USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 315 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -3.01 K(o=-3,f=-2.4) USER MOD Single : A 21 THR OG1 : rot 124:sc= -0.703! USER MOD Single : A 28 THR OG1 : rot 110:sc= 1.26 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -75:sc= 0.417 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.394 X(o=0.39,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -5.402 -7.314 2.947 1.00 0.00 N ATOM 2 C THR A 1 -5.236 -5.289 1.528 1.00 0.00 C ATOM 3 O THR A 1 -5.336 -5.510 0.336 1.00 0.00 O ATOM 4 CB THR A 1 -6.194 -5.236 3.844 1.00 0.00 C ATOM 5 OG1 THR A 1 -4.901 -5.068 4.409 1.00 0.00 O ATOM 6 CG2 THR A 1 -7.091 -5.971 4.834 1.00 0.00 C ATOM 16 N THR A 2 -4.402 -4.397 1.982 1.00 0.00 N ATOM 17 CA THR A 2 -3.549 -3.624 1.034 1.00 0.00 C ATOM 18 C THR A 2 -2.295 -4.426 0.678 1.00 0.00 C ATOM 19 O THR A 2 -1.632 -4.974 1.535 1.00 0.00 O ATOM 20 CB THR A 2 -3.173 -2.347 1.787 1.00 0.00 C ATOM 21 OG1 THR A 2 -4.126 -2.105 2.812 1.00 0.00 O ATOM 22 CG2 THR A 2 -3.155 -1.168 0.813 1.00 0.00 C ATOM 0 H THR A 2 -4.273 -4.169 2.968 1.00 0.00 H new ATOM 0 HA THR A 2 -4.064 -3.407 0.098 1.00 0.00 H new ATOM 0 HB THR A 2 -2.185 -2.463 2.232 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.885 -1.288 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.887 -0.257 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.423 -1.356 0.028 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.143 -1.049 0.367 1.00 0.00 H new ATOM 30 N CYS A 3 -1.967 -4.497 -0.582 1.00 0.00 N ATOM 31 CA CYS A 3 -0.756 -5.261 -0.996 1.00 0.00 C ATOM 32 C CYS A 3 0.041 -4.454 -2.022 1.00 0.00 C ATOM 33 O CYS A 3 -0.519 -3.786 -2.870 1.00 0.00 O ATOM 34 CB CYS A 3 -1.294 -6.552 -1.618 1.00 0.00 C ATOM 35 SG CYS A 3 -2.560 -7.263 -0.534 1.00 0.00 S ATOM 0 H CYS A 3 -2.485 -4.059 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.085 -5.466 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.716 -6.346 -2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.482 -7.265 -1.763 1.00 0.00 H new ATOM 40 N CYS A 4 1.344 -4.498 -1.949 1.00 0.00 N ATOM 41 CA CYS A 4 2.168 -3.720 -2.917 1.00 0.00 C ATOM 42 C CYS A 4 3.190 -4.628 -3.604 1.00 0.00 C ATOM 43 O CYS A 4 3.578 -5.648 -3.071 1.00 0.00 O ATOM 44 CB CYS A 4 2.876 -2.667 -2.065 1.00 0.00 C ATOM 45 SG CYS A 4 2.086 -1.058 -2.315 1.00 0.00 S ATOM 0 H CYS A 4 1.872 -5.037 -1.263 1.00 0.00 H new ATOM 0 HA CYS A 4 1.564 -3.275 -3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.832 -2.946 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.930 -2.613 -2.337 1.00 0.00 H new ATOM 50 N PRO A 5 3.588 -4.216 -4.777 1.00 0.00 N ATOM 51 CA PRO A 5 4.576 -4.991 -5.565 1.00 0.00 C ATOM 52 C PRO A 5 5.980 -4.803 -4.993 1.00 0.00 C ATOM 53 O PRO A 5 6.397 -5.499 -4.088 1.00 0.00 O ATOM 54 CB PRO A 5 4.484 -4.373 -6.957 1.00 0.00 C ATOM 55 CG PRO A 5 3.980 -2.981 -6.734 1.00 0.00 C ATOM 56 CD PRO A 5 3.156 -3.000 -5.472 1.00 0.00 C ATOM 0 HA PRO A 5 4.380 -6.063 -5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.456 -4.366 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.807 -4.940 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.811 -2.282 -6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.379 -2.650 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.334 -2.111 -4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.089 -3.026 -5.694 1.00 0.00 H new ATOM 64 N SER A 6 6.714 -3.866 -5.525 1.00 0.00 N ATOM 65 CA SER A 6 8.099 -3.622 -5.029 1.00 0.00 C ATOM 66 C SER A 6 8.103 -3.424 -3.510 1.00 0.00 C ATOM 67 O SER A 6 7.274 -2.726 -2.958 1.00 0.00 O ATOM 68 CB SER A 6 8.552 -2.346 -5.735 1.00 0.00 C ATOM 69 OG SER A 6 9.256 -1.525 -4.812 1.00 0.00 O ATOM 0 H SER A 6 6.414 -3.256 -6.285 1.00 0.00 H new ATOM 0 HA SER A 6 8.760 -4.464 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.192 -2.593 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.690 -1.810 -6.132 1.00 0.00 H new ATOM 0 HG SER A 6 9.550 -0.705 -5.261 1.00 0.00 H new ATOM 75 N ILE A 7 9.037 -4.034 -2.832 1.00 0.00 N ATOM 76 CA ILE A 7 9.107 -3.883 -1.350 1.00 0.00 C ATOM 77 C ILE A 7 9.185 -2.401 -0.976 1.00 0.00 C ATOM 78 O ILE A 7 8.405 -1.908 -0.186 1.00 0.00 O ATOM 79 CB ILE A 7 10.389 -4.610 -0.942 1.00 0.00 C ATOM 80 CG1 ILE A 7 10.152 -6.121 -0.983 1.00 0.00 C ATOM 81 CG2 ILE A 7 10.784 -4.198 0.477 1.00 0.00 C ATOM 82 CD1 ILE A 7 9.070 -6.494 0.032 1.00 0.00 C ATOM 0 H ILE A 7 9.756 -4.631 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 7 8.230 -4.291 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 7 11.190 -4.346 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.847 -6.425 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.077 -6.651 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.698 -4.717 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.953 -3.122 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.983 -4.461 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.900 -7.570 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.393 -6.204 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.144 -5.974 -0.215 1.00 0.00 H new ATOM 94 N VAL A 8 10.121 -1.686 -1.540 1.00 0.00 N ATOM 95 CA VAL A 8 10.246 -0.237 -1.217 1.00 0.00 C ATOM 96 C VAL A 8 8.862 0.421 -1.213 1.00 0.00 C ATOM 97 O VAL A 8 8.483 1.086 -0.270 1.00 0.00 O ATOM 98 CB VAL A 8 11.118 0.344 -2.330 1.00 0.00 C ATOM 99 CG1 VAL A 8 11.121 1.872 -2.236 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.549 -0.178 -2.176 1.00 0.00 C ATOM 0 H VAL A 8 10.803 -2.043 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 8 10.681 -0.067 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 8 10.719 0.042 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.743 2.284 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.102 2.245 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.520 2.176 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.174 0.234 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.945 0.125 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.549 -1.266 -2.243 1.00 0.00 H new ATOM 110 N ALA A 9 8.100 0.236 -2.258 1.00 0.00 N ATOM 111 CA ALA A 9 6.742 0.848 -2.303 1.00 0.00 C ATOM 112 C ALA A 9 6.026 0.618 -0.971 1.00 0.00 C ATOM 113 O ALA A 9 5.535 1.541 -0.352 1.00 0.00 O ATOM 114 CB ALA A 9 6.012 0.124 -3.436 1.00 0.00 C ATOM 0 H ALA A 9 8.359 -0.311 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 9 6.777 1.925 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.001 0.522 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.551 0.276 -4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.963 -0.942 -3.215 1.00 0.00 H new ATOM 120 N ARG A 10 5.971 -0.605 -0.524 1.00 0.00 N ATOM 121 CA ARG A 10 5.294 -0.894 0.773 1.00 0.00 C ATOM 122 C ARG A 10 5.824 0.048 1.858 1.00 0.00 C ATOM 123 O ARG A 10 5.069 0.639 2.608 1.00 0.00 O ATOM 124 CB ARG A 10 5.659 -2.346 1.092 1.00 0.00 C ATOM 125 CG ARG A 10 5.208 -2.694 2.514 1.00 0.00 C ATOM 126 CD ARG A 10 3.797 -3.282 2.472 1.00 0.00 C ATOM 127 NE ARG A 10 3.945 -4.665 3.004 1.00 0.00 N ATOM 128 CZ ARG A 10 3.235 -5.047 4.030 1.00 0.00 C ATOM 129 NH1 ARG A 10 2.959 -4.201 4.985 1.00 0.00 N ATOM 130 NH2 ARG A 10 2.801 -6.276 4.102 1.00 0.00 N ATOM 0 H ARG A 10 6.365 -1.417 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 10 4.215 -0.749 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.183 -3.016 0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.735 -2.489 0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.898 -3.409 2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.223 -1.802 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.106 -2.697 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.402 -3.289 1.456 1.00 0.00 H new ATOM 0 HE ARG A 10 4.601 -5.313 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.298 -3.241 4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.404 -4.500 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.017 -6.938 3.356 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.246 -6.575 4.904 1.00 0.00 H new ATOM 144 N SER A 11 7.119 0.193 1.946 1.00 0.00 N ATOM 145 CA SER A 11 7.698 1.099 2.977 1.00 0.00 C ATOM 146 C SER A 11 7.186 2.527 2.769 1.00 0.00 C ATOM 147 O SER A 11 6.865 3.223 3.710 1.00 0.00 O ATOM 148 CB SER A 11 9.210 1.034 2.763 1.00 0.00 C ATOM 149 OG SER A 11 9.870 1.461 3.948 1.00 0.00 O ATOM 0 H SER A 11 7.800 -0.277 1.349 1.00 0.00 H new ATOM 0 HA SER A 11 7.420 0.804 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.510 0.017 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.498 1.667 1.924 1.00 0.00 H new ATOM 0 HG SER A 11 10.840 1.419 3.815 1.00 0.00 H new ATOM 155 N ASN A 12 7.105 2.965 1.542 1.00 0.00 N ATOM 156 CA ASN A 12 6.613 4.346 1.273 1.00 0.00 C ATOM 157 C ASN A 12 5.091 4.406 1.428 1.00 0.00 C ATOM 158 O ASN A 12 4.496 5.465 1.404 1.00 0.00 O ATOM 159 CB ASN A 12 7.017 4.638 -0.171 1.00 0.00 C ATOM 160 CG ASN A 12 8.447 5.180 -0.200 1.00 0.00 C ATOM 161 OD1 ASN A 12 8.663 6.364 -0.034 1.00 0.00 O ATOM 162 ND2 ASN A 12 9.439 4.358 -0.402 1.00 0.00 N ATOM 0 H ASN A 12 7.358 2.426 0.714 1.00 0.00 H new ATOM 0 HA ASN A 12 7.031 5.075 1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.949 3.730 -0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.333 5.363 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.397 4.709 -0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.257 3.364 -0.541 1.00 0.00 H new ATOM 169 N PHE A 13 4.457 3.277 1.590 1.00 0.00 N ATOM 170 CA PHE A 13 2.974 3.272 1.749 1.00 0.00 C ATOM 171 C PHE A 13 2.594 3.707 3.167 1.00 0.00 C ATOM 172 O PHE A 13 1.945 4.716 3.366 1.00 0.00 O ATOM 173 CB PHE A 13 2.550 1.824 1.501 1.00 0.00 C ATOM 174 CG PHE A 13 1.066 1.689 1.745 1.00 0.00 C ATOM 175 CD1 PHE A 13 0.160 2.392 0.944 1.00 0.00 C ATOM 176 CD2 PHE A 13 0.597 0.863 2.773 1.00 0.00 C ATOM 177 CE1 PHE A 13 -1.216 2.271 1.170 1.00 0.00 C ATOM 178 CE2 PHE A 13 -0.779 0.741 3.001 1.00 0.00 C ATOM 179 CZ PHE A 13 -1.685 1.444 2.198 1.00 0.00 C ATOM 0 H PHE A 13 4.900 2.359 1.619 1.00 0.00 H new ATOM 0 HA PHE A 13 2.484 3.962 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.790 1.533 0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.101 1.154 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.523 3.029 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.297 0.320 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.915 2.815 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.141 0.105 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.747 1.348 2.372 1.00 0.00 H new ATOM 189 N ASN A 14 3.003 2.960 4.158 1.00 0.00 N ATOM 190 CA ASN A 14 2.665 3.351 5.556 1.00 0.00 C ATOM 191 C ASN A 14 3.273 4.718 5.847 1.00 0.00 C ATOM 192 O ASN A 14 2.710 5.531 6.554 1.00 0.00 O ATOM 193 CB ASN A 14 3.285 2.280 6.452 1.00 0.00 C ATOM 194 CG ASN A 14 4.734 2.046 6.037 1.00 0.00 C ATOM 195 OD1 ASN A 14 5.608 2.819 6.374 1.00 0.00 O ATOM 196 ND2 ASN A 14 5.027 1.004 5.316 1.00 0.00 N ATOM 0 H ASN A 14 3.551 2.105 4.061 1.00 0.00 H new ATOM 0 HA ASN A 14 1.590 3.420 5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.240 2.593 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.719 1.352 6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.992 0.835 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.292 0.356 5.034 1.00 0.00 H new ATOM 203 N VAL A 15 4.417 4.982 5.283 1.00 0.00 N ATOM 204 CA VAL A 15 5.070 6.297 5.492 1.00 0.00 C ATOM 205 C VAL A 15 4.146 7.399 4.959 1.00 0.00 C ATOM 206 O VAL A 15 3.903 8.397 5.610 1.00 0.00 O ATOM 207 CB VAL A 15 6.382 6.188 4.689 1.00 0.00 C ATOM 208 CG1 VAL A 15 6.428 7.214 3.551 1.00 0.00 C ATOM 209 CG2 VAL A 15 7.568 6.416 5.627 1.00 0.00 C ATOM 0 H VAL A 15 4.929 4.336 4.682 1.00 0.00 H new ATOM 0 HA VAL A 15 5.268 6.544 6.535 1.00 0.00 H new ATOM 0 HB VAL A 15 6.433 5.192 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.366 7.110 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.592 7.043 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.359 8.220 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.498 6.340 5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.494 7.408 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.559 5.663 6.415 1.00 0.00 H new ATOM 219 N CYS A 16 3.621 7.212 3.777 1.00 0.00 N ATOM 220 CA CYS A 16 2.704 8.231 3.193 1.00 0.00 C ATOM 221 C CYS A 16 1.538 8.492 4.149 1.00 0.00 C ATOM 222 O CYS A 16 0.931 9.545 4.133 1.00 0.00 O ATOM 223 CB CYS A 16 2.199 7.608 1.888 1.00 0.00 C ATOM 224 SG CYS A 16 0.773 8.543 1.277 1.00 0.00 S ATOM 0 H CYS A 16 3.789 6.395 3.190 1.00 0.00 H new ATOM 0 HA CYS A 16 3.199 9.187 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.994 7.609 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.920 6.568 2.055 1.00 0.00 H new ATOM 229 N ARG A 17 1.218 7.537 4.980 1.00 0.00 N ATOM 230 CA ARG A 17 0.089 7.726 5.939 1.00 0.00 C ATOM 231 C ARG A 17 0.575 8.430 7.210 1.00 0.00 C ATOM 232 O ARG A 17 -0.210 8.888 8.016 1.00 0.00 O ATOM 233 CB ARG A 17 -0.393 6.313 6.265 1.00 0.00 C ATOM 234 CG ARG A 17 -0.770 5.590 4.971 1.00 0.00 C ATOM 235 CD ARG A 17 -2.255 5.815 4.675 1.00 0.00 C ATOM 236 NE ARG A 17 -2.948 4.642 5.275 1.00 0.00 N ATOM 237 CZ ARG A 17 -3.871 4.821 6.180 1.00 0.00 C ATOM 238 NH1 ARG A 17 -4.682 5.840 6.094 1.00 0.00 N ATOM 239 NH2 ARG A 17 -3.985 3.979 7.172 1.00 0.00 N ATOM 0 H ARG A 17 1.689 6.634 5.037 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.704 8.345 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.389 5.762 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.253 6.356 6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.163 5.961 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.564 4.524 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.608 6.749 5.113 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.439 5.876 3.602 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.701 3.698 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.595 6.497 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.403 5.979 6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.353 3.182 7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.706 4.119 7.879 1.00 0.00 H new ATOM 253 N LEU A 18 1.864 8.515 7.398 1.00 0.00 N ATOM 254 CA LEU A 18 2.398 9.184 8.620 1.00 0.00 C ATOM 255 C LEU A 18 1.900 10.634 8.729 1.00 0.00 C ATOM 256 O LEU A 18 1.521 11.067 9.797 1.00 0.00 O ATOM 257 CB LEU A 18 3.920 9.147 8.463 1.00 0.00 C ATOM 258 CG LEU A 18 4.573 9.735 9.715 1.00 0.00 C ATOM 259 CD1 LEU A 18 4.933 8.605 10.680 1.00 0.00 C ATOM 260 CD2 LEU A 18 5.844 10.491 9.319 1.00 0.00 C ATOM 0 H LEU A 18 2.571 8.151 6.759 1.00 0.00 H new ATOM 0 HA LEU A 18 2.064 8.682 9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.256 8.121 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.220 9.714 7.582 1.00 0.00 H new ATOM 0 HG LEU A 18 3.878 10.420 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.398 9.023 11.573 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.029 8.065 10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.629 7.920 10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.310 10.911 10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.539 9.805 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.589 11.296 8.630 1.00 0.00 H new ATOM 272 N PRO A 19 1.918 11.347 7.628 1.00 0.00 N ATOM 273 CA PRO A 19 1.462 12.760 7.647 1.00 0.00 C ATOM 274 C PRO A 19 -0.063 12.830 7.779 1.00 0.00 C ATOM 275 O PRO A 19 -0.602 13.761 8.345 1.00 0.00 O ATOM 276 CB PRO A 19 1.922 13.307 6.300 1.00 0.00 C ATOM 277 CG PRO A 19 2.029 12.110 5.411 1.00 0.00 C ATOM 278 CD PRO A 19 2.350 10.928 6.287 1.00 0.00 C ATOM 0 HA PRO A 19 1.863 13.327 8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.209 14.030 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.880 13.819 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.095 11.947 4.873 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.808 12.256 4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.820 10.033 5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.414 10.694 6.266 1.00 0.00 H new ATOM 286 N GLY A 20 -0.761 11.854 7.267 1.00 0.00 N ATOM 287 CA GLY A 20 -2.248 11.871 7.373 1.00 0.00 C ATOM 288 C GLY A 20 -2.874 11.633 5.996 1.00 0.00 C ATOM 289 O GLY A 20 -4.075 11.717 5.830 1.00 0.00 O ATOM 0 H GLY A 20 -0.368 11.048 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.580 11.102 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.581 12.829 7.773 1.00 0.00 H new ATOM 293 N THR A 21 -2.076 11.335 5.007 1.00 0.00 N ATOM 294 CA THR A 21 -2.636 11.090 3.646 1.00 0.00 C ATOM 295 C THR A 21 -3.478 9.811 3.646 1.00 0.00 C ATOM 296 O THR A 21 -3.150 8.852 4.315 1.00 0.00 O ATOM 297 CB THR A 21 -1.415 10.930 2.737 1.00 0.00 C ATOM 298 OG1 THR A 21 -0.284 11.527 3.359 1.00 0.00 O ATOM 299 CG2 THR A 21 -1.680 11.614 1.395 1.00 0.00 C ATOM 0 H THR A 21 -1.062 11.251 5.082 1.00 0.00 H new ATOM 0 HA THR A 21 -3.286 11.899 3.314 1.00 0.00 H new ATOM 0 HB THR A 21 -1.223 9.870 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.435 10.865 3.434 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.809 11.499 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.548 11.157 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.872 12.674 1.559 1.00 0.00 H new ATOM 307 N PRO A 22 -4.546 9.844 2.895 1.00 0.00 N ATOM 308 CA PRO A 22 -5.450 8.671 2.807 1.00 0.00 C ATOM 309 C PRO A 22 -4.797 7.539 2.006 1.00 0.00 C ATOM 310 O PRO A 22 -3.890 7.755 1.228 1.00 0.00 O ATOM 311 CB PRO A 22 -6.677 9.219 2.083 1.00 0.00 C ATOM 312 CG PRO A 22 -6.178 10.393 1.304 1.00 0.00 C ATOM 313 CD PRO A 22 -5.007 10.962 2.064 1.00 0.00 C ATOM 0 HA PRO A 22 -5.690 8.244 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -7.115 8.468 1.426 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.452 9.516 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.876 10.090 0.301 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.963 11.141 1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.223 11.308 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.303 11.816 2.673 1.00 0.00 H new ATOM 321 N GLU A 23 -5.254 6.333 2.200 1.00 0.00 N ATOM 322 CA GLU A 23 -4.667 5.178 1.461 1.00 0.00 C ATOM 323 C GLU A 23 -4.723 5.423 -0.051 1.00 0.00 C ATOM 324 O GLU A 23 -3.754 5.224 -0.758 1.00 0.00 O ATOM 325 CB GLU A 23 -5.545 3.986 1.844 1.00 0.00 C ATOM 326 CG GLU A 23 -4.660 2.781 2.169 1.00 0.00 C ATOM 327 CD GLU A 23 -4.672 2.527 3.678 1.00 0.00 C ATOM 328 OE1 GLU A 23 -5.736 2.620 4.266 1.00 0.00 O ATOM 329 OE2 GLU A 23 -3.616 2.244 4.218 1.00 0.00 O ATOM 0 H GLU A 23 -6.011 6.096 2.841 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.619 5.016 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.163 4.239 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.222 3.742 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.020 1.899 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.641 2.963 1.829 1.00 0.00 H new ATOM 336 N ALA A 24 -5.850 5.849 -0.552 1.00 0.00 N ATOM 337 CA ALA A 24 -5.968 6.101 -2.019 1.00 0.00 C ATOM 338 C ALA A 24 -4.777 6.921 -2.523 1.00 0.00 C ATOM 339 O ALA A 24 -4.195 6.621 -3.546 1.00 0.00 O ATOM 340 CB ALA A 24 -7.269 6.890 -2.181 1.00 0.00 C ATOM 0 H ALA A 24 -6.694 6.034 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.975 5.175 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.429 7.116 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.103 6.297 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.203 7.820 -1.617 1.00 0.00 H new ATOM 346 N LEU A 25 -4.411 7.957 -1.816 1.00 0.00 N ATOM 347 CA LEU A 25 -3.260 8.794 -2.261 1.00 0.00 C ATOM 348 C LEU A 25 -1.956 7.998 -2.170 1.00 0.00 C ATOM 349 O LEU A 25 -1.124 8.049 -3.054 1.00 0.00 O ATOM 350 CB LEU A 25 -3.236 9.979 -1.293 1.00 0.00 C ATOM 351 CG LEU A 25 -3.061 11.279 -2.081 1.00 0.00 C ATOM 352 CD1 LEU A 25 -3.620 12.449 -1.267 1.00 0.00 C ATOM 353 CD2 LEU A 25 -1.573 11.514 -2.352 1.00 0.00 C ATOM 0 H LEU A 25 -4.859 8.259 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.360 9.115 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.162 10.012 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.421 9.862 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.597 11.205 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.495 13.375 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.679 12.283 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.084 12.523 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.447 12.440 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.038 11.588 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.173 10.682 -2.931 1.00 0.00 H new ATOM 365 N CYS A 26 -1.771 7.261 -1.109 1.00 0.00 N ATOM 366 CA CYS A 26 -0.521 6.463 -0.967 1.00 0.00 C ATOM 367 C CYS A 26 -0.524 5.296 -1.958 1.00 0.00 C ATOM 368 O CYS A 26 0.405 5.111 -2.718 1.00 0.00 O ATOM 369 CB CYS A 26 -0.544 5.942 0.470 1.00 0.00 C ATOM 370 SG CYS A 26 -0.802 7.324 1.611 1.00 0.00 S ATOM 0 H CYS A 26 -2.431 7.177 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 26 0.371 7.054 -1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.339 5.206 0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.394 5.437 0.700 1.00 0.00 H new ATOM 375 N ALA A 27 -1.563 4.508 -1.954 1.00 0.00 N ATOM 376 CA ALA A 27 -1.629 3.351 -2.892 1.00 0.00 C ATOM 377 C ALA A 27 -1.389 3.817 -4.331 1.00 0.00 C ATOM 378 O ALA A 27 -1.004 3.045 -5.187 1.00 0.00 O ATOM 379 CB ALA A 27 -3.048 2.800 -2.737 1.00 0.00 C ATOM 0 H ALA A 27 -2.371 4.615 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.871 2.599 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.179 1.942 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.208 2.491 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.769 3.574 -3.000 1.00 0.00 H new ATOM 385 N THR A 28 -1.614 5.074 -4.605 1.00 0.00 N ATOM 386 CA THR A 28 -1.399 5.584 -5.990 1.00 0.00 C ATOM 387 C THR A 28 0.060 6.012 -6.179 1.00 0.00 C ATOM 388 O THR A 28 0.624 5.868 -7.246 1.00 0.00 O ATOM 389 CB THR A 28 -2.331 6.790 -6.118 1.00 0.00 C ATOM 390 OG1 THR A 28 -3.680 6.345 -6.134 1.00 0.00 O ATOM 391 CG2 THR A 28 -2.023 7.541 -7.413 1.00 0.00 C ATOM 0 H THR A 28 -1.937 5.768 -3.931 1.00 0.00 H new ATOM 0 HA THR A 28 -1.607 4.825 -6.744 1.00 0.00 H new ATOM 0 HB THR A 28 -2.179 7.458 -5.270 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.123 6.613 -5.302 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.688 8.400 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.988 7.883 -7.398 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.173 6.876 -8.264 1.00 0.00 H new ATOM 399 N TYR A 29 0.675 6.536 -5.155 1.00 0.00 N ATOM 400 CA TYR A 29 2.097 6.972 -5.286 1.00 0.00 C ATOM 401 C TYR A 29 3.031 5.763 -5.194 1.00 0.00 C ATOM 402 O TYR A 29 4.166 5.809 -5.629 1.00 0.00 O ATOM 403 CB TYR A 29 2.331 7.922 -4.110 1.00 0.00 C ATOM 404 CG TYR A 29 3.487 8.841 -4.429 1.00 0.00 C ATOM 405 CD1 TYR A 29 3.250 10.091 -5.014 1.00 0.00 C ATOM 406 CD2 TYR A 29 4.798 8.441 -4.142 1.00 0.00 C ATOM 407 CE1 TYR A 29 4.322 10.941 -5.311 1.00 0.00 C ATOM 408 CE2 TYR A 29 5.870 9.290 -4.439 1.00 0.00 C ATOM 409 CZ TYR A 29 5.632 10.540 -5.024 1.00 0.00 C ATOM 410 OH TYR A 29 6.690 11.377 -5.316 1.00 0.00 O ATOM 0 H TYR A 29 0.258 6.681 -4.236 1.00 0.00 H new ATOM 0 HA TYR A 29 2.295 7.454 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.431 8.506 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.544 7.353 -3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.239 10.400 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.982 7.477 -3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.138 11.905 -5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.881 8.981 -4.217 1.00 0.00 H new ATOM 0 HH TYR A 29 7.530 10.947 -5.052 1.00 0.00 H new ATOM 420 N THR A 30 2.566 4.680 -4.634 1.00 0.00 N ATOM 421 CA THR A 30 3.431 3.470 -4.516 1.00 0.00 C ATOM 422 C THR A 30 2.926 2.366 -5.449 1.00 0.00 C ATOM 423 O THR A 30 3.669 1.493 -5.853 1.00 0.00 O ATOM 424 CB THR A 30 3.307 3.035 -3.054 1.00 0.00 C ATOM 425 OG1 THR A 30 1.993 2.547 -2.819 1.00 0.00 O ATOM 426 CG2 THR A 30 3.582 4.228 -2.138 1.00 0.00 C ATOM 0 H THR A 30 1.625 4.580 -4.253 1.00 0.00 H new ATOM 0 HA THR A 30 4.465 3.673 -4.795 1.00 0.00 H new ATOM 0 HB THR A 30 4.032 2.248 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.369 3.301 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.493 3.916 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.590 4.602 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.860 5.018 -2.343 1.00 0.00 H new ATOM 434 N GLY A 31 1.667 2.396 -5.790 1.00 0.00 N ATOM 435 CA GLY A 31 1.113 1.347 -6.692 1.00 0.00 C ATOM 436 C GLY A 31 0.588 0.184 -5.850 1.00 0.00 C ATOM 437 O GLY A 31 1.050 -0.933 -5.959 1.00 0.00 O ATOM 0 H GLY A 31 0.998 3.102 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.310 1.762 -7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.884 0.996 -7.377 1.00 0.00 H new ATOM 441 N CYS A 32 -0.376 0.440 -5.006 1.00 0.00 N ATOM 442 CA CYS A 32 -0.930 -0.650 -4.153 1.00 0.00 C ATOM 443 C CYS A 32 -2.407 -0.881 -4.475 1.00 0.00 C ATOM 444 O CYS A 32 -3.002 -0.164 -5.256 1.00 0.00 O ATOM 445 CB CYS A 32 -0.770 -0.146 -2.718 1.00 0.00 C ATOM 446 SG CYS A 32 0.168 -1.356 -1.752 1.00 0.00 S ATOM 0 H CYS A 32 -0.803 1.356 -4.871 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.419 -1.599 -4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.256 0.815 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.749 0.015 -2.267 1.00 0.00 H new ATOM 451 N ILE A 33 -3.003 -1.876 -3.877 1.00 0.00 N ATOM 452 CA ILE A 33 -4.443 -2.155 -4.144 1.00 0.00 C ATOM 453 C ILE A 33 -5.179 -2.446 -2.834 1.00 0.00 C ATOM 454 O ILE A 33 -4.621 -2.998 -1.906 1.00 0.00 O ATOM 455 CB ILE A 33 -4.447 -3.391 -5.043 1.00 0.00 C ATOM 456 CG1 ILE A 33 -3.573 -4.480 -4.418 1.00 0.00 C ATOM 457 CG2 ILE A 33 -3.896 -3.022 -6.420 1.00 0.00 C ATOM 458 CD1 ILE A 33 -4.383 -5.772 -4.289 1.00 0.00 C ATOM 0 H ILE A 33 -2.555 -2.509 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.946 -1.308 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.467 -3.760 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.690 -4.651 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.220 -4.160 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.899 -3.903 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.520 -2.247 -6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.876 -2.652 -6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.761 -6.548 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.252 -5.595 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.714 -6.094 -5.276 1.00 0.00 H new ATOM 470 N ILE A 34 -6.428 -2.080 -2.752 1.00 0.00 N ATOM 471 CA ILE A 34 -7.201 -2.337 -1.503 1.00 0.00 C ATOM 472 C ILE A 34 -8.352 -3.306 -1.785 1.00 0.00 C ATOM 473 O ILE A 34 -9.321 -2.962 -2.434 1.00 0.00 O ATOM 474 CB ILE A 34 -7.738 -0.969 -1.083 1.00 0.00 C ATOM 475 CG1 ILE A 34 -6.564 -0.023 -0.822 1.00 0.00 C ATOM 476 CG2 ILE A 34 -8.570 -1.117 0.194 1.00 0.00 C ATOM 477 CD1 ILE A 34 -7.037 1.427 -0.941 1.00 0.00 C ATOM 0 H ILE A 34 -6.948 -1.614 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.590 -2.791 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.364 -0.563 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.154 -0.202 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.764 -0.215 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.953 -0.142 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.405 -1.793 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.945 -1.522 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.200 2.099 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.426 1.602 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.823 1.615 -0.209 1.00 0.00 H new ATOM 489 N ILE A 35 -8.253 -4.515 -1.305 1.00 0.00 N ATOM 490 CA ILE A 35 -9.344 -5.504 -1.549 1.00 0.00 C ATOM 491 C ILE A 35 -10.403 -5.411 -0.447 1.00 0.00 C ATOM 492 O ILE A 35 -10.088 -5.159 0.699 1.00 0.00 O ATOM 493 CB ILE A 35 -8.653 -6.867 -1.521 1.00 0.00 C ATOM 494 CG1 ILE A 35 -8.027 -7.093 -0.143 1.00 0.00 C ATOM 495 CG2 ILE A 35 -7.556 -6.902 -2.587 1.00 0.00 C ATOM 496 CD1 ILE A 35 -7.811 -8.589 0.084 1.00 0.00 C ATOM 0 H ILE A 35 -7.467 -4.862 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.859 -5.328 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.384 -7.650 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.077 -6.564 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.676 -6.687 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.062 -7.873 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.998 -6.738 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.825 -6.119 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.365 -8.747 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.769 -9.107 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.145 -8.981 -0.684 1.00 0.00 H new ATOM 508 N PRO A 36 -11.631 -5.622 -0.837 1.00 0.00 N ATOM 509 CA PRO A 36 -12.757 -5.564 0.126 1.00 0.00 C ATOM 510 C PRO A 36 -12.772 -6.819 1.004 1.00 0.00 C ATOM 511 O PRO A 36 -13.555 -6.934 1.927 1.00 0.00 O ATOM 512 CB PRO A 36 -13.992 -5.511 -0.769 1.00 0.00 C ATOM 513 CG PRO A 36 -13.569 -6.142 -2.058 1.00 0.00 C ATOM 514 CD PRO A 36 -12.083 -5.926 -2.200 1.00 0.00 C ATOM 0 HA PRO A 36 -12.696 -4.716 0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.826 -6.051 -0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.323 -4.484 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.804 -7.206 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.103 -5.696 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.588 -6.813 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.863 -5.107 -2.884 1.00 0.00 H new ATOM 522 N GLY A 37 -11.913 -7.759 0.723 1.00 0.00 N ATOM 523 CA GLY A 37 -11.877 -9.007 1.540 1.00 0.00 C ATOM 524 C GLY A 37 -11.007 -10.052 0.839 1.00 0.00 C ATOM 525 O GLY A 37 -10.192 -9.730 -0.003 1.00 0.00 O ATOM 0 H GLY A 37 -11.234 -7.718 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.479 -8.793 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.887 -9.393 1.678 1.00 0.00 H new ATOM 529 N ALA A 38 -11.173 -11.302 1.178 1.00 0.00 N ATOM 530 CA ALA A 38 -10.353 -12.367 0.529 1.00 0.00 C ATOM 531 C ALA A 38 -8.882 -12.219 0.929 1.00 0.00 C ATOM 532 O ALA A 38 -8.002 -12.787 0.312 1.00 0.00 O ATOM 533 CB ALA A 38 -10.530 -12.143 -0.973 1.00 0.00 C ATOM 0 H ALA A 38 -11.840 -11.632 1.875 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.662 -13.368 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.956 -12.889 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.585 -12.234 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.176 -11.146 -1.236 1.00 0.00 H new ATOM 539 N THR A 39 -8.614 -11.459 1.957 1.00 0.00 N ATOM 540 CA THR A 39 -7.204 -11.264 2.411 1.00 0.00 C ATOM 541 C THR A 39 -6.260 -11.131 1.210 1.00 0.00 C ATOM 542 O THR A 39 -6.682 -10.890 0.097 1.00 0.00 O ATOM 543 CB THR A 39 -6.869 -12.513 3.234 1.00 0.00 C ATOM 544 OG1 THR A 39 -5.685 -12.278 3.983 1.00 0.00 O ATOM 545 CG2 THR A 39 -6.657 -13.714 2.309 1.00 0.00 C ATOM 0 H THR A 39 -9.315 -10.961 2.506 1.00 0.00 H new ATOM 0 HA THR A 39 -7.088 -10.352 2.996 1.00 0.00 H new ATOM 0 HB THR A 39 -7.697 -12.728 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.469 -13.074 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.420 -14.595 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.566 -13.897 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.834 -13.506 1.625 1.00 0.00 H new ATOM 553 N CYS A 40 -4.981 -11.279 1.431 1.00 0.00 N ATOM 554 CA CYS A 40 -4.009 -11.154 0.307 1.00 0.00 C ATOM 555 C CYS A 40 -3.175 -12.433 0.178 1.00 0.00 C ATOM 556 O CYS A 40 -2.781 -13.018 1.168 1.00 0.00 O ATOM 557 CB CYS A 40 -3.116 -9.972 0.692 1.00 0.00 C ATOM 558 SG CYS A 40 -2.375 -9.257 -0.796 1.00 0.00 S ATOM 0 H CYS A 40 -4.568 -11.481 2.341 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.504 -11.002 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.702 -9.217 1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.335 -10.302 1.376 1.00 0.00 H new ATOM 563 N PRO A 41 -2.931 -12.823 -1.045 1.00 0.00 N ATOM 564 CA PRO A 41 -2.131 -14.044 -1.312 1.00 0.00 C ATOM 565 C PRO A 41 -0.660 -13.803 -0.961 1.00 0.00 C ATOM 566 O PRO A 41 -0.328 -12.895 -0.226 1.00 0.00 O ATOM 567 CB PRO A 41 -2.305 -14.265 -2.812 1.00 0.00 C ATOM 568 CG PRO A 41 -2.635 -12.915 -3.364 1.00 0.00 C ATOM 569 CD PRO A 41 -3.373 -12.171 -2.283 1.00 0.00 C ATOM 0 HA PRO A 41 -2.447 -14.904 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.395 -14.664 -3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.101 -14.981 -3.016 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.728 -12.382 -3.650 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.249 -13.003 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.125 -11.110 -2.287 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.453 -12.246 -2.411 1.00 0.00 H new ATOM 577 N GLY A 42 0.225 -14.611 -1.478 1.00 0.00 N ATOM 578 CA GLY A 42 1.672 -14.427 -1.171 1.00 0.00 C ATOM 579 C GLY A 42 2.419 -14.016 -2.440 1.00 0.00 C ATOM 580 O GLY A 42 3.628 -13.893 -2.447 1.00 0.00 O ATOM 0 H GLY A 42 0.009 -15.390 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.796 -13.665 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.090 -15.352 -0.775 1.00 0.00 H new ATOM 584 N ASP A 43 1.713 -13.801 -3.517 1.00 0.00 N ATOM 585 CA ASP A 43 2.392 -13.399 -4.782 1.00 0.00 C ATOM 586 C ASP A 43 2.347 -11.877 -4.947 1.00 0.00 C ATOM 587 O ASP A 43 3.225 -11.283 -5.540 1.00 0.00 O ATOM 588 CB ASP A 43 1.599 -14.087 -5.894 1.00 0.00 C ATOM 589 CG ASP A 43 0.263 -13.368 -6.093 1.00 0.00 C ATOM 590 OD1 ASP A 43 0.084 -12.772 -7.142 1.00 0.00 O ATOM 591 OD2 ASP A 43 -0.559 -13.427 -5.193 1.00 0.00 O ATOM 0 H ASP A 43 0.698 -13.886 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 43 3.443 -13.686 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.171 -14.077 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.426 -15.132 -5.638 1.00 0.00 H new ATOM 596 N TYR A 44 1.331 -11.243 -4.429 1.00 0.00 N ATOM 597 CA TYR A 44 1.235 -9.760 -4.560 1.00 0.00 C ATOM 598 C TYR A 44 1.228 -9.101 -3.179 1.00 0.00 C ATOM 599 O TYR A 44 1.016 -7.912 -3.049 1.00 0.00 O ATOM 600 CB TYR A 44 -0.092 -9.510 -5.278 1.00 0.00 C ATOM 601 CG TYR A 44 -0.009 -8.220 -6.059 1.00 0.00 C ATOM 602 CD1 TYR A 44 -0.588 -7.052 -5.549 1.00 0.00 C ATOM 603 CD2 TYR A 44 0.648 -8.193 -7.296 1.00 0.00 C ATOM 604 CE1 TYR A 44 -0.512 -5.857 -6.274 1.00 0.00 C ATOM 605 CE2 TYR A 44 0.725 -6.999 -8.021 1.00 0.00 C ATOM 606 CZ TYR A 44 0.145 -5.830 -7.511 1.00 0.00 C ATOM 607 OH TYR A 44 0.222 -4.653 -8.226 1.00 0.00 O ATOM 0 H TYR A 44 0.565 -11.686 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 44 2.081 -9.341 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.316 -10.339 -5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.905 -9.457 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.094 -7.073 -4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.095 -9.094 -7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.960 -4.956 -5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.232 -6.978 -8.974 1.00 0.00 H new ATOM 0 HH TYR A 44 0.712 -4.809 -9.060 1.00 0.00 H new ATOM 617 N ALA A 45 1.462 -9.861 -2.145 1.00 0.00 N ATOM 618 CA ALA A 45 1.469 -9.272 -0.775 1.00 0.00 C ATOM 619 C ALA A 45 2.898 -8.906 -0.366 1.00 0.00 C ATOM 620 O ALA A 45 3.596 -9.687 0.250 1.00 0.00 O ATOM 621 CB ALA A 45 0.917 -10.373 0.130 1.00 0.00 C ATOM 0 H ALA A 45 1.648 -10.863 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 45 0.877 -8.359 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.890 -10.018 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.091 -10.636 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.558 -11.252 0.066 1.00 0.00 H new ATOM 627 N ASN A 46 3.338 -7.725 -0.702 1.00 0.00 N ATOM 628 CA ASN A 46 4.721 -7.310 -0.330 1.00 0.00 C ATOM 629 C ASN A 46 4.717 -5.877 0.207 1.00 0.00 C ATOM 630 O ASN A 46 5.547 -5.578 1.051 1.00 0.00 O ATOM 631 CB ASN A 46 5.521 -7.396 -1.630 1.00 0.00 C ATOM 632 CG ASN A 46 6.465 -8.599 -1.573 1.00 0.00 C ATOM 633 OD1 ASN A 46 7.563 -8.549 -2.090 1.00 0.00 O ATOM 634 ND2 ASN A 46 6.082 -9.686 -0.961 1.00 0.00 N ATOM 635 OXT ASN A 46 3.884 -5.103 -0.235 1.00 0.00 O ATOM 0 H ASN A 46 2.800 -7.029 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 46 5.146 -7.939 0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.845 -7.492 -2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.092 -6.480 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.705 -10.493 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.160 -9.729 -0.527 1.00 0.00 H new TER 642 ASN A 46