 1.00 0.00 H new ATOM 364 N GLY A 202 3.388 -0.128 7.200 1.00 0.00 N ATOM 365 CA GLY A 202 2.038 -0.574 7.485 1.00 0.00 C ATOM 366 C GLY A 202 0.986 0.373 6.949 1.00 0.00 C ATOM 367 O GLY A 202 -0.148 0.382 7.428 1.00 0.00 O ATOM 0 H GLY A 202 3.714 -0.335 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.887 -1.562 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.913 -0.677 8.563 1.00 0.00 H new ATOM 371 N GLN A 203 1.349 1.175 5.958 1.00 0.00 N ATOM 372 CA GLN A 203 0.403 2.118 5.379 1.00 0.00 C ATOM 373 C GLN A 203 0.304 1.923 3.872 1.00 0.00 C ATOM 374 O GLN A 203 1.306 1.682 3.198 1.00 0.00 O ATOM 375 CB GLN A 203 0.804 3.551 5.706 1.00 0.00 C ATOM 376 CG GLN A 203 -0.330 4.542 5.524 1.00 0.00 C ATOM 377 CD GLN A 203 0.005 5.908 6.062 1.00 0.00 C ATOM 378 OE1 GLN A 203 0.321 6.069 7.242 1.00 0.00 O ATOM 379 NE2 GLN A 203 -0.062 6.904 5.203 1.00 0.00 N ATOM 0 H GLN A 203 2.280 1.192 5.542 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.578 1.927 5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.157 3.597 6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.639 3.843 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 203 -0.572 4.622 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -1.221 4.166 6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -0.328 6.725 4.235 1.00 0.00 H new ATOM 0 HE22 GLN A 203 0.152 7.854 5.506 1.00 0.00 H new ATOM 388 N GLU A 204 -0.910 2.021 3.350 1.00 0.00 N ATOM 389 CA GLU A 204 -1.142 1.847 1.924 1.00 0.00 C ATOM 390 C GLU A 204 -1.139 3.192 1.206 1.00 0.00 C ATOM 391 O GLU A 204 -1.449 4.231 1.792 1.00 0.00 O ATOM 392 CB GLU A 204 -2.462 1.097 1.668 1.00 0.00 C ATOM 393 CG GLU A 204 -3.692 1.736 2.296 1.00 0.00 C ATOM 394 CD GLU A 204 -3.726 1.601 3.801 1.00 0.00 C ATOM 395 OE1 GLU A 204 -3.815 0.460 4.296 1.00 0.00 O ATOM 396 OE2 GLU A 204 -3.635 2.635 4.489 1.00 0.00 O ATOM 0 H GLU A 204 -1.750 2.220 3.893 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.327 1.244 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -2.618 1.022 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.365 0.080 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -3.721 2.793 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -4.587 1.278 1.876 1.00 0.00 H new ATOM 403 N TYR A 205 -0.767 3.167 -0.063 1.00 0.00 N ATOM 404 CA TYR A 205 -0.698 4.371 -0.872 1.00 0.00 C ATOM 405 C TYR A 205 -1.431 4.171 -2.188 1.00 0.00 C ATOM 406 O TYR A 205 -1.947 3.090 -2.456 1.00 0.00 O ATOM 407 CB TYR A 205 0.770 4.719 -1.135 1.00 0.00 C ATOM 408 CG TYR A 205 1.470 5.310 0.063 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.085 6.538 0.581 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.504 4.628 0.691 1.00 0.00 C ATOM 411 CE1 TYR A 205 1.711 7.069 1.687 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.135 5.156 1.797 1.00 0.00 C ATOM 413 CZ TYR A 205 2.733 6.376 2.291 1.00 0.00 C ATOM 414 OH TYR A 205 3.358 6.905 3.392 1.00 0.00 O ATOM 0 H TYR A 205 -0.505 2.315 -0.559 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.177 5.190 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.299 3.818 -1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.825 5.425 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.282 7.086 0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 205 2.819 3.669 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.400 8.026 2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 205 3.940 4.616 2.273 1.00 0.00 H new ATOM 0 HH TYR A 205 4.227 7.275 3.129 1.00 0.00 H new ATOM 424 N ILE A 206 -1.466 5.208 -3.014 1.00 0.00 N ATOM 425 CA ILE A 206 -2.126 5.119 -4.312 1.00 0.00 C ATOM 426 C ILE A 206 -1.102 5.318 -5.416 1.00 0.00 C ATOM 427 O ILE A 206 -0.622 6.429 -5.627 1.00 0.00 O ATOM 428 CB ILE A 206 -3.259 6.170 -4.480 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.293 6.058 -3.356 1.00 0.00 C ATOM 430 CG2 ILE A 206 -3.946 6.009 -5.833 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.911 6.785 -2.078 1.00 0.00 C ATOM 0 H ILE A 206 -1.048 6.116 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.579 4.130 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 206 -2.801 7.158 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.244 6.452 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.450 5.004 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -4.736 6.754 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.216 6.147 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.378 5.011 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.698 6.654 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.977 6.377 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.783 7.847 -2.288 1.00 0.00 H new ATOM 443 N ILE A 207 -0.755 4.244 -6.108 1.00 0.00 N ATOM 444 CA ILE A 207 0.222 4.325 -7.176 1.00 0.00 C ATOM 445 C ILE A 207 -0.392 5.017 -8.403 1.00 0.00 C ATOM 446 O ILE A 207 -1.519 4.723 -8.805 1.00 0.00 O ATOM 447 CB ILE A 207 0.783 2.918 -7.502 1.00 0.00 C ATOM 448 CG1 ILE A 207 2.055 2.996 -8.346 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.258 2.045 -8.176 1.00 0.00 C ATOM 450 CD1 ILE A 207 1.826 3.205 -9.826 1.00 0.00 C ATOM 0 H ILE A 207 -1.135 3.311 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 207 1.066 4.934 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 207 1.045 2.454 -6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 207 2.673 3.811 -7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.622 2.076 -8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.171 1.066 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -1.117 1.928 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -0.577 2.512 -9.108 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.786 3.247 -10.340 1.00 0.00 H new ATOM 0 HD12 ILE A 207 1.237 2.378 -10.223 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.289 4.141 -9.983 1.00 0.00 H new ATOM 462 N LEU A 208 0.347 5.966 -8.957 1.00 0.00 N ATOM 463 CA LEU A 208 -0.100 6.748 -10.101 1.00 0.00 C ATOM 464 C LEU A 208 0.563 6.281 -11.390 1.00 0.00 C ATOM 465 O LEU A 208 -0.096 5.774 -12.295 1.00 0.00 O ATOM 466 CB LEU A 208 0.256 8.221 -9.886 1.00 0.00 C ATOM 467 CG LEU A 208 0.244 8.691 -8.431 1.00 0.00 C ATOM 468 CD1 LEU A 208 1.247 9.813 -8.244 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.144 9.148 -8.015 1.00 0.00 C ATOM 0 H LEU A 208 1.278 6.217 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.178 6.617 -10.189 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.248 8.402 -10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.444 8.834 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 208 0.524 7.851 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 208 1.234 10.144 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 208 2.245 9.455 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.984 10.648 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -1.123 9.477 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.461 9.975 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -1.846 8.321 -8.119 1.00 0.00 H new ATOM 481 N GLU A 209 1.874 6.485 -11.476 1.00 0.00 N ATOM 482 CA GLU A 209 2.622 6.116 -12.671 1.00 0.00 C ATOM 483 C GLU A 209 3.471 4.876 -12.448 1.00 0.00 C ATOM 484 O GLU A 209 4.395 4.870 -11.633 1.00 0.00 O ATOM 485 CB GLU A 209 3.508 7.272 -13.135 1.00 0.00 C ATOM 486 CG GLU A 209 2.743 8.558 -13.395 1.00 0.00 C ATOM 487 CD GLU A 209 3.591 9.585 -14.101 1.00 0.00 C ATOM 488 OE1 GLU A 209 4.671 9.919 -13.584 1.00 0.00 O ATOM 489 OE2 GLU A 209 3.188 10.043 -15.186 1.00 0.00 O ATOM 0 H GLU A 209 2.438 6.902 -10.735 1.00 0.00 H new ATOM 0 HA GLU A 209 1.891 5.890 -13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.271 7.460 -12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.027 6.977 -14.047 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.861 8.340 -13.997 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.390 8.968 -12.449 1.00 0.00 H new ATOM 496 N LYS A 210 3.149 3.835 -13.192 1.00 0.00 N ATOM 497 CA LYS A 210 3.864 2.577 -13.112 1.00 0.00 C ATOM 498 C LYS A 210 4.880 2.509 -14.248 1.00 0.00 C ATOM 499 O LYS A 210 4.620 1.916 -15.296 1.00 0.00 O ATOM 500 CB LYS A 210 2.853 1.428 -13.194 1.00 0.00 C ATOM 501 CG LYS A 210 3.401 0.071 -12.795 1.00 0.00 C ATOM 502 CD LYS A 210 2.272 -0.912 -12.539 1.00 0.00 C ATOM 503 CE LYS A 210 2.796 -2.285 -12.159 1.00 0.00 C ATOM 504 NZ LYS A 210 1.701 -3.202 -11.759 1.00 0.00 N ATOM 0 H LYS A 210 2.385 3.838 -13.868 1.00 0.00 H new ATOM 0 HA LYS A 210 4.403 2.495 -12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 210 2.003 1.664 -12.554 1.00 0.00 H new ATOM 0 HB3 LYS A 210 2.476 1.366 -14.215 1.00 0.00 H new ATOM 0 HG2 LYS A 210 4.050 -0.310 -13.584 1.00 0.00 H new ATOM 0 HG3 LYS A 210 4.013 0.170 -11.899 1.00 0.00 H new ATOM 0 HD2 LYS A 210 1.634 -0.533 -11.741 1.00 0.00 H new ATOM 0 HD3 LYS A 210 1.652 -0.994 -13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 210 3.339 -2.713 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 210 3.507 -2.188 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 2.099 -4.129 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 1.199 -2.806 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 1.036 -3.315 -12.551 1.00 0.00 H new ATOM 518 N ASN A 211 6.017 3.168 -14.050 1.00 0.00 N ATOM 519 CA ASN A 211 7.051 3.226 -15.076 1.00 0.00 C ATOM 520 C ASN A 211 8.143 2.184 -14.851 1.00 0.00 C ATOM 521 O ASN A 211 8.249 1.208 -15.596 1.00 0.00 O ATOM 522 CB ASN A 211 7.682 4.622 -15.125 1.00 0.00 C ATOM 523 CG ASN A 211 6.658 5.740 -15.160 1.00 0.00 C ATOM 524 OD1 ASN A 211 5.773 5.767 -16.016 1.00 0.00 O ATOM 525 ND2 ASN A 211 6.776 6.676 -14.229 1.00 0.00 N ATOM 0 H ASN A 211 6.245 3.668 -13.191 1.00 0.00 H new ATOM 0 HA ASN A 211 6.566 3.008 -16.027 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.325 4.754 -14.254 1.00 0.00 H new ATOM 0 HB3 ASN A 211 8.320 4.695 -16.006 1.00 0.00 H new ATOM 0 HD21 ASN A 211 6.119 7.456 -14.204 1.00 0.00 H new ATOM 0 HD22 ASN A 211 7.524 6.616 -13.538 1.00 0.00 H new ATOM 532 N ASP A 212 8.964 2.407 -13.830 1.00 0.00 N ATOM 533 CA ASP A 212 10.065 1.505 -13.509 1.00 0.00 C ATOM 534 C ASP A 212 9.554 0.341 -12.663 1.00 0.00 C ATOM 535 O ASP A 212 8.411 0.352 -12.219 1.00 0.00 O ATOM 536 CB ASP A 212 11.162 2.287 -12.772 1.00 0.00 C ATOM 537 CG ASP A 212 12.509 1.596 -12.782 1.00 0.00 C ATOM 538 OD1 ASP A 212 12.689 0.613 -12.042 1.00 0.00 O ATOM 539 OD2 ASP A 212 13.394 2.038 -13.538 1.00 0.00 O ATOM 0 H ASP A 212 8.887 3.211 -13.207 1.00 0.00 H new ATOM 0 HA ASP A 212 10.487 1.094 -14.426 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.264 3.271 -13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 212 10.852 2.446 -11.739 1.00 0.00 H new ATOM 544 N LEU A 213 10.401 -0.652 -12.439 1.00 0.00 N ATOM 545 CA LEU A 213 10.031 -1.811 -11.638 1.00 0.00 C ATOM 546 C LEU A 213 10.310 -1.535 -10.166 1.00 0.00 C ATOM 547 O LEU A 213 9.599 -2.016 -9.283 1.00 0.00 O ATOM 548 CB LEU A 213 10.820 -3.057 -12.081 1.00 0.00 C ATOM 549 CG LEU A 213 10.571 -3.559 -13.509 1.00 0.00 C ATOM 550 CD1 LEU A 213 9.090 -3.609 -13.811 1.00 0.00 C ATOM 551 CD2 LEU A 213 11.297 -2.702 -14.529 1.00 0.00 C ATOM 0 H LEU A 213 11.354 -0.679 -12.802 1.00 0.00 H new ATOM 0 HA LEU A 213 8.967 -1.999 -11.782 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.883 -2.841 -11.977 1.00 0.00 H new ATOM 0 HB3 LEU A 213 10.590 -3.868 -11.390 1.00 0.00 H new ATOM 0 HG LEU A 213 10.970 -4.571 -13.578 1.00 0.00 H new ATOM 0 HD11 LEU A 213 8.938 -3.968 -14.829 1.00 0.00 H new ATOM 0 HD12 LEU A 213 8.599 -4.285 -13.111 1.00 0.00 H new ATOM 0 HD13 LEU A 213 8.664 -2.611 -13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 213 11.100 -3.084 -15.531 1.00 0.00 H new ATOM 0 HD22 LEU A 213 10.944 -1.673 -14.457 1.00 0.00 H new ATOM 0 HD23 LEU A 213 12.369 -2.733 -14.333 1.00 0.00 H new ATOM 563 N HIS A 214 11.360 -0.769 -9.916 1.00 0.00 N ATOM 564 CA HIS A 214 11.756 -0.430 -8.554 1.00 0.00 C ATOM 565 C HIS A 214 11.355 0.996 -8.200 1.00 0.00 C ATOM 566 O HIS A 214 11.595 1.452 -7.081 1.00 0.00 O ATOM 567 CB HIS A 214 13.271 -0.589 -8.380 1.00 0.00 C ATOM 568 CG HIS A 214 13.742 -2.010 -8.418 1.00 0.00 C ATOM 569 ND1 HIS A 214 15.073 -2.365 -8.534 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.054 -3.173 -8.342 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.176 -3.682 -8.527 1.00 0.00 C ATOM 572 NE2 HIS A 214 13.965 -4.197 -8.408 1.00 0.00 N ATOM 0 H HIS A 214 11.957 -0.368 -10.640 1.00 0.00 H new ATOM 0 HA HIS A 214 11.238 -1.115 -7.883 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.778 -0.028 -9.165 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.566 -0.144 -7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 214 11.983 -3.276 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.095 -4.243 -8.605 1.00 0.00 H new ATOM 0 HE2 HIS A 214 13.744 -5.192 -8.371 1.00 0.00 H new ATOM 581 N TRP A 215 10.758 1.702 -9.149 1.00 0.00 N ATOM 582 CA TRP A 215 10.350 3.082 -8.916 1.00 0.00 C ATOM 583 C TRP A 215 8.945 3.361 -9.424 1.00 0.00 C ATOM 584 O TRP A 215 8.723 3.518 -10.629 1.00 0.00 O ATOM 585 CB TRP A 215 11.329 4.057 -9.571 1.00 0.00 C ATOM 586 CG TRP A 215 12.572 4.263 -8.766 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.752 3.579 -8.860 1.00 0.00 C ATOM 588 CD2 TRP A 215 12.735 5.198 -7.698 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.651 4.066 -7.939 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.044 5.057 -7.209 1.00 0.00 C ATOM 591 CE3 TRP A 215 11.900 6.150 -7.121 1.00 0.00 C ATOM 592 CZ2 TRP A 215 14.535 5.835 -6.161 1.00 0.00 C ATOM 593 CZ3 TRP A 215 12.381 6.919 -6.083 1.00 0.00 C ATOM 594 CH2 TRP A 215 13.689 6.761 -5.610 1.00 0.00 C ATOM 0 H TRP A 215 10.546 1.347 -10.081 1.00 0.00 H new ATOM 0 HA TRP A 215 10.355 3.229 -7.836 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.600 3.684 -10.559 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.834 5.017 -9.718 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.949 2.776 -9.554 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.611 3.743 -7.819 1.00 0.00 H new ATOM 0 HE3 TRP A 215 10.891 6.284 -7.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 15.544 5.712 -5.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 11.737 7.656 -5.627 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.037 7.380 -4.796 1.00 0.00 H new ATOM 605 N TRP A 216 8.002 3.458 -8.501 1.00 0.00 N ATOM 606 CA TRP A 216 6.624 3.760 -8.855 1.00 0.00 C ATOM 607 C TRP A 216 6.217 5.106 -8.274 1.00 0.00 C ATOM 608 O TRP A 216 6.447 5.376 -7.098 1.00 0.00 O ATOM 609 CB TRP A 216 5.658 2.689 -8.337 1.00 0.00 C ATOM 610 CG TRP A 216 5.713 1.391 -9.071 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.261 1.154 -10.292 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.150 0.154 -8.633 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.106 -0.168 -10.628 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.419 -0.802 -9.628 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.451 -0.238 -7.492 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.016 -2.128 -9.510 1.00 0.00 C ATOM 617 CZ3 TRP A 216 4.046 -1.551 -7.375 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.328 -2.484 -8.382 1.00 0.00 C ATOM 0 H TRP A 216 8.165 3.332 -7.502 1.00 0.00 H new ATOM 0 HA TRP A 216 6.568 3.785 -9.943 1.00 0.00 H new ATOM 0 HB2 TRP A 216 5.872 2.505 -7.284 1.00 0.00 H new ATOM 0 HB3 TRP A 216 4.642 3.079 -8.392 1.00 0.00 H new ATOM 0 HD1 TRP A 216 6.747 1.897 -10.907 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.447 -0.606 -11.483 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.230 0.476 -6.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.238 -2.851 -10.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 3.504 -1.865 -6.495 1.00 0.00 H new ATOM 0 HH2 TRP A 216 3.995 -3.505 -8.265 1.00 0.00 H new ATOM 629 N ARG A 217 5.585 5.936 -9.085 1.00 0.00 N ATOM 630 CA ARG A 217 5.115 7.234 -8.618 1.00 0.00 C ATOM 631 C ARG A 217 3.804 7.039 -7.876 1.00 0.00 C ATOM 632 O ARG A 217 2.807 6.679 -8.491 1.00 0.00 O ATOM 633 CB ARG A 217 4.892 8.168 -9.807 1.00 0.00 C ATOM 634 CG ARG A 217 5.845 9.345 -9.894 1.00 0.00 C ATOM 635 CD ARG A 217 5.749 10.238 -8.673 1.00 0.00 C ATOM 636 NE ARG A 217 6.072 11.633 -8.976 1.00 0.00 N ATOM 637 CZ ARG A 217 5.317 12.431 -9.737 1.00 0.00 C ATOM 638 NH1 ARG A 217 4.189 11.974 -10.277 1.00 0.00 N ATOM 639 NH2 ARG A 217 5.686 13.688 -9.942 1.00 0.00 N ATOM 0 H ARG A 217 5.385 5.739 -10.065 1.00 0.00 H new ATOM 0 HA ARG A 217 5.860 7.677 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 217 4.974 7.586 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 217 3.872 8.550 -9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 217 6.866 8.979 -9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.623 9.927 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 217 4.740 10.182 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 217 6.427 9.870 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 217 6.929 12.021 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 217 3.898 11.011 -10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 217 3.616 12.587 -10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 217 6.544 14.043 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 217 5.112 14.300 -10.522 1.00 0.00 H new ATOM 653 N ALA A 218 3.803 7.261 -6.564 1.00 0.00 N ATOM 654 CA ALA A 218 2.593 7.084 -5.774 1.00 0.00 C ATOM 655 C ALA A 218 2.215 8.357 -5.027 1.00 0.00 C ATOM 656 O ALA A 218 3.047 9.235 -4.812 1.00 0.00 O ATOM 657 CB ALA A 218 2.754 5.927 -4.803 1.00 0.00 C ATOM 0 H ALA A 218 4.620 7.561 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 218 1.782 6.854 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.840 5.810 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.950 5.010 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.588 6.129 -4.131 1.00 0.00 H new ATOM 663 N ARG A 219 0.946 8.442 -4.646 1.00 0.00 N ATOM 664 CA ARG A 219 0.414 9.598 -3.932 1.00 0.00 C ATOM 665 C ARG A 219 -0.031 9.207 -2.527 1.00 0.00 C ATOM 666 O ARG A 219 -0.405 8.057 -2.279 1.00 0.00 O ATOM 667 CB ARG A 219 -0.784 10.172 -4.692 1.00 0.00 C ATOM 668 CG ARG A 219 -1.284 11.504 -4.153 1.00 0.00 C ATOM 669 CD ARG A 219 -2.743 11.721 -4.511 1.00 0.00 C ATOM 670 NE ARG A 219 -3.621 10.789 -3.798 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.852 10.456 -4.199 1.00 0.00 C ATOM 672 NH1 ARG A 219 -5.279 10.802 -5.411 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.628 9.720 -3.407 1.00 0.00 N ATOM 0 H ARG A 219 0.256 7.712 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 219 1.203 10.347 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.510 10.297 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.600 9.450 -4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -1.163 11.531 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -0.681 12.315 -4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -3.028 12.745 -4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.876 11.597 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.269 10.366 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -4.666 11.323 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -6.219 10.546 -5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.283 9.412 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.568 9.464 -3.709 1.00 0.00 H new ATOM 687 N ASP A 220 -0.017 10.175 -1.620 1.00 0.00 N ATOM 688 CA ASP A 220 -0.442 9.937 -0.252 1.00 0.00 C ATOM 689 C ASP A 220 -1.734 10.686 0.059 1.00 0.00 C ATOM 690 O ASP A 220 -2.798 10.082 0.166 1.00 0.00 O ATOM 691 CB ASP A 220 0.653 10.346 0.736 1.00 0.00 C ATOM 692 CG ASP A 220 0.203 10.234 2.177 1.00 0.00 C ATOM 693 OD1 ASP A 220 -0.282 9.153 2.575 1.00 0.00 O ATOM 694 OD2 ASP A 220 0.346 11.222 2.912 1.00 0.00 O ATOM 0 H ASP A 220 0.284 11.131 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 220 -0.629 8.868 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 220 1.530 9.717 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 220 0.957 11.373 0.532 1.00 0.00 H new ATOM 699 N LYS A 221 -1.633 11.999 0.222 1.00 0.00 N ATOM 700 CA LYS A 221 -2.802 12.812 0.550 1.00 0.00 C ATOM 701 C LYS A 221 -3.594 13.264 -0.681 1.00 0.00 C ATOM 702 O LYS A 221 -3.783 12.503 -1.623 1.00 0.00 O ATOM 703 CB LYS A 221 -2.415 14.019 1.403 1.00 0.00 C ATOM 704 CG LYS A 221 -1.003 14.540 1.193 1.00 0.00 C ATOM 705 CD LYS A 221 -0.117 14.205 2.380 1.00 0.00 C ATOM 706 CE LYS A 221 1.090 15.124 2.456 1.00 0.00 C ATOM 707 NZ LYS A 221 0.706 16.526 2.769 1.00 0.00 N ATOM 0 H LYS A 221 -0.762 12.522 0.134 1.00 0.00 H new ATOM 0 HA LYS A 221 -3.461 12.163 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -3.117 14.827 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -2.533 13.753 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -0.582 14.105 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -1.028 15.620 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -0.695 14.287 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 221 0.217 13.170 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 221 1.777 14.758 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 221 1.625 15.098 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 1.527 17.033 3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 0.385 17.000 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -0.063 16.527 3.469 1.00 0.00 H new ATOM 721 N TYR A 222 -4.094 14.503 -0.632 1.00 0.00 N ATOM 722 CA TYR A 222 -4.924 15.075 -1.698 1.00 0.00 C ATOM 723 C TYR A 222 -4.138 15.575 -2.914 1.00 0.00 C ATOM 724 O TYR A 222 -4.505 16.582 -3.522 1.00 0.00 O ATOM 725 CB TYR A 222 -5.759 16.231 -1.128 1.00 0.00 C ATOM 726 CG TYR A 222 -4.960 17.406 -0.571 1.00 0.00 C ATOM 727 CD1 TYR A 222 -3.565 17.382 -0.474 1.00 0.00 C ATOM 728 CD2 TYR A 222 -5.616 18.552 -0.145 1.00 0.00 C ATOM 729 CE1 TYR A 222 -2.865 18.460 0.025 1.00 0.00 C ATOM 730 CE2 TYR A 222 -4.920 19.633 0.353 1.00 0.00 C ATOM 731 CZ TYR A 222 -3.546 19.583 0.435 1.00 0.00 C ATOM 732 OH TYR A 222 -2.854 20.661 0.925 1.00 0.00 O ATOM 0 H TYR A 222 -3.934 15.139 0.149 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.555 14.262 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.418 16.602 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.397 15.839 -0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.026 16.503 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -6.693 18.598 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -1.788 18.423 0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -5.450 20.516 0.678 1.00 0.00 H new ATOM 0 HH TYR A 222 -3.484 21.371 1.169 1.00 0.00 H new ATOM 742 N GLY A 223 -3.080 14.885 -3.289 1.00 0.00 N ATOM 743 CA GLY A 223 -2.319 15.321 -4.449 1.00 0.00 C ATOM 744 C GLY A 223 -0.837 15.409 -4.185 1.00 0.00 C ATOM 745 O GLY A 223 -0.062 15.729 -5.083 1.00 0.00 O ATOM 0 H GLY A 223 -2.733 14.045 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -2.495 14.629 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.684 16.297 -4.769 1.00 0.00 H new ATOM 749 N SER A 224 -0.432 15.108 -2.964 1.00 0.00 N ATOM 750 CA SER A 224 0.975 15.132 -2.618 1.00 0.00 C ATOM 751 C SER A 224 1.554 13.767 -2.928 1.00 0.00 C ATOM 752 O SER A 224 1.286 12.793 -2.222 1.00 0.00 O ATOM 753 CB SER A 224 1.176 15.485 -1.146 1.00 0.00 C ATOM 754 OG SER A 224 2.533 15.777 -0.865 1.00 0.00 O ATOM 0 H SER A 224 -1.055 14.846 -2.200 1.00 0.00 H new ATOM 0 HA SER A 224 1.486 15.899 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 224 0.557 16.344 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 224 0.844 14.655 -0.523 1.00 0.00 H new ATOM 0 HG SER A 224 2.591 16.296 -0.036 1.00 0.00 H new ATOM 760 N GLU A 225 2.290 13.690 -4.018 1.00 0.00 N ATOM 761 CA GLU A 225 2.852 12.430 -4.464 1.00 0.00 C ATOM 762 C GLU A 225 4.373 12.480 -4.570 1.00 0.00 C ATOM 763 O GLU A 225 5.016 13.392 -4.044 1.00 0.00 O ATOM 764 CB GLU A 225 2.228 12.088 -5.813 1.00 0.00 C ATOM 765 CG GLU A 225 2.212 13.273 -6.757 1.00 0.00 C ATOM 766 CD GLU A 225 1.231 13.108 -7.889 1.00 0.00 C ATOM 767 OE1 GLU A 225 0.043 12.873 -7.616 1.00 0.00 O ATOM 768 OE2 GLU A 225 1.647 13.228 -9.054 1.00 0.00 O ATOM 0 H GLU A 225 2.514 14.487 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 225 2.624 11.659 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.784 11.269 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 225 1.208 11.735 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 225 1.964 14.174 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 225 3.211 13.418 -7.167 1.00 0.00 H new ATOM 775 N GLY A 226 4.938 11.491 -5.257 1.00 0.00 N ATOM 776 CA GLY A 226 6.370 11.424 -5.420 1.00 0.00 C ATOM 777 C GLY A 226 6.839 10.014 -5.713 1.00 0.00 C ATOM 778 O GLY A 226 6.135 9.045 -5.424 1.00 0.00 O ATOM 0 H GLY A 226 4.422 10.733 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.674 12.084 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.856 11.788 -4.515 1.00 0.00 H new ATOM 782 N TYR A 227 8.017 9.897 -6.303 1.00 0.00 N ATOM 783 CA TYR A 227 8.581 8.598 -6.644 1.00 0.00 C ATOM 784 C TYR A 227 8.872 7.771 -5.398 1.00 0.00 C ATOM 785 O TYR A 227 9.376 8.284 -4.398 1.00 0.00 O ATOM 786 CB TYR A 227 9.842 8.772 -7.480 1.00 0.00 C ATOM 787 CG TYR A 227 9.599 8.619 -8.959 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.179 7.405 -9.486 1.00 0.00 C ATOM 789 CD2 TYR A 227 9.794 9.679 -9.829 1.00 0.00 C ATOM 790 CE1 TYR A 227 8.965 7.252 -10.841 1.00 0.00 C ATOM 791 CE2 TYR A 227 9.578 9.536 -11.182 1.00 0.00 C ATOM 792 CZ TYR A 227 9.166 8.325 -11.684 1.00 0.00 C ATOM 793 OH TYR A 227 8.959 8.180 -13.034 1.00 0.00 O ATOM 0 H TYR A 227 8.606 10.690 -6.558 1.00 0.00 H new ATOM 0 HA TYR A 227 7.841 8.056 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.264 9.758 -7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.585 8.040 -7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 227 9.017 6.567 -8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 227 10.120 10.632 -9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.643 6.300 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 227 9.732 10.373 -11.846 1.00 0.00 H new ATOM 0 HH TYR A 227 9.143 9.030 -13.486 1.00 0.00 H new ATOM 803 N ILE A 228 8.520 6.495 -5.464 1.00 0.00 N ATOM 804 CA ILE A 228 8.700 5.582 -4.350 1.00 0.00 C ATOM 805 C ILE A 228 9.423 4.318 -4.771 1.00 0.00 C ATOM 806 O ILE A 228 9.051 3.698 -5.765 1.00 0.00 O ATOM 807 CB ILE A 228 7.335 5.161 -3.782 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.559 6.381 -3.292 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.493 4.147 -2.664 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.287 6.035 -2.552 1.00 0.00 C ATOM 0 H ILE A 228 8.103 6.067 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 228 9.291 6.111 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 228 6.770 4.688 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.201 6.970 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.312 7.011 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.510 3.869 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.998 3.260 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 228 8.084 4.583 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.790 6.952 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.625 5.472 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.528 5.431 -1.677 1.00 0.00 H new ATOM 822 N PRO A 229 10.430 3.884 -3.994 1.00 0.00 N ATOM 823 CA PRO A 229 11.138 2.651 -4.278 1.00 0.00 C ATOM 824 C PRO A 229 10.226 1.465 -4.024 1.00 0.00 C ATOM 825 O PRO A 229 10.034 1.053 -2.880 1.00 0.00 O ATOM 826 CB PRO A 229 12.295 2.633 -3.281 1.00 0.00 C ATOM 827 CG PRO A 229 11.855 3.521 -2.166 1.00 0.00 C ATOM 828 CD PRO A 229 10.912 4.532 -2.764 1.00 0.00 C ATOM 0 HA PRO A 229 11.476 2.593 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.495 1.622 -2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.215 2.998 -3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 229 11.360 2.945 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.710 4.015 -1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.090 4.762 -2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.419 5.472 -2.980 1.00 0.00 H new ATOM 836 N SER A 230 9.641 0.940 -5.084 1.00 0.00 N ATOM 837 CA SER A 230 8.728 -0.189 -4.987 1.00 0.00 C ATOM 838 C SER A 230 9.380 -1.383 -4.292 1.00 0.00 C ATOM 839 O SER A 230 8.691 -2.303 -3.863 1.00 0.00 O ATOM 840 CB SER A 230 8.260 -0.585 -6.383 1.00 0.00 C ATOM 841 OG SER A 230 7.972 0.567 -7.156 1.00 0.00 O ATOM 0 H SER A 230 9.783 1.281 -6.035 1.00 0.00 H new ATOM 0 HA SER A 230 7.873 0.115 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 230 9.030 -1.178 -6.876 1.00 0.00 H new ATOM 0 HB3 SER A 230 7.372 -1.213 -6.311 1.00 0.00 H new ATOM 0 HG SER A 230 7.120 0.442 -7.624 1.00 0.00 H new ATOM 847 N ASN A 231 10.702 -1.347 -4.147 1.00 0.00 N ATOM 848 CA ASN A 231 11.414 -2.415 -3.464 1.00 0.00 C ATOM 849 C ASN A 231 11.132 -2.371 -1.962 1.00 0.00 C ATOM 850 O ASN A 231 11.460 -3.301 -1.226 1.00 0.00 O ATOM 851 CB ASN A 231 12.919 -2.347 -3.747 1.00 0.00 C ATOM 852 CG ASN A 231 13.510 -0.960 -3.560 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.451 -0.386 -2.478 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.086 -0.415 -4.622 1.00 0.00 N ATOM 0 H ASN A 231 11.296 -0.593 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 231 11.051 -3.367 -3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.436 -3.045 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.103 -2.677 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.501 0.515 -4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.115 -0.925 -5.505 1.00 0.00 H new ATOM 861 N TYR A 232 10.498 -1.286 -1.522 1.00 0.00 N ATOM 862 CA TYR A 232 10.134 -1.105 -0.122 1.00 0.00 C ATOM 863 C TYR A 232 8.626 -1.237 0.060 1.00 0.00 C ATOM 864 O TYR A 232 8.126 -1.253 1.189 1.00 0.00 O ATOM 865 CB TYR A 232 10.575 0.274 0.387 1.00 0.00 C ATOM 866 CG TYR A 232 12.055 0.411 0.677 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.922 -0.669 0.560 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.587 1.633 1.073 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.270 -0.537 0.826 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.936 1.773 1.343 1.00 0.00 C ATOM 871 CZ TYR A 232 14.772 0.684 1.216 1.00 0.00 C ATOM 872 OH TYR A 232 16.117 0.818 1.487 1.00 0.00 O ATOM 0 H TYR A 232 10.224 -0.511 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 232 10.643 -1.880 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.295 1.023 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.020 0.502 1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.534 -1.630 0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.935 2.488 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.928 -1.388 0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.332 2.729 1.651 1.00 0.00 H new ATOM 0 HH TYR A 232 16.308 1.743 1.748 1.00 0.00 H new ATOM 882 N VAL A 233 7.901 -1.316 -1.054 1.00 0.00 N ATOM 883 CA VAL A 233 6.446 -1.437 -1.013 1.00 0.00 C ATOM 884 C VAL A 233 5.964 -2.682 -1.758 1.00 0.00 C ATOM 885 O VAL A 233 6.766 -3.471 -2.257 1.00 0.00 O ATOM 886 CB VAL A 233 5.746 -0.192 -1.610 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.125 1.066 -0.852 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.066 -0.032 -3.085 1.00 0.00 C ATOM 0 H VAL A 233 8.297 -1.298 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 233 6.179 -1.522 0.040 1.00 0.00 H new ATOM 0 HB VAL A 233 4.672 -0.346 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.618 1.924 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.826 0.966 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.204 1.213 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.559 0.851 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 233 7.142 0.081 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.727 -0.914 -3.629 1.00 0.00 H new ATOM 898 N THR A 234 4.647 -2.840 -1.829 1.00 0.00 N ATOM 899 CA THR A 234 4.020 -3.970 -2.508 1.00 0.00 C ATOM 900 C THR A 234 2.610 -3.578 -2.922 1.00 0.00 C ATOM 901 O THR A 234 2.157 -2.473 -2.622 1.00 0.00 O ATOM 902 CB THR A 234 4.006 -5.203 -1.582 1.00 0.00 C ATOM 903 OG1 THR A 234 3.496 -6.350 -2.251 1.00 0.00 O ATOM 904 CG2 THR A 234 3.189 -4.998 -0.319 1.00 0.00 C ATOM 0 H THR A 234 3.981 -2.187 -1.416 1.00 0.00 H new ATOM 0 HA THR A 234 4.590 -4.231 -3.400 1.00 0.00 H new ATOM 0 HB THR A 234 5.048 -5.354 -1.301 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.501 -7.115 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.222 -5.904 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.602 -4.166 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.155 -4.777 -0.586 1.00 0.00 H new ATOM 912 N GLY A 235 1.923 -4.476 -3.604 1.00 0.00 N ATOM 913 CA GLY A 235 0.571 -4.197 -4.026 1.00 0.00 C ATOM 914 C GLY A 235 -0.419 -4.533 -2.937 1.00 0.00 C ATOM 915 O GLY A 235 -0.321 -4.025 -1.823 1.00 0.00 O ATOM 0 H GLY A 235 2.278 -5.394 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.480 -3.144 -4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.340 -4.773 -4.922 1.00 0.00 H new ATOM 919 N LYS A 236 -1.361 -5.409 -3.237 1.00 0.00 N ATOM 920 CA LYS A 236 -2.352 -5.812 -2.249 1.00 0.00 C ATOM 921 C LYS A 236 -1.837 -6.947 -1.366 1.00 0.00 C ATOM 922 O LYS A 236 -2.602 -7.840 -0.997 1.00 0.00 O ATOM 923 CB LYS A 236 -3.658 -6.243 -2.928 1.00 0.00 C ATOM 924 CG LYS A 236 -4.373 -5.118 -3.657 1.00 0.00 C ATOM 925 CD LYS A 236 -5.771 -5.537 -4.092 1.00 0.00 C ATOM 926 CE LYS A 236 -6.531 -4.382 -4.727 1.00 0.00 C ATOM 927 NZ LYS A 236 -5.896 -3.911 -5.987 1.00 0.00 N ATOM 0 H LYS A 236 -1.463 -5.854 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.545 -4.944 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.441 -7.042 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -4.328 -6.658 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -4.439 -4.246 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.792 -4.822 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -5.700 -6.361 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -6.325 -5.907 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -7.555 -4.694 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -6.587 -3.554 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -6.494 -3.182 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -4.960 -3.510 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -5.789 -4.712 -6.642 1.00 0.00 H new