USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 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= 0.0206 X(o=0.82,f=0.74) USER MOD Set 1.2: A 205 TYR OH : rot -102:sc= 0.802 USER MOD Single : A 186 MET CE :methyl 154:sc= 0 (180deg=-0.76) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= -0.0035 X(o=-0.0035,f=0) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-0.98) USER MOD Single : A 210 LYS NZ :NH3+ 152:sc= -0.0146 (180deg=-0.397) USER MOD Single : A 211 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot -170:sc= 0 USER MOD Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 SER OG : rot 145:sc= 0.0405 USER MOD Single : A 231 ASN : amide:sc= -1.51 K(o=-1.5,f=-5!) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.0566 USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.834 -0.015 -5.128 1.00 0.00 N ATOM 37 CA ILE A 182 -3.368 0.396 -3.817 1.00 0.00 C ATOM 38 C ILE A 182 -2.086 -0.342 -3.453 1.00 0.00 C ATOM 39 O ILE A 182 -2.020 -1.569 -3.543 1.00 0.00 O ATOM 40 CB ILE A 182 -4.433 0.136 -2.724 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.982 -1.289 -2.833 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.567 1.141 -2.833 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.923 -1.670 -1.713 1.00 0.00 C ATOM 0 HA ILE A 182 -3.176 1.468 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.955 0.252 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.503 -1.395 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -4.147 -1.990 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -6.306 0.942 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.173 2.150 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -6.038 1.054 -3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -6.269 -2.693 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -5.401 -1.598 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.778 -0.994 -1.711 1.00 0.00 H new ATOM 55 N VAL A 183 -1.067 0.398 -3.042 1.00 0.00 N ATOM 56 CA VAL A 183 0.187 -0.222 -2.671 1.00 0.00 C ATOM 57 C VAL A 183 0.522 0.058 -1.212 1.00 0.00 C ATOM 58 O VAL A 183 0.407 1.188 -0.742 1.00 0.00 O ATOM 59 CB VAL A 183 1.360 0.218 -3.580 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.056 -0.093 -5.030 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.690 1.691 -3.436 1.00 0.00 C ATOM 0 H VAL A 183 -1.086 1.414 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 183 0.054 -1.295 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 183 2.232 -0.349 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.892 0.224 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 183 0.902 -1.166 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.155 0.439 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.520 1.944 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.818 2.287 -3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.970 1.902 -2.404 1.00 0.00 H new ATOM 71 N VAL A 184 0.931 -0.973 -0.494 1.00 0.00 N ATOM 72 CA VAL A 184 1.272 -0.820 0.908 1.00 0.00 C ATOM 73 C VAL A 184 2.789 -0.727 1.086 1.00 0.00 C ATOM 74 O VAL A 184 3.550 -1.464 0.457 1.00 0.00 O ATOM 75 CB VAL A 184 0.692 -1.980 1.759 1.00 0.00 C ATOM 76 CG1 VAL A 184 -0.809 -2.111 1.520 1.00 0.00 C ATOM 77 CG2 VAL A 184 1.393 -3.300 1.467 1.00 0.00 C ATOM 0 H VAL A 184 1.035 -1.921 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 184 0.824 0.109 1.261 1.00 0.00 H new ATOM 0 HB VAL A 184 0.867 -1.740 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -1.203 -2.929 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -1.305 -1.181 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -0.993 -2.317 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 184 0.958 -4.087 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 184 1.269 -3.553 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 184 2.455 -3.206 1.695 1.00 0.00 H new ATOM 87 N ALA A 185 3.226 0.188 1.936 1.00 0.00 N ATOM 88 CA ALA A 185 4.648 0.373 2.187 1.00 0.00 C ATOM 89 C ALA A 185 5.093 -0.506 3.352 1.00 0.00 C ATOM 90 O ALA A 185 4.651 -0.312 4.483 1.00 0.00 O ATOM 91 CB ALA A 185 4.942 1.837 2.479 1.00 0.00 C ATOM 0 H ALA A 185 2.618 0.814 2.464 1.00 0.00 H new ATOM 0 HA ALA A 185 5.206 0.079 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.008 1.964 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.648 2.445 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.380 2.153 3.358 1.00 0.00 H new ATOM 97 N MET A 186 5.956 -1.476 3.083 1.00 0.00 N ATOM 98 CA MET A 186 6.437 -2.367 4.132 1.00 0.00 C ATOM 99 C MET A 186 7.568 -1.726 4.924 1.00 0.00 C ATOM 100 O MET A 186 7.588 -1.783 6.152 1.00 0.00 O ATOM 101 CB MET A 186 6.908 -3.701 3.549 1.00 0.00 C ATOM 102 CG MET A 186 5.773 -4.618 3.128 1.00 0.00 C ATOM 103 SD MET A 186 6.367 -6.226 2.564 1.00 0.00 S ATOM 104 CE MET A 186 4.846 -7.160 2.482 1.00 0.00 C ATOM 0 H MET A 186 6.335 -1.666 2.155 1.00 0.00 H new ATOM 0 HA MET A 186 5.600 -2.553 4.805 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.545 -3.506 2.686 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.522 -4.214 4.289 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.092 -4.758 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 186 5.202 -4.143 2.330 1.00 0.00 H new ATOM 0 HE1 MET A 186 4.951 -7.962 1.752 1.00 0.00 H new ATOM 0 HE2 MET A 186 4.628 -7.587 3.461 1.00 0.00 H new ATOM 0 HE3 MET A 186 4.030 -6.502 2.183 1.00 0.00 H new ATOM 114 N TYR A 187 8.516 -1.128 4.221 1.00 0.00 N ATOM 115 CA TYR A 187 9.655 -0.490 4.871 1.00 0.00 C ATOM 116 C TYR A 187 9.510 1.026 4.880 1.00 0.00 C ATOM 117 O TYR A 187 8.792 1.595 4.057 1.00 0.00 O ATOM 118 CB TYR A 187 10.954 -0.879 4.165 1.00 0.00 C ATOM 119 CG TYR A 187 11.343 -2.340 4.324 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.660 -3.176 5.204 1.00 0.00 C ATOM 121 CD2 TYR A 187 12.400 -2.880 3.599 1.00 0.00 C ATOM 122 CE1 TYR A 187 11.020 -4.501 5.354 1.00 0.00 C ATOM 123 CE2 TYR A 187 12.763 -4.207 3.746 1.00 0.00 C ATOM 124 CZ TYR A 187 12.068 -5.012 4.622 1.00 0.00 C ATOM 125 OH TYR A 187 12.423 -6.328 4.764 1.00 0.00 O ATOM 0 H TYR A 187 8.522 -1.070 3.203 1.00 0.00 H new ATOM 0 HA TYR A 187 9.685 -0.838 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.857 -0.655 3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.762 -0.257 4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 187 9.835 -2.782 5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 187 12.946 -2.253 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.481 -5.134 6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 187 13.587 -4.610 3.177 1.00 0.00 H new ATOM 0 HH TYR A 187 13.181 -6.528 4.175 1.00 0.00 H new ATOM 135 N ASP A 188 10.213 1.669 5.803 1.00 0.00 N ATOM 136 CA ASP A 188 10.192 3.121 5.924 1.00 0.00 C ATOM 137 C ASP A 188 11.224 3.734 4.997 1.00 0.00 C ATOM 138 O ASP A 188 12.336 3.222 4.863 1.00 0.00 O ATOM 139 CB ASP A 188 10.472 3.528 7.376 1.00 0.00 C ATOM 140 CG ASP A 188 10.546 5.027 7.577 1.00 0.00 C ATOM 141 OD1 ASP A 188 11.545 5.644 7.155 1.00 0.00 O ATOM 142 OD2 ASP A 188 9.607 5.591 8.168 1.00 0.00 O ATOM 0 H ASP A 188 10.811 1.202 6.485 1.00 0.00 H new ATOM 0 HA ASP A 188 9.206 3.488 5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 188 9.690 3.121 8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.412 3.079 7.696 1.00 0.00 H new ATOM 147 N PHE A 189 10.859 4.837 4.367 1.00 0.00 N ATOM 148 CA PHE A 189 11.761 5.526 3.460 1.00 0.00 C ATOM 149 C PHE A 189 11.678 7.028 3.697 1.00 0.00 C ATOM 150 O PHE A 189 10.666 7.533 4.188 1.00 0.00 O ATOM 151 CB PHE A 189 11.433 5.172 2.005 1.00 0.00 C ATOM 152 CG PHE A 189 12.381 5.761 1.002 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.743 5.508 1.080 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.911 6.574 -0.016 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.614 6.057 0.158 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.777 7.124 -0.940 1.00 0.00 C ATOM 157 CZ PHE A 189 14.129 6.866 -0.854 1.00 0.00 C ATOM 0 H PHE A 189 9.943 5.275 4.467 1.00 0.00 H new ATOM 0 HA PHE A 189 12.784 5.203 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.435 4.087 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.423 5.513 1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.126 4.877 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.853 6.780 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.673 5.855 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.396 7.755 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.808 7.295 -1.576 1.00 0.00 H new ATOM 167 N GLN A 190 12.747 7.732 3.371 1.00 0.00 N ATOM 168 CA GLN A 190 12.798 9.172 3.572 1.00 0.00 C ATOM 169 C GLN A 190 13.040 9.922 2.269 1.00 0.00 C ATOM 170 O GLN A 190 13.832 9.493 1.431 1.00 0.00 O ATOM 171 CB GLN A 190 13.902 9.511 4.577 1.00 0.00 C ATOM 172 CG GLN A 190 15.244 8.880 4.246 1.00 0.00 C ATOM 173 CD GLN A 190 16.290 9.138 5.308 1.00 0.00 C ATOM 174 OE1 GLN A 190 16.579 10.285 5.653 1.00 0.00 O ATOM 175 NE2 GLN A 190 16.862 8.066 5.832 1.00 0.00 N ATOM 0 H GLN A 190 13.593 7.331 2.966 1.00 0.00 H new ATOM 0 HA GLN A 190 11.829 9.488 3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 190 14.021 10.594 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 190 13.591 9.183 5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 190 15.115 7.805 4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 190 15.598 9.269 3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 190 16.590 7.136 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 190 17.575 8.170 6.554 1.00 0.00 H new ATOM 184 N ALA A 191 12.378 11.068 2.123 1.00 0.00 N ATOM 185 CA ALA A 191 12.553 11.899 0.942 1.00 0.00 C ATOM 186 C ALA A 191 13.886 12.615 1.044 1.00 0.00 C ATOM 187 O ALA A 191 14.083 13.451 1.930 1.00 0.00 O ATOM 188 CB ALA A 191 11.420 12.905 0.805 1.00 0.00 C ATOM 0 H ALA A 191 11.718 11.438 2.807 1.00 0.00 H new ATOM 0 HA ALA A 191 12.537 11.267 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 191 11.578 13.512 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.471 12.375 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 191 11.398 13.550 1.684 1.00 0.00 H new ATOM 194 N THR A 192 14.812 12.259 0.174 1.00 0.00 N ATOM 195 CA THR A 192 16.142 12.844 0.221 1.00 0.00 C ATOM 196 C THR A 192 16.186 14.243 -0.399 1.00 0.00 C ATOM 197 O THR A 192 17.084 15.026 -0.089 1.00 0.00 O ATOM 198 CB THR A 192 17.147 11.900 -0.459 1.00 0.00 C ATOM 199 OG1 THR A 192 18.486 12.317 -0.226 1.00 0.00 O ATOM 200 CG2 THR A 192 16.961 11.791 -1.955 1.00 0.00 C ATOM 0 H THR A 192 14.672 11.574 -0.568 1.00 0.00 H new ATOM 0 HA THR A 192 16.419 12.966 1.268 1.00 0.00 H new ATOM 0 HB THR A 192 16.954 10.925 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 192 19.103 11.698 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.705 11.108 -2.365 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.962 11.411 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 192 17.081 12.775 -2.409 1.00 0.00 H new ATOM 208 N GLU A 193 15.231 14.572 -1.265 1.00 0.00 N ATOM 209 CA GLU A 193 15.236 15.892 -1.877 1.00 0.00 C ATOM 210 C GLU A 193 13.839 16.424 -2.203 1.00 0.00 C ATOM 211 O GLU A 193 13.404 17.398 -1.589 1.00 0.00 O ATOM 212 CB GLU A 193 16.141 15.910 -3.114 1.00 0.00 C ATOM 213 CG GLU A 193 15.946 14.747 -4.074 1.00 0.00 C ATOM 214 CD GLU A 193 17.034 14.704 -5.118 1.00 0.00 C ATOM 215 OE1 GLU A 193 18.185 14.397 -4.764 1.00 0.00 O ATOM 216 OE2 GLU A 193 16.747 15.017 -6.289 1.00 0.00 O ATOM 0 H GLU A 193 14.466 13.961 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 193 15.642 16.574 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 193 15.971 16.840 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 193 17.180 15.918 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 193 15.938 13.811 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 193 14.975 14.835 -4.562 1.00 0.00 H new ATOM 223 N ALA A 194 13.138 15.827 -3.171 1.00 0.00 N ATOM 224 CA ALA A 194 11.807 16.328 -3.534 1.00 0.00 C ATOM 225 C ALA A 194 10.929 15.274 -4.199 1.00 0.00 C ATOM 226 O ALA A 194 9.858 14.948 -3.687 1.00 0.00 O ATOM 227 CB ALA A 194 11.934 17.539 -4.447 1.00 0.00 C ATOM 0 H ALA A 194 13.457 15.019 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 194 11.317 16.608 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 194 10.941 17.902 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 194 12.484 18.327 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 194 12.469 17.256 -5.354 1.00 0.00 H new ATOM 233 N HIS A 195 11.360 14.766 -5.355 1.00 0.00 N ATOM 234 CA HIS A 195 10.570 13.770 -6.085 1.00 0.00 C ATOM 235 C HIS A 195 10.423 12.472 -5.294 1.00 0.00 C ATOM 236 O HIS A 195 9.531 11.673 -5.570 1.00 0.00 O ATOM 237 CB HIS A 195 11.146 13.492 -7.488 1.00 0.00 C ATOM 238 CG HIS A 195 12.560 12.987 -7.523 1.00 0.00 C ATOM 239 ND1 HIS A 195 13.655 13.756 -7.186 1.00 0.00 N ATOM 240 CD2 HIS A 195 13.053 11.778 -7.884 1.00 0.00 C ATOM 241 CE1 HIS A 195 14.754 13.041 -7.341 1.00 0.00 C ATOM 242 NE2 HIS A 195 14.418 11.836 -7.765 1.00 0.00 N ATOM 0 H HIS A 195 12.240 15.023 -5.802 1.00 0.00 H new ATOM 0 HA HIS A 195 9.576 14.197 -6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 195 10.507 12.762 -7.985 1.00 0.00 H new ATOM 0 HB3 HIS A 195 11.093 14.412 -8.071 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.476 10.924 -8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 195 15.760 13.384 -7.152 1.00 0.00 H new ATOM 0 HE2 HIS A 195 15.066 11.075 -7.970 1.00 0.00 H new ATOM 251 N ASP A 196 11.277 12.277 -4.292 1.00 0.00 N ATOM 252 CA ASP A 196 11.201 11.093 -3.446 1.00 0.00 C ATOM 253 C ASP A 196 10.135 11.314 -2.384 1.00 0.00 C ATOM 254 O ASP A 196 9.970 12.431 -1.888 1.00 0.00 O ATOM 255 CB ASP A 196 12.554 10.811 -2.780 1.00 0.00 C ATOM 256 CG ASP A 196 13.599 10.300 -3.751 1.00 0.00 C ATOM 257 OD1 ASP A 196 13.281 10.142 -4.945 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.743 10.056 -3.316 1.00 0.00 O ATOM 0 H ASP A 196 12.027 12.923 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 196 10.941 10.231 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.919 11.725 -2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 196 12.415 10.078 -1.985 1.00 0.00 H new ATOM 263 N LEU A 197 9.403 10.269 -2.034 1.00 0.00 N ATOM 264 CA LEU A 197 8.355 10.392 -1.030 1.00 0.00 C ATOM 265 C LEU A 197 8.664 9.494 0.160 1.00 0.00 C ATOM 266 O LEU A 197 9.344 8.480 0.019 1.00 0.00 O ATOM 267 CB LEU A 197 6.996 10.031 -1.648 1.00 0.00 C ATOM 268 CG LEU A 197 5.799 10.866 -1.168 1.00 0.00 C ATOM 269 CD1 LEU A 197 5.357 10.442 0.223 1.00 0.00 C ATOM 270 CD2 LEU A 197 6.148 12.342 -1.178 1.00 0.00 C ATOM 0 H LEU A 197 9.512 9.333 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 197 8.312 11.423 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 197 7.073 10.130 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.790 8.981 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 197 4.971 10.692 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 197 4.508 11.050 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 197 5.065 9.392 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 197 6.180 10.579 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 197 5.290 12.921 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 197 6.994 12.520 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.410 12.647 -2.191 1.00 0.00 H new ATOM 282 N ARG A 198 8.175 9.874 1.331 1.00 0.00 N ATOM 283 CA ARG A 198 8.415 9.100 2.534 1.00 0.00 C ATOM 284 C ARG A 198 7.474 7.907 2.632 1.00 0.00 C ATOM 285 O ARG A 198 6.270 8.024 2.401 1.00 0.00 O ATOM 286 CB ARG A 198 8.275 9.969 3.778 1.00 0.00 C ATOM 287 CG ARG A 198 9.360 11.020 3.903 1.00 0.00 C ATOM 288 CD ARG A 198 9.802 11.161 5.347 1.00 0.00 C ATOM 289 NE ARG A 198 10.200 9.867 5.914 1.00 0.00 N ATOM 290 CZ ARG A 198 10.678 9.715 7.151 1.00 0.00 C ATOM 291 NH1 ARG A 198 10.865 10.775 7.920 1.00 0.00 N ATOM 292 NH2 ARG A 198 11.013 8.509 7.600 1.00 0.00 N ATOM 0 H ARG A 198 7.611 10.712 1.471 1.00 0.00 H new ATOM 0 HA ARG A 198 9.437 8.726 2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 198 7.303 10.461 3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 198 8.294 9.331 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 198 10.212 10.746 3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 198 8.991 11.977 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 198 10.637 11.859 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 198 8.990 11.585 5.938 1.00 0.00 H new ATOM 0 HE ARG A 198 10.106 9.036 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 198 10.644 11.706 7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 198 11.230 10.661 8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 198 10.905 7.693 6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 198 11.378 8.400 8.546 1.00 0.00 H new ATOM 306 N LEU A 199 8.032 6.765 2.999 1.00 0.00 N ATOM 307 CA LEU A 199 7.257 5.547 3.155 1.00 0.00 C ATOM 308 C LEU A 199 7.038 5.266 4.629 1.00 0.00 C ATOM 309 O LEU A 199 7.951 5.451 5.434 1.00 0.00 O ATOM 310 CB LEU A 199 7.984 4.356 2.526 1.00 0.00 C ATOM 311 CG LEU A 199 7.900 4.228 1.002 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.488 5.442 0.304 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.626 2.970 0.554 1.00 0.00 C ATOM 0 H LEU A 199 9.027 6.657 3.196 1.00 0.00 H new ATOM 0 HA LEU A 199 6.300 5.685 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.036 4.413 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.586 3.442 2.967 1.00 0.00 H new ATOM 0 HG LEU A 199 6.847 4.165 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 199 8.410 5.314 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.940 6.335 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.536 5.549 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 199 8.565 2.881 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 199 9.672 3.027 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 199 8.163 2.098 1.016 1.00 0.00 H new ATOM 325 N GLU A 200 5.843 4.816 4.978 1.00 0.00 N ATOM 326 CA GLU A 200 5.529 4.506 6.360 1.00 0.00 C ATOM 327 C GLU A 200 5.153 3.038 6.485 1.00 0.00 C ATOM 328 O GLU A 200 4.584 2.455 5.562 1.00 0.00 O ATOM 329 CB GLU A 200 4.399 5.405 6.862 1.00 0.00 C ATOM 330 CG GLU A 200 4.191 5.338 8.366 1.00 0.00 C ATOM 331 CD GLU A 200 5.446 5.670 9.144 1.00 0.00 C ATOM 332 OE1 GLU A 200 5.956 6.799 8.997 1.00 0.00 O ATOM 333 OE2 GLU A 200 5.921 4.805 9.899 1.00 0.00 O ATOM 0 H GLU A 200 5.077 4.658 4.323 1.00 0.00 H new ATOM 0 HA GLU A 200 6.407 4.693 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 200 4.613 6.436 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 200 3.472 5.123 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 200 3.398 6.030 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.854 4.338 8.638 1.00 0.00 H new ATOM 340 N ARG A 201 5.499 2.448 7.618 1.00 0.00 N ATOM 341 CA ARG A 201 5.237 1.038 7.874 1.00 0.00 C ATOM 342 C ARG A 201 3.742 0.733 7.949 1.00 0.00 C ATOM 343 O ARG A 201 3.078 1.087 8.922 1.00 0.00 O ATOM 344 CB ARG A 201 5.917 0.621 9.179 1.00 0.00 C ATOM 345 CG ARG A 201 7.340 1.150 9.307 1.00 0.00 C ATOM 346 CD ARG A 201 7.987 0.729 10.619 1.00 0.00 C ATOM 347 NE ARG A 201 9.269 1.398 10.832 1.00 0.00 N ATOM 348 CZ ARG A 201 10.369 1.158 10.121 1.00 0.00 C ATOM 349 NH1 ARG A 201 10.384 0.192 9.211 1.00 0.00 N ATOM 350 NH2 ARG A 201 11.457 1.873 10.338 1.00 0.00 N ATOM 0 H ARG A 201 5.968 2.930 8.385 1.00 0.00 H new ATOM 0 HA ARG A 201 5.644 0.468 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.325 0.980 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.933 -0.467 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.939 0.785 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.330 2.238 9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 201 7.315 0.959 11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.136 -0.351 10.621 1.00 0.00 H new ATOM 0 HE ARG A 201 9.325 2.095 11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.549 -0.372 9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 201 11.230 0.014 8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 201 11.453 2.606 11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 201 12.302 1.693 9.796 1.00 0.00 H new ATOM 364 N GLY A 202 3.230 0.052 6.927 1.00 0.00 N ATOM 365 CA GLY A 202 1.826 -0.322 6.903 1.00 0.00 C ATOM 366 C GLY A 202 0.911 0.791 6.443 1.00 0.00 C ATOM 367 O GLY A 202 -0.201 0.932 6.953 1.00 0.00 O ATOM 0 H GLY A 202 3.765 -0.248 6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.699 -1.181 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.526 -0.639 7.902 1.00 0.00 H new ATOM 371 N GLN A 203 1.364 1.575 5.478 1.00 0.00 N ATOM 372 CA GLN A 203 0.559 2.669 4.958 1.00 0.00 C ATOM 373 C GLN A 203 0.185 2.409 3.504 1.00 0.00 C ATOM 374 O GLN A 203 1.037 2.046 2.690 1.00 0.00 O ATOM 375 CB GLN A 203 1.311 3.990 5.097 1.00 0.00 C ATOM 376 CG GLN A 203 0.426 5.215 4.939 1.00 0.00 C ATOM 377 CD GLN A 203 0.971 6.409 5.688 1.00 0.00 C ATOM 378 OE1 GLN A 203 1.088 6.383 6.914 1.00 0.00 O ATOM 379 NE2 GLN A 203 1.311 7.457 4.966 1.00 0.00 N ATOM 0 H GLN A 203 2.280 1.475 5.041 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.361 2.735 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.792 4.023 6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.104 4.027 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 203 0.334 5.462 3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -0.576 4.987 5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.198 7.437 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.688 8.289 5.420 1.00 0.00 H new ATOM 388 N GLU A 204 -1.094 2.584 3.193 1.00 0.00 N ATOM 389 CA GLU A 204 -1.595 2.359 1.841 1.00 0.00 C ATOM 390 C GLU A 204 -1.476 3.613 0.989 1.00 0.00 C ATOM 391 O GLU A 204 -1.970 4.680 1.352 1.00 0.00 O ATOM 392 CB GLU A 204 -3.058 1.916 1.877 1.00 0.00 C ATOM 393 CG GLU A 204 -3.323 0.703 2.756 1.00 0.00 C ATOM 394 CD GLU A 204 -4.789 0.321 2.800 1.00 0.00 C ATOM 395 OE1 GLU A 204 -5.587 0.916 2.046 1.00 0.00 O ATOM 396 OE2 GLU A 204 -5.142 -0.571 3.591 1.00 0.00 O ATOM 0 H GLU A 204 -1.805 2.882 3.860 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.984 1.573 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.668 2.747 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -3.383 1.692 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -2.743 -0.142 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.975 0.910 3.768 1.00 0.00 H new ATOM 403 N TYR A 205 -0.838 3.462 -0.155 1.00 0.00 N ATOM 404 CA TYR A 205 -0.658 4.553 -1.094 1.00 0.00 C ATOM 405 C TYR A 205 -1.297 4.200 -2.428 1.00 0.00 C ATOM 406 O TYR A 205 -1.280 3.048 -2.840 1.00 0.00 O ATOM 407 CB TYR A 205 0.832 4.825 -1.320 1.00 0.00 C ATOM 408 CG TYR A 205 1.560 5.424 -0.144 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.271 6.710 0.293 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.550 4.710 0.517 1.00 0.00 C ATOM 411 CE1 TYR A 205 1.957 7.267 1.358 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.234 5.256 1.580 1.00 0.00 C ATOM 413 CZ TYR A 205 2.936 6.534 1.997 1.00 0.00 C ATOM 414 OH TYR A 205 3.625 7.079 3.054 1.00 0.00 O ATOM 0 H TYR A 205 -0.429 2.579 -0.460 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.131 5.443 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.319 3.888 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.937 5.496 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.502 7.282 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 205 2.788 3.708 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.727 8.270 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.000 4.685 2.084 1.00 0.00 H new ATOM 0 HH TYR A 205 4.509 7.374 2.751 1.00 0.00 H new ATOM 424 N ILE A 206 -1.824 5.190 -3.119 1.00 0.00 N ATOM 425 CA ILE A 206 -2.415 4.957 -4.423 1.00 0.00 C ATOM 426 C ILE A 206 -1.342 5.203 -5.478 1.00 0.00 C ATOM 427 O ILE A 206 -1.042 6.349 -5.809 1.00 0.00 O ATOM 428 CB ILE A 206 -3.634 5.874 -4.701 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.670 5.778 -3.575 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.278 5.518 -6.028 1.00 0.00 C ATOM 431 CD1 ILE A 206 -4.413 6.715 -2.411 1.00 0.00 C ATOM 0 H ILE A 206 -1.856 6.159 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.780 3.930 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.271 6.901 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.657 5.990 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.692 4.753 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.132 6.172 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.551 5.644 -6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.615 4.482 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -5.191 6.583 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -3.442 6.490 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -4.421 7.746 -2.765 1.00 0.00 H new ATOM 443 N ILE A 207 -0.732 4.127 -5.961 1.00 0.00 N ATOM 444 CA ILE A 207 0.342 4.223 -6.932 1.00 0.00 C ATOM 445 C ILE A 207 -0.121 4.902 -8.227 1.00 0.00 C ATOM 446 O ILE A 207 -1.134 4.545 -8.828 1.00 0.00 O ATOM 447 CB ILE A 207 0.968 2.828 -7.174 1.00 0.00 C ATOM 448 CG1 ILE A 207 2.167 2.895 -8.123 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.068 1.828 -7.657 1.00 0.00 C ATOM 450 CD1 ILE A 207 1.826 2.680 -9.584 1.00 0.00 C ATOM 0 H ILE A 207 -0.968 3.172 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 207 1.123 4.866 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 207 1.341 2.476 -6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 207 2.646 3.868 -8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.897 2.145 -7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.407 0.860 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -0.854 1.728 -6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -0.502 2.178 -8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.734 2.744 -10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 207 1.376 1.695 -9.712 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.122 3.445 -9.910 1.00 0.00 H new ATOM 462 N LEU A 208 0.636 5.920 -8.604 1.00 0.00 N ATOM 463 CA LEU A 208 0.364 6.735 -9.778 1.00 0.00 C ATOM 464 C LEU A 208 1.199 6.284 -10.977 1.00 0.00 C ATOM 465 O LEU A 208 0.659 5.835 -11.991 1.00 0.00 O ATOM 466 CB LEU A 208 0.697 8.195 -9.449 1.00 0.00 C ATOM 467 CG LEU A 208 0.198 8.676 -8.086 1.00 0.00 C ATOM 468 CD1 LEU A 208 1.011 9.865 -7.603 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.275 9.031 -8.148 1.00 0.00 C ATOM 0 H LEU A 208 1.471 6.208 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 208 -0.688 6.627 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.779 8.324 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 208 0.270 8.833 -10.222 1.00 0.00 H new ATOM 0 HG LEU A 208 0.325 7.861 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 208 0.638 10.190 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 208 2.058 9.577 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.921 10.682 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -1.609 9.371 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.427 9.825 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -1.849 8.152 -8.442 1.00 0.00 H new ATOM 481 N GLU A 209 2.518 6.423 -10.857 1.00 0.00 N ATOM 482 CA GLU A 209 3.445 6.059 -11.926 1.00 0.00 C ATOM 483 C GLU A 209 4.186 4.769 -11.590 1.00 0.00 C ATOM 484 O GLU A 209 4.499 4.510 -10.428 1.00 0.00 O ATOM 485 CB GLU A 209 4.432 7.209 -12.149 1.00 0.00 C ATOM 486 CG GLU A 209 3.738 8.541 -12.402 1.00 0.00 C ATOM 487 CD GLU A 209 4.697 9.709 -12.461 1.00 0.00 C ATOM 488 OE1 GLU A 209 5.913 9.487 -12.324 1.00 0.00 O ATOM 489 OE2 GLU A 209 4.230 10.852 -12.637 1.00 0.00 O ATOM 0 H GLU A 209 2.972 6.789 -10.020 1.00 0.00 H new ATOM 0 HA GLU A 209 2.882 5.884 -12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 209 5.079 7.301 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 209 5.074 6.972 -12.998 1.00 0.00 H new ATOM 0 HG2 GLU A 209 3.187 8.484 -13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 209 3.007 8.718 -11.613 1.00 0.00 H new ATOM 496 N LYS A 210 4.451 3.959 -12.611 1.00 0.00 N ATOM 497 CA LYS A 210 5.141 2.683 -12.427 1.00 0.00 C ATOM 498 C LYS A 210 6.661 2.855 -12.501 1.00 0.00 C ATOM 499 O LYS A 210 7.335 2.853 -11.477 1.00 0.00 O ATOM 500 CB LYS A 210 4.672 1.679 -13.483 1.00 0.00 C ATOM 501 CG LYS A 210 4.858 0.223 -13.087 1.00 0.00 C ATOM 502 CD LYS A 210 4.354 -0.708 -14.182 1.00 0.00 C ATOM 503 CE LYS A 210 4.319 -2.161 -13.726 1.00 0.00 C ATOM 504 NZ LYS A 210 3.391 -2.369 -12.579 1.00 0.00 N ATOM 0 H LYS A 210 4.198 4.163 -13.578 1.00 0.00 H new ATOM 0 HA LYS A 210 4.895 2.305 -11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.617 1.855 -13.691 1.00 0.00 H new ATOM 0 HB3 LYS A 210 5.215 1.864 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 210 5.913 0.027 -12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 210 4.322 0.023 -12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 210 3.354 -0.400 -14.488 1.00 0.00 H new ATOM 0 HD3 LYS A 210 4.997 -0.619 -15.058 1.00 0.00 H new ATOM 0 HE2 LYS A 210 4.012 -2.794 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 210 5.323 -2.475 -13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 3.029 -3.344 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 3.900 -2.206 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 2.595 -1.703 -12.651 1.00 0.00 H new ATOM 518 N ASN A 211 7.189 3.000 -13.720 1.00 0.00 N ATOM 519 CA ASN A 211 8.635 3.167 -13.937 1.00 0.00 C ATOM 520 C ASN A 211 9.441 2.021 -13.328 1.00 0.00 C ATOM 521 O ASN A 211 10.218 2.228 -12.388 1.00 0.00 O ATOM 522 CB ASN A 211 9.121 4.507 -13.376 1.00 0.00 C ATOM 523 CG ASN A 211 8.712 5.677 -14.241 1.00 0.00 C ATOM 524 OD1 ASN A 211 7.525 5.997 -14.360 1.00 0.00 O ATOM 525 ND2 ASN A 211 9.686 6.317 -14.873 1.00 0.00 N ATOM 0 H ASN A 211 6.636 3.005 -14.577 1.00 0.00 H new ATOM 0 HA ASN A 211 8.798 3.154 -15.015 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.720 4.644 -12.372 1.00 0.00 H new ATOM 0 HB3 ASN A 211 10.207 4.488 -13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 211 9.467 7.104 -15.484 1.00 0.00 H new ATOM 0 HD22 ASN A 211 10.655 6.022 -14.749 1.00 0.00 H new ATOM 532 N ASP A 212 9.246 0.819 -13.880 1.00 0.00 N ATOM 533 CA ASP A 212 9.934 -0.389 -13.421 1.00 0.00 C ATOM 534 C ASP A 212 9.598 -0.659 -11.956 1.00 0.00 C ATOM 535 O ASP A 212 8.670 -0.077 -11.411 1.00 0.00 O ATOM 536 CB ASP A 212 11.455 -0.266 -13.630 1.00 0.00 C ATOM 537 CG ASP A 212 12.165 -1.604 -13.670 1.00 0.00 C ATOM 538 OD1 ASP A 212 11.489 -2.642 -13.549 1.00 0.00 O ATOM 539 OD2 ASP A 212 13.401 -1.617 -13.830 1.00 0.00 O ATOM 0 H ASP A 212 8.606 0.658 -14.658 1.00 0.00 H new ATOM 0 HA ASP A 212 9.588 -1.236 -14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.645 0.266 -14.562 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.877 0.338 -12.827 1.00 0.00 H new ATOM 544 N LEU A 213 10.338 -1.551 -11.329 1.00 0.00 N ATOM 545 CA LEU A 213 10.104 -1.891 -9.933 1.00 0.00 C ATOM 546 C LEU A 213 10.948 -1.011 -9.012 1.00 0.00 C ATOM 547 O LEU A 213 11.379 -1.450 -7.946 1.00 0.00 O ATOM 548 CB LEU A 213 10.436 -3.367 -9.695 1.00 0.00 C ATOM 549 CG LEU A 213 9.693 -4.355 -10.599 1.00 0.00 C ATOM 550 CD1 LEU A 213 10.253 -5.753 -10.427 1.00 0.00 C ATOM 551 CD2 LEU A 213 8.206 -4.338 -10.295 1.00 0.00 C ATOM 0 H LEU A 213 11.110 -2.057 -11.763 1.00 0.00 H new ATOM 0 HA LEU A 213 9.052 -1.716 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.508 -3.509 -9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 213 10.213 -3.611 -8.656 1.00 0.00 H new ATOM 0 HG LEU A 213 9.836 -4.050 -11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 213 9.714 -6.443 -11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 213 11.310 -5.756 -10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 213 10.138 -6.066 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 213 7.693 -5.046 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 213 8.044 -4.620 -9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 213 7.811 -3.336 -10.465 1.00 0.00 H new ATOM 563 N HIS A 214 11.205 0.224 -9.436 1.00 0.00 N ATOM 564 CA HIS A 214 12.028 1.137 -8.652 1.00 0.00 C ATOM 565 C HIS A 214 11.310 2.439 -8.317 1.00 0.00 C ATOM 566 O HIS A 214 11.132 2.770 -7.150 1.00 0.00 O ATOM 567 CB HIS A 214 13.320 1.466 -9.411 1.00 0.00 C ATOM 568 CG HIS A 214 14.204 0.286 -9.649 1.00 0.00 C ATOM 569 ND1 HIS A 214 14.814 -0.416 -8.635 1.00 0.00 N ATOM 570 CD2 HIS A 214 14.566 -0.321 -10.800 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.518 -1.406 -9.153 1.00 0.00 C ATOM 572 NE2 HIS A 214 15.383 -1.372 -10.469 1.00 0.00 N ATOM 0 H HIS A 214 10.857 0.612 -10.313 1.00 0.00 H new ATOM 0 HA HIS A 214 12.251 0.627 -7.715 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.061 1.912 -10.371 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.877 2.217 -8.850 1.00 0.00 H new ATOM 0 HD2 HIS A 214 14.267 -0.032 -11.797 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.105 -2.122 -8.597 1.00 0.00 H new ATOM 0 HE2 HIS A 214 15.815 -2.020 -11.128 1.00 0.00 H new ATOM 581 N TRP A 215 10.949 3.199 -9.340 1.00 0.00 N ATOM 582 CA TRP A 215 10.316 4.494 -9.125 1.00 0.00 C ATOM 583 C TRP A 215 8.792 4.456 -9.182 1.00 0.00 C ATOM 584 O TRP A 215 8.183 5.148 -9.998 1.00 0.00 O ATOM 585 CB TRP A 215 10.852 5.503 -10.137 1.00 0.00 C ATOM 586 CG TRP A 215 12.319 5.758 -9.983 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.314 5.425 -10.859 1.00 0.00 C ATOM 588 CD2 TRP A 215 12.961 6.398 -8.876 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.531 5.822 -10.362 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.339 6.422 -9.145 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.497 6.950 -7.681 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.261 6.983 -8.268 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.409 7.507 -6.808 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.779 7.521 -7.105 1.00 0.00 C ATOM 0 H TRP A 215 11.081 2.946 -10.319 1.00 0.00 H new ATOM 0 HA TRP A 215 10.572 4.796 -8.109 1.00 0.00 H new ATOM 0 HB2 TRP A 215 10.655 5.138 -11.145 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.311 6.443 -10.027 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.165 4.923 -11.804 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.431 5.692 -10.823 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.443 6.941 -7.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.317 6.994 -8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 13.062 7.939 -5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 215 15.468 7.965 -6.402 1.00 0.00 H new ATOM 605 N TRP A 216 8.181 3.705 -8.276 1.00 0.00 N ATOM 606 CA TRP A 216 6.727 3.645 -8.202 1.00 0.00 C ATOM 607 C TRP A 216 6.208 4.889 -7.510 1.00 0.00 C ATOM 608 O TRP A 216 6.153 4.944 -6.288 1.00 0.00 O ATOM 609 CB TRP A 216 6.265 2.411 -7.423 1.00 0.00 C ATOM 610 CG TRP A 216 6.098 1.187 -8.264 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.840 0.823 -9.343 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.141 0.145 -8.064 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.394 -0.377 -9.835 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.352 -0.816 -9.065 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.123 -0.064 -7.134 1.00 0.00 C ATOM 616 CZ2 TRP A 216 4.583 -1.970 -9.160 1.00 0.00 C ATOM 617 CZ3 TRP A 216 3.361 -1.206 -7.231 1.00 0.00 C ATOM 618 CH2 TRP A 216 3.594 -2.149 -8.235 1.00 0.00 C ATOM 0 H TRP A 216 8.666 3.132 -7.586 1.00 0.00 H new ATOM 0 HA TRP A 216 6.335 3.583 -9.217 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.987 2.201 -6.634 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.317 2.636 -6.935 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.660 1.394 -9.753 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.778 -0.864 -10.645 1.00 0.00 H new ATOM 0 HE3 TRP A 216 3.936 0.657 -6.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 4.761 -2.699 -9.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.568 -1.376 -6.518 1.00 0.00 H new ATOM 0 HH2 TRP A 216 2.980 -3.037 -8.281 1.00 0.00 H new ATOM 629 N ARG A 217 5.815 5.887 -8.278 1.00 0.00 N ATOM 630 CA ARG A 217 5.305 7.110 -7.688 1.00 0.00 C ATOM 631 C ARG A 217 3.902 6.854 -7.201 1.00 0.00 C ATOM 632 O ARG A 217 3.004 6.649 -7.996 1.00 0.00 O ATOM 633 CB ARG A 217 5.311 8.255 -8.708 1.00 0.00 C ATOM 634 CG ARG A 217 4.843 9.584 -8.138 1.00 0.00 C ATOM 635 CD ARG A 217 5.211 10.752 -9.036 1.00 0.00 C ATOM 636 NE ARG A 217 5.116 12.024 -8.330 1.00 0.00 N ATOM 637 CZ ARG A 217 5.354 13.201 -8.899 1.00 0.00 C ATOM 638 NH1 ARG A 217 5.671 13.260 -10.185 1.00 0.00 N ATOM 639 NH2 ARG A 217 5.286 14.308 -8.180 1.00 0.00 N ATOM 0 H ARG A 217 5.838 5.877 -9.298 1.00 0.00 H new ATOM 0 HA ARG A 217 5.944 7.406 -6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.321 8.374 -9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.671 7.985 -9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 217 3.762 9.559 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.285 9.731 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 217 6.226 10.618 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.551 10.767 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 217 4.852 12.010 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 217 5.732 12.403 -10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 217 5.854 14.162 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 217 5.051 14.259 -7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 217 5.469 15.212 -8.616 1.00 0.00 H new ATOM 653 N ALA A 218 3.720 6.845 -5.891 1.00 0.00 N ATOM 654 CA ALA A 218 2.406 6.588 -5.322 1.00 0.00 C ATOM 655 C ALA A 218 1.813 7.869 -4.755 1.00 0.00 C ATOM 656 O ALA A 218 2.393 8.935 -4.922 1.00 0.00 O ATOM 657 CB ALA A 218 2.482 5.494 -4.272 1.00 0.00 C ATOM 0 H ALA A 218 4.458 7.011 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 218 1.744 6.237 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.489 5.317 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.854 4.577 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.158 5.802 -3.474 1.00 0.00 H new ATOM 663 N ARG A 219 0.645 7.772 -4.130 1.00 0.00 N ATOM 664 CA ARG A 219 -0.025 8.953 -3.594 1.00 0.00 C ATOM 665 C ARG A 219 -0.729 8.671 -2.270 1.00 0.00 C ATOM 666 O ARG A 219 -1.242 7.577 -2.046 1.00 0.00 O ATOM 667 CB ARG A 219 -1.063 9.439 -4.609 1.00 0.00 C ATOM 668 CG ARG A 219 -1.783 10.719 -4.215 1.00 0.00 C ATOM 669 CD ARG A 219 -3.099 10.859 -4.954 1.00 0.00 C ATOM 670 NE ARG A 219 -4.036 9.794 -4.605 1.00 0.00 N ATOM 671 CZ ARG A 219 -5.277 9.720 -5.099 1.00 0.00 C ATOM 672 NH1 ARG A 219 -5.688 10.616 -5.989 1.00 0.00 N ATOM 673 NH2 ARG A 219 -6.090 8.738 -4.732 1.00 0.00 N ATOM 0 H ARG A 219 0.145 6.895 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 219 0.737 9.711 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.569 9.596 -5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.803 8.652 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -1.965 10.721 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.148 11.578 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -3.545 11.826 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.915 10.843 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.729 9.072 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -5.058 11.358 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -6.634 10.562 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.770 8.032 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -7.035 8.689 -5.113 1.00 0.00 H new ATOM 687 N ASP A 220 -0.780 9.689 -1.421 1.00 0.00 N ATOM 688 CA ASP A 220 -1.448 9.598 -0.136 1.00 0.00 C ATOM 689 C ASP A 220 -2.582 10.617 -0.090 1.00 0.00 C ATOM 690 O ASP A 220 -3.737 10.264 0.144 1.00 0.00 O ATOM 691 CB ASP A 220 -0.465 9.858 1.013 1.00 0.00 C ATOM 692 CG ASP A 220 -1.062 9.583 2.379 1.00 0.00 C ATOM 693 OD1 ASP A 220 -2.064 10.231 2.740 1.00 0.00 O ATOM 694 OD2 ASP A 220 -0.525 8.715 3.097 1.00 0.00 O ATOM 0 H ASP A 220 -0.359 10.599 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 220 -1.848 8.591 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 220 0.418 9.234 0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -0.132 10.895 0.971 1.00 0.00 H new ATOM 699 N LYS A 221 -2.246 11.891 -0.320 1.00 0.00 N ATOM 700 CA LYS A 221 -3.242 12.961 -0.299 1.00 0.00 C ATOM 701 C LYS A 221 -3.952 13.107 -1.651 1.00 0.00 C ATOM 702 O LYS A 221 -4.627 12.179 -2.099 1.00 0.00 O ATOM 703 CB LYS A 221 -2.615 14.288 0.159 1.00 0.00 C ATOM 704 CG LYS A 221 -1.336 14.679 -0.573 1.00 0.00 C ATOM 705 CD LYS A 221 -0.573 15.761 0.178 1.00 0.00 C ATOM 706 CE LYS A 221 -1.357 17.060 0.262 1.00 0.00 C ATOM 707 NZ LYS A 221 -0.636 18.095 1.052 1.00 0.00 N ATOM 0 H LYS A 221 -1.296 12.203 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 221 -4.005 12.685 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -3.349 15.084 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -2.401 14.223 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -0.701 13.801 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -1.582 15.034 -1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -0.344 15.410 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 221 0.379 15.944 -0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -1.544 17.436 -0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -2.329 16.868 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -1.205 18.965 1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -0.480 17.747 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 0.281 18.297 0.604 1.00 0.00 H new ATOM 721 N TYR A 222 -3.840 14.269 -2.291 1.00 0.00 N ATOM 722 CA TYR A 222 -4.524 14.492 -3.562 1.00 0.00 C ATOM 723 C TYR A 222 -3.622 15.074 -4.652 1.00 0.00 C ATOM 724 O TYR A 222 -3.820 16.202 -5.094 1.00 0.00 O ATOM 725 CB TYR A 222 -5.734 15.406 -3.346 1.00 0.00 C ATOM 726 CG TYR A 222 -5.518 16.489 -2.301 1.00 0.00 C ATOM 727 CD1 TYR A 222 -4.542 17.470 -2.463 1.00 0.00 C ATOM 728 CD2 TYR A 222 -6.294 16.526 -1.153 1.00 0.00 C ATOM 729 CE1 TYR A 222 -4.351 18.450 -1.508 1.00 0.00 C ATOM 730 CE2 TYR A 222 -6.108 17.504 -0.196 1.00 0.00 C ATOM 731 CZ TYR A 222 -5.139 18.463 -0.379 1.00 0.00 C ATOM 732 OH TYR A 222 -4.955 19.440 0.572 1.00 0.00 O ATOM 0 H TYR A 222 -3.290 15.060 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 222 -4.843 13.512 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -5.993 15.878 -4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.588 14.796 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.925 17.464 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -7.058 15.777 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -3.588 19.202 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -6.721 17.516 0.693 1.00 0.00 H new ATOM 0 HH TYR A 222 -5.592 19.307 1.305 1.00 0.00 H new ATOM 742 N GLY A 223 -2.667 14.286 -5.118 1.00 0.00 N ATOM 743 CA GLY A 223 -1.795 14.738 -6.192 1.00 0.00 C ATOM 744 C GLY A 223 -0.613 15.563 -5.719 1.00 0.00 C ATOM 745 O GLY A 223 -0.166 16.473 -6.418 1.00 0.00 O ATOM 0 H GLY A 223 -2.476 13.344 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -1.424 13.869 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.380 15.330 -6.897 1.00 0.00 H new ATOM 749 N SER A 224 -0.098 15.247 -4.544 1.00 0.00 N ATOM 750 CA SER A 224 1.044 15.963 -3.991 1.00 0.00 C ATOM 751 C SER A 224 2.038 14.961 -3.421 1.00 0.00 C ATOM 752 O SER A 224 2.593 15.159 -2.338 1.00 0.00 O ATOM 753 CB SER A 224 0.580 16.923 -2.891 1.00 0.00 C ATOM 754 OG SER A 224 -0.566 17.665 -3.296 1.00 0.00 O ATOM 0 H SER A 224 -0.452 14.497 -3.951 1.00 0.00 H new ATOM 0 HA SER A 224 1.524 16.542 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 224 0.349 16.359 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 224 1.389 17.609 -2.640 1.00 0.00 H new ATOM 0 HG SER A 224 -0.743 18.375 -2.644 1.00 0.00 H new ATOM 760 N GLU A 225 2.232 13.862 -4.139 1.00 0.00 N ATOM 761 CA GLU A 225 3.120 12.808 -3.683 1.00 0.00 C ATOM 762 C GLU A 225 4.356 12.667 -4.565 1.00 0.00 C ATOM 763 O GLU A 225 4.692 13.573 -5.331 1.00 0.00 O ATOM 764 CB GLU A 225 2.337 11.515 -3.597 1.00 0.00 C ATOM 765 CG GLU A 225 1.149 11.636 -2.658 1.00 0.00 C ATOM 766 CD GLU A 225 1.558 11.850 -1.217 1.00 0.00 C ATOM 767 OE1 GLU A 225 2.357 11.051 -0.706 1.00 0.00 O ATOM 768 OE2 GLU A 225 1.062 12.807 -0.595 1.00 0.00 O ATOM 0 H GLU A 225 1.786 13.680 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 225 3.497 13.069 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 225 1.988 11.235 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 225 2.993 10.715 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.521 12.467 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 225 0.543 10.733 -2.728 1.00 0.00 H new ATOM 775 N GLY A 226 5.043 11.538 -4.443 1.00 0.00 N ATOM 776 CA GLY A 226 6.251 11.326 -5.215 1.00 0.00 C ATOM 777 C GLY A 226 6.584 9.864 -5.442 1.00 0.00 C ATOM 778 O GLY A 226 5.763 8.973 -5.189 1.00 0.00 O ATOM 0 H GLY A 226 4.786 10.768 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.145 11.819 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 226 7.086 11.804 -4.704 1.00 0.00 H new ATOM 782 N TYR A 227 7.795 9.628 -5.934 1.00 0.00 N ATOM 783 CA TYR A 227 8.276 8.285 -6.230 1.00 0.00 C ATOM 784 C TYR A 227 8.505 7.476 -4.964 1.00 0.00 C ATOM 785 O TYR A 227 8.876 8.010 -3.919 1.00 0.00 O ATOM 786 CB TYR A 227 9.574 8.347 -7.035 1.00 0.00 C ATOM 787 CG TYR A 227 9.427 9.041 -8.369 1.00 0.00 C ATOM 788 CD1 TYR A 227 8.632 8.500 -9.369 1.00 0.00 C ATOM 789 CD2 TYR A 227 10.079 10.237 -8.625 1.00 0.00 C ATOM 790 CE1 TYR A 227 8.481 9.139 -10.583 1.00 0.00 C ATOM 791 CE2 TYR A 227 9.936 10.883 -9.839 1.00 0.00 C ATOM 792 CZ TYR A 227 9.140 10.327 -10.815 1.00 0.00 C ATOM 793 OH TYR A 227 8.988 10.972 -12.020 1.00 0.00 O ATOM 0 H TYR A 227 8.471 10.364 -6.139 1.00 0.00 H new ATOM 0 HA TYR A 227 7.504 7.789 -6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.332 8.865 -6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 227 9.937 7.333 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.123 7.564 -9.195 1.00 0.00 H new ATOM 0 HD2 TYR A 227 10.709 10.672 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 227 7.850 8.710 -11.347 1.00 0.00 H new ATOM 0 HE2 TYR A 227 10.445 11.818 -10.020 1.00 0.00 H new ATOM 0 HH TYR A 227 9.519 11.795 -12.020 1.00 0.00 H new ATOM 803 N ILE A 228 8.276 6.183 -5.088 1.00 0.00 N ATOM 804 CA ILE A 228 8.436 5.248 -3.993 1.00 0.00 C ATOM 805 C ILE A 228 9.136 3.992 -4.475 1.00 0.00 C ATOM 806 O ILE A 228 8.656 3.339 -5.403 1.00 0.00 O ATOM 807 CB ILE A 228 7.068 4.827 -3.428 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.342 6.031 -2.817 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.215 3.703 -2.418 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.138 5.657 -1.990 1.00 0.00 C ATOM 0 H ILE A 228 7.971 5.749 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 228 9.023 5.746 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 228 6.462 4.450 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.041 6.588 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.028 6.700 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.232 3.426 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.674 2.839 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.845 4.035 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.676 6.560 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.418 5.127 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.448 5.013 -1.167 1.00 0.00 H new ATOM 822 N PRO A 229 10.262 3.616 -3.858 1.00 0.00 N ATOM 823 CA PRO A 229 10.977 2.405 -4.239 1.00 0.00 C ATOM 824 C PRO A 229 10.110 1.181 -4.007 1.00 0.00 C ATOM 825 O PRO A 229 9.985 0.715 -2.878 1.00 0.00 O ATOM 826 CB PRO A 229 12.191 2.365 -3.311 1.00 0.00 C ATOM 827 CG PRO A 229 11.855 3.289 -2.185 1.00 0.00 C ATOM 828 CD PRO A 229 10.914 4.318 -2.745 1.00 0.00 C ATOM 0 HA PRO A 229 11.253 2.407 -5.293 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.376 1.354 -2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.094 2.688 -3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 229 11.391 2.745 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.754 3.760 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.190 4.648 -2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.447 5.205 -3.087 1.00 0.00 H new ATOM 836 N SER A 230 9.490 0.690 -5.067 1.00 0.00 N ATOM 837 CA SER A 230 8.609 -0.474 -4.985 1.00 0.00 C ATOM 838 C SER A 230 9.268 -1.664 -4.288 1.00 0.00 C ATOM 839 O SER A 230 8.570 -2.571 -3.835 1.00 0.00 O ATOM 840 CB SER A 230 8.144 -0.884 -6.385 1.00 0.00 C ATOM 841 OG SER A 230 7.293 -2.018 -6.335 1.00 0.00 O ATOM 0 H SER A 230 9.579 1.080 -6.005 1.00 0.00 H new ATOM 0 HA SER A 230 7.751 -0.180 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.618 -0.052 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 230 9.011 -1.104 -7.008 1.00 0.00 H new ATOM 0 HG SER A 230 6.608 -1.944 -7.032 1.00 0.00 H new ATOM 847 N ASN A 231 10.595 -1.666 -4.165 1.00 0.00 N ATOM 848 CA ASN A 231 11.269 -2.761 -3.480 1.00 0.00 C ATOM 849 C ASN A 231 11.043 -2.663 -1.969 1.00 0.00 C ATOM 850 O ASN A 231 11.298 -3.606 -1.226 1.00 0.00 O ATOM 851 CB ASN A 231 12.765 -2.824 -3.820 1.00 0.00 C ATOM 852 CG ASN A 231 13.561 -1.670 -3.259 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.323 -0.512 -3.603 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.517 -1.979 -2.392 1.00 0.00 N ATOM 0 H ASN A 231 11.211 -0.937 -4.523 1.00 0.00 H new ATOM 0 HA ASN A 231 10.831 -3.694 -3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.177 -3.758 -3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 231 12.882 -2.843 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 231 15.090 -1.242 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.678 -2.953 -2.136 1.00 0.00 H new ATOM 861 N TYR A 232 10.516 -1.524 -1.532 1.00 0.00 N ATOM 862 CA TYR A 232 10.196 -1.304 -0.126 1.00 0.00 C ATOM 863 C TYR A 232 8.692 -1.491 0.087 1.00 0.00 C ATOM 864 O TYR A 232 8.215 -1.549 1.219 1.00 0.00 O ATOM 865 CB TYR A 232 10.564 0.124 0.316 1.00 0.00 C ATOM 866 CG TYR A 232 12.043 0.424 0.458 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.913 0.306 -0.613 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.562 0.854 1.674 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.254 0.609 -0.483 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.903 1.154 1.810 1.00 0.00 C ATOM 871 CZ TYR A 232 14.741 1.028 0.729 1.00 0.00 C ATOM 872 OH TYR A 232 16.074 1.336 0.853 1.00 0.00 O ATOM 0 H TYR A 232 10.300 -0.732 -2.138 1.00 0.00 H new ATOM 0 HA TYR A 232 10.770 -2.020 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.141 0.825 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.082 0.321 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.536 -0.029 -1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.906 0.955 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.916 0.517 -1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.291 1.486 2.762 1.00 0.00 H new ATOM 0 HH TYR A 232 16.261 1.617 1.773 1.00 0.00 H new ATOM 882 N VAL A 233 7.944 -1.551 -1.017 1.00 0.00 N ATOM 883 CA VAL A 233 6.489 -1.694 -0.956 1.00 0.00 C ATOM 884 C VAL A 233 5.998 -2.926 -1.718 1.00 0.00 C ATOM 885 O VAL A 233 6.770 -3.819 -2.066 1.00 0.00 O ATOM 886 CB VAL A 233 5.772 -0.437 -1.517 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.160 0.801 -0.733 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.070 -0.233 -2.992 1.00 0.00 C ATOM 0 H VAL A 233 8.322 -1.503 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 233 6.242 -1.814 0.099 1.00 0.00 H new ATOM 0 HB VAL A 233 4.700 -0.602 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.645 1.669 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 233 5.877 0.673 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.237 0.952 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.551 0.656 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 233 7.144 -0.107 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.730 -1.102 -3.555 1.00 0.00 H new ATOM 898 N THR A 234 4.698 -2.938 -1.969 1.00 0.00 N ATOM 899 CA THR A 234 4.013 -3.998 -2.692 1.00 0.00 C ATOM 900 C THR A 234 2.573 -3.535 -2.853 1.00 0.00 C ATOM 901 O THR A 234 2.230 -2.460 -2.372 1.00 0.00 O ATOM 902 CB THR A 234 4.080 -5.335 -1.923 1.00 0.00 C ATOM 903 OG1 THR A 234 3.480 -6.387 -2.666 1.00 0.00 O ATOM 904 CG2 THR A 234 3.399 -5.293 -0.573 1.00 0.00 C ATOM 0 H THR A 234 4.073 -2.190 -1.667 1.00 0.00 H new ATOM 0 HA THR A 234 4.483 -4.180 -3.659 1.00 0.00 H new ATOM 0 HB THR A 234 5.145 -5.513 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.538 -7.222 -2.156 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.486 -6.267 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.874 -4.536 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.345 -5.046 -0.704 1.00 0.00 H new ATOM 912 N GLY A 235 1.722 -4.330 -3.481 1.00 0.00 N ATOM 913 CA GLY A 235 0.330 -3.934 -3.606 1.00 0.00 C ATOM 914 C GLY A 235 -0.407 -4.283 -2.340 1.00 0.00 C ATOM 915 O GLY A 235 -0.021 -3.855 -1.258 1.00 0.00 O ATOM 0 H GLY A 235 1.961 -5.228 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.261 -2.863 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -0.128 -4.439 -4.457 1.00 0.00 H new ATOM 919 N LYS A 236 -1.418 -5.116 -2.445 1.00 0.00 N ATOM 920 CA LYS A 236 -2.132 -5.562 -1.258 1.00 0.00 C ATOM 921 C LYS A 236 -1.533 -6.891 -0.808 1.00 0.00 C ATOM 922 O LYS A 236 -2.218 -7.747 -0.244 1.00 0.00 O ATOM 923 CB LYS A 236 -3.634 -5.684 -1.525 1.00 0.00 C ATOM 924 CG LYS A 236 -3.964 -6.385 -2.830 1.00 0.00 C ATOM 925 CD LYS A 236 -5.454 -6.377 -3.107 1.00 0.00 C ATOM 926 CE LYS A 236 -5.771 -7.025 -4.443 1.00 0.00 C ATOM 927 NZ LYS A 236 -7.223 -6.966 -4.754 1.00 0.00 N ATOM 0 H LYS A 236 -1.765 -5.497 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.020 -4.825 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -4.098 -6.228 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -4.075 -4.687 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -3.438 -5.895 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.606 -7.414 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -5.977 -6.907 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.821 -5.351 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -5.210 -6.525 -5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -5.444 -8.065 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -7.400 -7.418 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -7.757 -7.465 -4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -7.530 -5.973 -4.792 1.00 0.00 H new