USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 1 CYS N :NH3+ -159:sc= 0.00785 (180deg=-0.135) USER MOD Single : A 1 CYS SG : rot 180:sc= -1.38! USER MOD Single : A 2 SER OG : rot 47:sc= 0.0964 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= -0.609 (180deg=-0.609) USER MOD Single : A 4 ASN :FLIP amide:sc= -4.05! C(o=-5.3!,f=-4.1!) USER MOD Single : A 6 LYS NZ :NH3+ -111:sc= -1.11 (180deg=-2.92!) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.064) USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.291) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 26 ASN : amide:sc= -1.36 K(o=-1.4,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.825 X(o=-0.83,f=-1.2) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.249 F(o=-0.85,f=-0.25) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -4.31! C(o=-12!,f=-4.3!) USER MOD Single : A 54 GLN : amide:sc= -0.0654 K(o=-0.065,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 39.531 -14.462 -7.472 1.00 1.00 N ATOM 2 CA CYS A 1 39.712 -14.828 -6.039 1.00 1.00 C ATOM 3 C CYS A 1 40.490 -16.135 -5.949 1.00 1.00 C ATOM 4 O CYS A 1 41.386 -16.280 -5.119 1.00 1.00 O ATOM 5 CB CYS A 1 38.339 -14.986 -5.375 1.00 1.00 C ATOM 6 SG CYS A 1 37.574 -16.538 -5.914 1.00 1.00 S ATOM 0 H1 CYS A 1 39.334 -13.444 -7.548 1.00 1.00 H new ATOM 0 H2 CYS A 1 40.398 -14.688 -8.000 1.00 1.00 H new ATOM 0 H3 CYS A 1 38.734 -14.999 -7.869 1.00 1.00 H new ATOM 0 HA CYS A 1 40.267 -14.044 -5.524 1.00 1.00 H new ATOM 0 HB2 CYS A 1 38.446 -14.980 -4.290 1.00 1.00 H new ATOM 0 HB3 CYS A 1 37.699 -14.144 -5.637 1.00 1.00 H new ATOM 0 HG CYS A 1 36.412 -16.669 -5.347 1.00 1.00 H new ATOM 14 N SER A 2 40.139 -17.086 -6.810 1.00 1.00 N ATOM 15 CA SER A 2 40.810 -18.381 -6.821 1.00 1.00 C ATOM 16 C SER A 2 41.029 -18.881 -5.397 1.00 1.00 C ATOM 17 O SER A 2 42.087 -18.650 -4.818 1.00 1.00 O ATOM 18 CB SER A 2 42.159 -18.263 -7.537 1.00 1.00 C ATOM 19 OG SER A 2 42.792 -17.049 -7.151 1.00 1.00 O ATOM 0 H SER A 2 39.399 -16.985 -7.505 1.00 1.00 H new ATOM 0 HA SER A 2 40.179 -19.094 -7.351 1.00 1.00 H new ATOM 0 HB2 SER A 2 42.793 -19.113 -7.285 1.00 1.00 H new ATOM 0 HB3 SER A 2 42.013 -18.283 -8.617 1.00 1.00 H new ATOM 0 HG SER A 2 42.741 -16.949 -6.177 1.00 1.00 H new ATOM 25 N LYS A 3 40.022 -19.568 -4.844 1.00 1.00 N ATOM 26 CA LYS A 3 40.106 -20.105 -3.476 1.00 1.00 C ATOM 27 C LYS A 3 40.948 -19.200 -2.575 1.00 1.00 C ATOM 28 O LYS A 3 41.768 -19.677 -1.792 1.00 1.00 O ATOM 29 CB LYS A 3 40.704 -21.518 -3.489 1.00 1.00 C ATOM 30 CG LYS A 3 41.923 -21.564 -4.420 1.00 1.00 C ATOM 31 CD LYS A 3 42.600 -22.941 -4.353 1.00 1.00 C ATOM 32 CE LYS A 3 43.470 -23.055 -3.094 1.00 1.00 C ATOM 33 NZ LYS A 3 44.310 -24.281 -3.191 1.00 1.00 N ATOM 0 H LYS A 3 39.141 -19.766 -5.319 1.00 1.00 H new ATOM 0 HA LYS A 3 39.093 -20.146 -3.076 1.00 1.00 H new ATOM 0 HB2 LYS A 3 40.996 -21.807 -2.480 1.00 1.00 H new ATOM 0 HB3 LYS A 3 39.954 -22.236 -3.822 1.00 1.00 H new ATOM 0 HG2 LYS A 3 41.614 -21.354 -5.444 1.00 1.00 H new ATOM 0 HG3 LYS A 3 42.634 -20.788 -4.136 1.00 1.00 H new ATOM 0 HD2 LYS A 3 41.843 -23.725 -4.350 1.00 1.00 H new ATOM 0 HD3 LYS A 3 43.214 -23.094 -5.241 1.00 1.00 H new ATOM 0 HE2 LYS A 3 44.102 -22.173 -2.993 1.00 1.00 H new ATOM 0 HE3 LYS A 3 42.841 -23.100 -2.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 44.902 -24.364 -2.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 43.696 -25.117 -3.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 44.919 -24.219 -4.032 1.00 1.00 H new ATOM 47 N ASN A 4 40.741 -17.894 -2.709 1.00 1.00 N ATOM 48 CA ASN A 4 41.486 -16.913 -1.908 1.00 1.00 C ATOM 49 C ASN A 4 42.967 -17.278 -1.862 1.00 1.00 C ATOM 50 O ASN A 4 43.607 -17.177 -0.815 1.00 1.00 O ATOM 51 CB ASN A 4 40.932 -16.857 -0.479 1.00 1.00 C ATOM 52 CG ASN A 4 41.123 -18.204 0.211 1.00 1.00 C ATOM 53 OD1 ASN A 4 40.124 -19.040 0.280 1.00 1.00 O flip ATOM 54 ND2 ASN A 4 42.217 -18.508 0.685 1.00 1.00 N flip ATOM 0 H ASN A 4 40.069 -17.486 -3.359 1.00 1.00 H new ATOM 0 HA ASN A 4 41.371 -15.935 -2.376 1.00 1.00 H new ATOM 0 HB2 ASN A 4 41.440 -16.075 0.086 1.00 1.00 H new ATOM 0 HB3 ASN A 4 39.873 -16.598 -0.501 1.00 1.00 H new ATOM 0 HD21 ASN A 4 42.997 -17.853 0.630 1.00 1.00 H new ATOM 0 HD22 ASN A 4 42.344 -19.415 1.133 1.00 1.00 H new ATOM 61 N ARG A 5 43.501 -17.712 -2.999 1.00 1.00 N ATOM 62 CA ARG A 5 44.905 -18.101 -3.075 1.00 1.00 C ATOM 63 C ARG A 5 45.802 -16.898 -2.813 1.00 1.00 C ATOM 64 O ARG A 5 46.763 -16.982 -2.049 1.00 1.00 O ATOM 65 CB ARG A 5 45.210 -18.676 -4.465 1.00 1.00 C ATOM 66 CG ARG A 5 46.618 -19.305 -4.491 1.00 1.00 C ATOM 67 CD ARG A 5 46.553 -20.753 -3.990 1.00 1.00 C ATOM 68 NE ARG A 5 47.870 -21.374 -4.056 1.00 1.00 N ATOM 69 CZ ARG A 5 48.068 -22.607 -3.603 1.00 1.00 C ATOM 70 NH1 ARG A 5 47.073 -23.279 -3.093 1.00 1.00 N ATOM 71 NH2 ARG A 5 49.256 -23.146 -3.667 1.00 1.00 N ATOM 0 H ARG A 5 42.987 -17.803 -3.875 1.00 1.00 H new ATOM 0 HA ARG A 5 45.099 -18.859 -2.317 1.00 1.00 H new ATOM 0 HB2 ARG A 5 44.465 -19.427 -4.726 1.00 1.00 H new ATOM 0 HB3 ARG A 5 45.144 -17.887 -5.214 1.00 1.00 H new ATOM 0 HG2 ARG A 5 47.018 -19.279 -5.504 1.00 1.00 H new ATOM 0 HG3 ARG A 5 47.296 -18.725 -3.866 1.00 1.00 H new ATOM 0 HD2 ARG A 5 46.186 -20.773 -2.964 1.00 1.00 H new ATOM 0 HD3 ARG A 5 45.845 -21.322 -4.593 1.00 1.00 H new ATOM 0 HE ARG A 5 48.651 -20.854 -4.456 1.00 1.00 H new ATOM 0 HH11 ARG A 5 46.145 -22.858 -3.043 1.00 1.00 H new ATOM 0 HH12 ARG A 5 47.223 -24.226 -2.745 1.00 1.00 H new ATOM 0 HH21 ARG A 5 50.034 -22.620 -4.065 1.00 1.00 H new ATOM 0 HH22 ARG A 5 49.406 -24.093 -3.319 1.00 1.00 H new ATOM 85 N LYS A 6 45.481 -15.779 -3.457 1.00 1.00 N ATOM 86 CA LYS A 6 46.268 -14.566 -3.293 1.00 1.00 C ATOM 87 C LYS A 6 46.536 -14.319 -1.820 1.00 1.00 C ATOM 88 O LYS A 6 45.621 -14.054 -1.040 1.00 1.00 O ATOM 89 CB LYS A 6 45.543 -13.358 -3.894 1.00 1.00 C ATOM 90 CG LYS A 6 45.235 -13.625 -5.370 1.00 1.00 C ATOM 91 CD LYS A 6 44.804 -12.318 -6.043 1.00 1.00 C ATOM 92 CE LYS A 6 43.584 -11.727 -5.317 1.00 1.00 C ATOM 93 NZ LYS A 6 44.054 -10.851 -4.207 1.00 1.00 N ATOM 0 H LYS A 6 44.688 -15.689 -4.092 1.00 1.00 H new ATOM 0 HA LYS A 6 47.214 -14.699 -3.819 1.00 1.00 H new ATOM 0 HB2 LYS A 6 44.619 -13.167 -3.348 1.00 1.00 H new ATOM 0 HB3 LYS A 6 46.161 -12.465 -3.797 1.00 1.00 H new ATOM 0 HG2 LYS A 6 46.115 -14.031 -5.869 1.00 1.00 H new ATOM 0 HG3 LYS A 6 44.445 -14.371 -5.459 1.00 1.00 H new ATOM 0 HD2 LYS A 6 45.627 -11.604 -6.028 1.00 1.00 H new ATOM 0 HD3 LYS A 6 44.560 -12.502 -7.089 1.00 1.00 H new ATOM 0 HE2 LYS A 6 42.972 -11.155 -6.014 1.00 1.00 H new ATOM 0 HE3 LYS A 6 42.956 -12.527 -4.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 43.822 -11.292 -3.294 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 45.084 -10.723 -4.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 43.585 -9.925 -4.273 1.00 1.00 H new ATOM 107 N ALA A 7 47.800 -14.414 -1.455 1.00 1.00 N ATOM 108 CA ALA A 7 48.215 -14.207 -0.066 1.00 1.00 C ATOM 109 C ALA A 7 49.571 -13.513 -0.007 1.00 1.00 C ATOM 110 O ALA A 7 49.644 -12.287 0.061 1.00 1.00 O ATOM 111 CB ALA A 7 48.289 -15.548 0.673 1.00 1.00 C ATOM 0 H ALA A 7 48.563 -14.633 -2.095 1.00 1.00 H new ATOM 0 HA ALA A 7 47.474 -13.572 0.419 1.00 1.00 H new ATOM 0 HB1 ALA A 7 48.599 -15.379 1.704 1.00 1.00 H new ATOM 0 HB2 ALA A 7 47.308 -16.024 0.662 1.00 1.00 H new ATOM 0 HB3 ALA A 7 49.013 -16.196 0.179 1.00 1.00 H new ATOM 117 N LYS A 8 50.643 -14.297 -0.029 1.00 1.00 N ATOM 118 CA LYS A 8 51.980 -13.725 0.027 1.00 1.00 C ATOM 119 C LYS A 8 53.031 -14.802 -0.184 1.00 1.00 C ATOM 120 O LYS A 8 53.494 -15.433 0.765 1.00 1.00 O ATOM 121 CB LYS A 8 52.200 -13.044 1.382 1.00 1.00 C ATOM 122 CG LYS A 8 51.956 -14.050 2.537 1.00 1.00 C ATOM 123 CD LYS A 8 51.328 -13.348 3.749 1.00 1.00 C ATOM 124 CE LYS A 8 52.338 -12.384 4.377 1.00 1.00 C ATOM 125 NZ LYS A 8 53.328 -13.155 5.179 1.00 1.00 N ATOM 0 H LYS A 8 50.613 -15.315 -0.084 1.00 1.00 H new ATOM 0 HA LYS A 8 52.074 -12.985 -0.768 1.00 1.00 H new ATOM 0 HB2 LYS A 8 53.216 -12.654 1.440 1.00 1.00 H new ATOM 0 HB3 LYS A 8 51.526 -12.194 1.483 1.00 1.00 H new ATOM 0 HG2 LYS A 8 51.300 -14.851 2.195 1.00 1.00 H new ATOM 0 HG3 LYS A 8 52.899 -14.512 2.828 1.00 1.00 H new ATOM 0 HD2 LYS A 8 50.435 -12.803 3.442 1.00 1.00 H new ATOM 0 HD3 LYS A 8 51.013 -14.088 4.485 1.00 1.00 H new ATOM 0 HE2 LYS A 8 52.848 -11.816 3.598 1.00 1.00 H new ATOM 0 HE3 LYS A 8 51.823 -11.663 5.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 53.919 -12.497 5.727 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 52.826 -13.793 5.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 53.931 -13.714 4.542 1.00 1.00 H new ATOM 139 N ALA A 9 53.406 -15.001 -1.434 1.00 1.00 N ATOM 140 CA ALA A 9 54.408 -16.003 -1.763 1.00 1.00 C ATOM 141 C ALA A 9 54.818 -15.888 -3.228 1.00 1.00 C ATOM 142 O ALA A 9 56.004 -15.964 -3.544 1.00 1.00 O ATOM 143 CB ALA A 9 53.869 -17.415 -1.465 1.00 1.00 C ATOM 0 H ALA A 9 53.036 -14.488 -2.234 1.00 1.00 H new ATOM 0 HA ALA A 9 55.289 -15.829 -1.145 1.00 1.00 H new ATOM 0 HB1 ALA A 9 54.629 -18.155 -1.716 1.00 1.00 H new ATOM 0 HB2 ALA A 9 53.621 -17.494 -0.407 1.00 1.00 H new ATOM 0 HB3 ALA A 9 52.975 -17.597 -2.062 1.00 1.00 H new ATOM 149 N LYS A 10 53.828 -15.704 -4.113 1.00 1.00 N ATOM 150 CA LYS A 10 54.084 -15.587 -5.557 1.00 1.00 C ATOM 151 C LYS A 10 55.326 -16.386 -5.965 1.00 1.00 C ATOM 152 O LYS A 10 56.335 -15.815 -6.374 1.00 1.00 O ATOM 153 CB LYS A 10 54.262 -14.108 -5.948 1.00 1.00 C ATOM 154 CG LYS A 10 52.963 -13.313 -5.663 1.00 1.00 C ATOM 155 CD LYS A 10 53.007 -12.700 -4.254 1.00 1.00 C ATOM 156 CE LYS A 10 51.585 -12.387 -3.778 1.00 1.00 C ATOM 157 NZ LYS A 10 50.892 -11.546 -4.797 1.00 1.00 N ATOM 0 H LYS A 10 52.844 -15.633 -3.855 1.00 1.00 H new ATOM 0 HA LYS A 10 53.223 -15.998 -6.085 1.00 1.00 H new ATOM 0 HB2 LYS A 10 55.091 -13.675 -5.388 1.00 1.00 H new ATOM 0 HB3 LYS A 10 54.517 -14.033 -7.005 1.00 1.00 H new ATOM 0 HG2 LYS A 10 52.842 -12.525 -6.406 1.00 1.00 H new ATOM 0 HG3 LYS A 10 52.099 -13.972 -5.753 1.00 1.00 H new ATOM 0 HD2 LYS A 10 53.488 -13.391 -3.562 1.00 1.00 H new ATOM 0 HD3 LYS A 10 53.606 -11.789 -4.262 1.00 1.00 H new ATOM 0 HE2 LYS A 10 51.032 -13.312 -3.618 1.00 1.00 H new ATOM 0 HE3 LYS A 10 51.617 -11.865 -2.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 50.067 -11.084 -4.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 51.547 -10.821 -5.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 50.578 -12.146 -5.586 1.00 1.00 H new ATOM 171 N PRO A 11 55.266 -17.691 -5.844 1.00 1.00 N ATOM 172 CA PRO A 11 56.409 -18.592 -6.190 1.00 1.00 C ATOM 173 C PRO A 11 56.945 -18.350 -7.585 1.00 1.00 C ATOM 174 O PRO A 11 57.969 -18.916 -7.963 1.00 1.00 O ATOM 175 CB PRO A 11 55.823 -20.007 -6.030 1.00 1.00 C ATOM 176 CG PRO A 11 54.685 -19.840 -5.076 1.00 1.00 C ATOM 177 CD PRO A 11 54.102 -18.458 -5.365 1.00 1.00 C ATOM 0 HA PRO A 11 57.274 -18.421 -5.549 1.00 1.00 H new ATOM 0 HB2 PRO A 11 55.483 -20.405 -6.986 1.00 1.00 H new ATOM 0 HB3 PRO A 11 56.567 -20.702 -5.641 1.00 1.00 H new ATOM 0 HG2 PRO A 11 53.936 -20.619 -5.220 1.00 1.00 H new ATOM 0 HG3 PRO A 11 55.026 -19.913 -4.043 1.00 1.00 H new ATOM 0 HD2 PRO A 11 53.314 -18.503 -6.116 1.00 1.00 H new ATOM 0 HD3 PRO A 11 53.666 -18.011 -4.472 1.00 1.00 H new ATOM 185 N VAL A 12 56.245 -17.504 -8.328 1.00 1.00 N ATOM 186 CA VAL A 12 56.630 -17.176 -9.703 1.00 1.00 C ATOM 187 C VAL A 12 56.469 -18.400 -10.578 1.00 1.00 C ATOM 188 O VAL A 12 55.878 -18.346 -11.656 1.00 1.00 O ATOM 189 CB VAL A 12 58.075 -16.675 -9.760 1.00 1.00 C ATOM 190 CG1 VAL A 12 58.355 -16.106 -11.149 1.00 1.00 C ATOM 191 CG2 VAL A 12 58.271 -15.583 -8.712 1.00 1.00 C ATOM 0 H VAL A 12 55.403 -17.028 -8.004 1.00 1.00 H new ATOM 0 HA VAL A 12 55.981 -16.380 -10.068 1.00 1.00 H new ATOM 0 HB VAL A 12 58.760 -17.499 -9.559 1.00 1.00 H new ATOM 0 HG11 VAL A 12 59.383 -15.748 -11.195 1.00 1.00 H new ATOM 0 HG12 VAL A 12 58.208 -16.885 -11.898 1.00 1.00 H new ATOM 0 HG13 VAL A 12 57.673 -15.279 -11.348 1.00 1.00 H new ATOM 0 HG21 VAL A 12 59.299 -15.223 -8.749 1.00 1.00 H new ATOM 0 HG22 VAL A 12 57.590 -14.757 -8.916 1.00 1.00 H new ATOM 0 HG23 VAL A 12 58.064 -15.988 -7.721 1.00 1.00 H new ATOM 201 N THR A 13 56.986 -19.500 -10.085 1.00 1.00 N ATOM 202 CA THR A 13 56.891 -20.770 -10.786 1.00 1.00 C ATOM 203 C THR A 13 55.501 -21.356 -10.608 1.00 1.00 C ATOM 204 O THR A 13 55.083 -22.234 -11.362 1.00 1.00 O ATOM 205 CB THR A 13 57.954 -21.741 -10.254 1.00 1.00 C ATOM 206 OG1 THR A 13 58.247 -22.702 -11.256 1.00 1.00 O ATOM 207 CG2 THR A 13 57.471 -22.457 -8.985 1.00 1.00 C ATOM 0 H THR A 13 57.482 -19.547 -9.195 1.00 1.00 H new ATOM 0 HA THR A 13 57.068 -20.607 -11.849 1.00 1.00 H new ATOM 0 HB THR A 13 58.848 -21.170 -10.002 1.00 1.00 H new ATOM 0 HG1 THR A 13 58.927 -23.325 -10.923 1.00 1.00 H new ATOM 0 HG21 THR A 13 58.247 -23.137 -8.634 1.00 1.00 H new ATOM 0 HG22 THR A 13 57.257 -21.720 -8.211 1.00 1.00 H new ATOM 0 HG23 THR A 13 56.566 -23.022 -9.208 1.00 1.00 H new ATOM 215 N ARG A 14 54.796 -20.872 -9.590 1.00 1.00 N ATOM 216 CA ARG A 14 53.439 -21.381 -9.316 1.00 1.00 C ATOM 217 C ARG A 14 52.664 -21.579 -10.618 1.00 1.00 C ATOM 218 O ARG A 14 51.959 -22.577 -10.776 1.00 1.00 O ATOM 219 CB ARG A 14 52.656 -20.434 -8.360 1.00 1.00 C ATOM 220 CG ARG A 14 51.140 -20.795 -8.308 1.00 1.00 C ATOM 221 CD ARG A 14 50.304 -19.530 -8.125 1.00 1.00 C ATOM 222 NE ARG A 14 50.584 -18.581 -9.193 1.00 1.00 N ATOM 223 CZ ARG A 14 50.107 -17.345 -9.146 1.00 1.00 C ATOM 224 NH1 ARG A 14 49.381 -16.968 -8.128 1.00 1.00 N ATOM 225 NH2 ARG A 14 50.364 -16.511 -10.115 1.00 1.00 N ATOM 0 H ARG A 14 55.123 -20.147 -8.951 1.00 1.00 H new ATOM 0 HA ARG A 14 53.545 -22.346 -8.820 1.00 1.00 H new ATOM 0 HB2 ARG A 14 53.080 -20.496 -7.358 1.00 1.00 H new ATOM 0 HB3 ARG A 14 52.774 -19.403 -8.692 1.00 1.00 H new ATOM 0 HG2 ARG A 14 50.848 -21.303 -9.227 1.00 1.00 H new ATOM 0 HG3 ARG A 14 50.951 -21.487 -7.487 1.00 1.00 H new ATOM 0 HD2 ARG A 14 49.244 -19.784 -8.123 1.00 1.00 H new ATOM 0 HD3 ARG A 14 50.525 -19.076 -7.159 1.00 1.00 H new ATOM 0 HE ARG A 14 51.154 -18.871 -9.987 1.00 1.00 H new ATOM 0 HH11 ARG A 14 49.183 -17.624 -7.372 1.00 1.00 H new ATOM 0 HH12 ARG A 14 49.012 -16.018 -8.089 1.00 1.00 H new ATOM 0 HH21 ARG A 14 50.932 -16.810 -10.908 1.00 1.00 H new ATOM 0 HH22 ARG A 14 49.997 -15.560 -10.080 1.00 1.00 H new ATOM 239 N GLY A 15 52.762 -20.631 -11.541 1.00 1.00 N ATOM 240 CA GLY A 15 52.015 -20.750 -12.788 1.00 1.00 C ATOM 241 C GLY A 15 50.571 -20.299 -12.564 1.00 1.00 C ATOM 242 O GLY A 15 49.935 -20.674 -11.578 1.00 1.00 O ATOM 0 H GLY A 15 53.335 -19.792 -11.456 1.00 1.00 H new ATOM 0 HA2 GLY A 15 52.481 -20.141 -13.563 1.00 1.00 H new ATOM 0 HA3 GLY A 15 52.034 -21.782 -13.139 1.00 1.00 H new ATOM 246 N THR A 16 50.071 -19.489 -13.480 1.00 1.00 N ATOM 247 CA THR A 16 48.713 -18.973 -13.397 1.00 1.00 C ATOM 248 C THR A 16 47.694 -20.109 -13.517 1.00 1.00 C ATOM 249 O THR A 16 47.741 -21.079 -12.760 1.00 1.00 O ATOM 250 CB THR A 16 48.494 -17.945 -14.523 1.00 1.00 C ATOM 251 OG1 THR A 16 49.638 -17.110 -14.625 1.00 1.00 O ATOM 252 CG2 THR A 16 47.264 -17.076 -14.222 1.00 1.00 C ATOM 0 H THR A 16 50.590 -19.171 -14.298 1.00 1.00 H new ATOM 0 HA THR A 16 48.573 -18.493 -12.428 1.00 1.00 H new ATOM 0 HB THR A 16 48.333 -18.478 -15.460 1.00 1.00 H new ATOM 0 HG1 THR A 16 49.503 -16.456 -15.342 1.00 1.00 H new ATOM 0 HG21 THR A 16 47.122 -16.355 -15.027 1.00 1.00 H new ATOM 0 HG22 THR A 16 46.381 -17.710 -14.144 1.00 1.00 H new ATOM 0 HG23 THR A 16 47.414 -16.546 -13.282 1.00 1.00 H new ATOM 260 N GLY A 17 46.777 -19.977 -14.476 1.00 1.00 N ATOM 261 CA GLY A 17 45.733 -20.984 -14.709 1.00 1.00 C ATOM 262 C GLY A 17 44.352 -20.325 -14.773 1.00 1.00 C ATOM 263 O GLY A 17 43.830 -19.870 -13.756 1.00 1.00 O ATOM 0 H GLY A 17 46.734 -19.179 -15.109 1.00 1.00 H new ATOM 0 HA2 GLY A 17 45.933 -21.514 -15.641 1.00 1.00 H new ATOM 0 HA3 GLY A 17 45.751 -21.726 -13.911 1.00 1.00 H new ATOM 267 N ALA A 18 43.764 -20.275 -15.975 1.00 1.00 N ATOM 268 CA ALA A 18 42.444 -19.666 -16.157 1.00 1.00 C ATOM 269 C ALA A 18 41.350 -20.728 -15.954 1.00 1.00 C ATOM 270 O ALA A 18 41.633 -21.921 -16.058 1.00 1.00 O ATOM 271 CB ALA A 18 42.369 -19.062 -17.569 1.00 1.00 C ATOM 0 H ALA A 18 44.179 -20.647 -16.829 1.00 1.00 H new ATOM 0 HA ALA A 18 42.288 -18.875 -15.423 1.00 1.00 H new ATOM 0 HB1 ALA A 18 41.391 -18.605 -17.718 1.00 1.00 H new ATOM 0 HB2 ALA A 18 43.144 -18.304 -17.682 1.00 1.00 H new ATOM 0 HB3 ALA A 18 42.519 -19.848 -18.309 1.00 1.00 H new ATOM 277 N GLY A 19 40.104 -20.311 -15.655 1.00 1.00 N ATOM 278 CA GLY A 19 39.011 -21.274 -15.434 1.00 1.00 C ATOM 279 C GLY A 19 38.455 -21.162 -14.012 1.00 1.00 C ATOM 280 O GLY A 19 37.334 -21.595 -13.747 1.00 1.00 O ATOM 0 H GLY A 19 39.834 -19.332 -15.563 1.00 1.00 H new ATOM 0 HA2 GLY A 19 38.213 -21.095 -16.155 1.00 1.00 H new ATOM 0 HA3 GLY A 19 39.375 -22.287 -15.607 1.00 1.00 H new ATOM 284 N SER A 20 39.240 -20.581 -13.101 1.00 1.00 N ATOM 285 CA SER A 20 38.801 -20.417 -11.717 1.00 1.00 C ATOM 286 C SER A 20 37.650 -19.419 -11.637 1.00 1.00 C ATOM 287 O SER A 20 36.876 -19.418 -10.680 1.00 1.00 O ATOM 288 CB SER A 20 39.965 -19.922 -10.856 1.00 1.00 C ATOM 289 OG SER A 20 41.093 -20.764 -11.058 1.00 1.00 O ATOM 0 H SER A 20 40.174 -20.220 -13.296 1.00 1.00 H new ATOM 0 HA SER A 20 38.459 -21.383 -11.346 1.00 1.00 H new ATOM 0 HB2 SER A 20 40.214 -18.893 -11.118 1.00 1.00 H new ATOM 0 HB3 SER A 20 39.680 -19.923 -9.804 1.00 1.00 H new ATOM 0 HG SER A 20 41.840 -20.447 -10.509 1.00 1.00 H new ATOM 295 N ARG A 21 37.550 -18.585 -12.663 1.00 1.00 N ATOM 296 CA ARG A 21 36.495 -17.565 -12.745 1.00 1.00 C ATOM 297 C ARG A 21 36.379 -16.803 -11.413 1.00 1.00 C ATOM 298 O ARG A 21 37.111 -17.094 -10.466 1.00 1.00 O ATOM 299 CB ARG A 21 35.146 -18.225 -13.126 1.00 1.00 C ATOM 300 CG ARG A 21 35.374 -19.636 -13.683 1.00 1.00 C ATOM 301 CD ARG A 21 34.116 -20.107 -14.415 1.00 1.00 C ATOM 302 NE ARG A 21 34.243 -21.512 -14.786 1.00 1.00 N ATOM 303 CZ ARG A 21 34.220 -22.471 -13.866 1.00 1.00 C ATOM 304 NH1 ARG A 21 34.065 -22.164 -12.607 1.00 1.00 N ATOM 305 NH2 ARG A 21 34.348 -23.719 -14.224 1.00 1.00 N ATOM 0 H ARG A 21 38.188 -18.590 -13.459 1.00 1.00 H new ATOM 0 HA ARG A 21 36.757 -16.847 -13.522 1.00 1.00 H new ATOM 0 HB2 ARG A 21 34.499 -18.274 -12.250 1.00 1.00 H new ATOM 0 HB3 ARG A 21 34.633 -17.614 -13.868 1.00 1.00 H new ATOM 0 HG2 ARG A 21 36.225 -19.636 -14.364 1.00 1.00 H new ATOM 0 HG3 ARG A 21 35.614 -20.324 -12.872 1.00 1.00 H new ATOM 0 HD2 ARG A 21 33.243 -19.970 -13.777 1.00 1.00 H new ATOM 0 HD3 ARG A 21 33.958 -19.501 -15.307 1.00 1.00 H new ATOM 0 HE ARG A 21 34.351 -21.763 -15.769 1.00 1.00 H new ATOM 0 HH11 ARG A 21 33.961 -21.188 -12.329 1.00 1.00 H new ATOM 0 HH12 ARG A 21 34.047 -22.900 -11.901 1.00 1.00 H new ATOM 0 HH21 ARG A 21 34.466 -23.958 -15.209 1.00 1.00 H new ATOM 0 HH22 ARG A 21 34.331 -24.456 -13.519 1.00 1.00 H new ATOM 319 N PRO A 22 35.495 -15.827 -11.321 1.00 1.00 N ATOM 320 CA PRO A 22 35.322 -15.023 -10.081 1.00 1.00 C ATOM 321 C PRO A 22 34.398 -15.699 -9.072 1.00 1.00 C ATOM 322 O PRO A 22 34.341 -15.315 -7.904 1.00 1.00 O ATOM 323 CB PRO A 22 34.737 -13.699 -10.594 1.00 1.00 C ATOM 324 CG PRO A 22 34.017 -14.033 -11.875 1.00 1.00 C ATOM 325 CD PRO A 22 34.560 -15.391 -12.371 1.00 1.00 C ATOM 0 HA PRO A 22 36.257 -14.893 -9.537 1.00 1.00 H new ATOM 0 HB2 PRO A 22 34.054 -13.265 -9.864 1.00 1.00 H new ATOM 0 HB3 PRO A 22 35.524 -12.966 -10.769 1.00 1.00 H new ATOM 0 HG2 PRO A 22 32.941 -14.088 -11.707 1.00 1.00 H new ATOM 0 HG3 PRO A 22 34.184 -13.257 -12.622 1.00 1.00 H new ATOM 0 HD2 PRO A 22 33.755 -16.113 -12.509 1.00 1.00 H new ATOM 0 HD3 PRO A 22 35.064 -15.289 -13.332 1.00 1.00 H new ATOM 333 N ARG A 23 33.681 -16.702 -9.548 1.00 1.00 N ATOM 334 CA ARG A 23 32.740 -17.455 -8.708 1.00 1.00 C ATOM 335 C ARG A 23 31.407 -16.715 -8.606 1.00 1.00 C ATOM 336 O ARG A 23 31.363 -15.552 -8.211 1.00 1.00 O ATOM 337 CB ARG A 23 33.330 -17.671 -7.296 1.00 1.00 C ATOM 338 CG ARG A 23 32.772 -18.969 -6.672 1.00 1.00 C ATOM 339 CD ARG A 23 33.650 -20.163 -7.057 1.00 1.00 C ATOM 340 NE ARG A 23 34.944 -20.063 -6.396 1.00 1.00 N ATOM 341 CZ ARG A 23 35.061 -20.287 -5.091 1.00 1.00 C ATOM 342 NH1 ARG A 23 34.003 -20.583 -4.386 1.00 1.00 N ATOM 343 NH2 ARG A 23 36.228 -20.204 -4.515 1.00 1.00 N ATOM 0 H ARG A 23 33.727 -17.022 -10.515 1.00 1.00 H new ATOM 0 HA ARG A 23 32.570 -18.427 -9.171 1.00 1.00 H new ATOM 0 HB2 ARG A 23 34.417 -17.726 -7.354 1.00 1.00 H new ATOM 0 HB3 ARG A 23 33.087 -16.820 -6.659 1.00 1.00 H new ATOM 0 HG2 ARG A 23 32.734 -18.872 -5.587 1.00 1.00 H new ATOM 0 HG3 ARG A 23 31.750 -19.135 -7.014 1.00 1.00 H new ATOM 0 HD2 ARG A 23 33.158 -21.093 -6.773 1.00 1.00 H new ATOM 0 HD3 ARG A 23 33.786 -20.192 -8.138 1.00 1.00 H new ATOM 0 HE ARG A 23 35.771 -19.818 -6.941 1.00 1.00 H new ATOM 0 HH11 ARG A 23 33.090 -20.642 -4.837 1.00 1.00 H new ATOM 0 HH12 ARG A 23 34.089 -20.755 -3.384 1.00 1.00 H new ATOM 0 HH21 ARG A 23 37.053 -19.967 -5.066 1.00 1.00 H new ATOM 0 HH22 ARG A 23 36.316 -20.376 -3.513 1.00 1.00 H new ATOM 357 N GLY A 24 30.320 -17.402 -8.962 1.00 1.00 N ATOM 358 CA GLY A 24 28.984 -16.794 -8.899 1.00 1.00 C ATOM 359 C GLY A 24 28.318 -17.086 -7.556 1.00 1.00 C ATOM 360 O GLY A 24 28.169 -16.195 -6.720 1.00 1.00 O ATOM 0 H GLY A 24 30.334 -18.367 -9.293 1.00 1.00 H new ATOM 0 HA2 GLY A 24 29.063 -15.717 -9.044 1.00 1.00 H new ATOM 0 HA3 GLY A 24 28.365 -17.181 -9.709 1.00 1.00 H new ATOM 364 N GLN A 25 27.918 -18.343 -7.361 1.00 1.00 N ATOM 365 CA GLN A 25 27.263 -18.745 -6.115 1.00 1.00 C ATOM 366 C GLN A 25 26.068 -17.845 -5.829 1.00 1.00 C ATOM 367 O GLN A 25 26.122 -16.977 -4.958 1.00 1.00 O ATOM 368 CB GLN A 25 28.251 -18.669 -4.949 1.00 1.00 C ATOM 369 CG GLN A 25 27.611 -19.247 -3.680 1.00 1.00 C ATOM 370 CD GLN A 25 28.484 -18.937 -2.470 1.00 1.00 C ATOM 371 OE1 GLN A 25 29.024 -19.846 -1.841 1.00 1.00 O ATOM 372 NE2 GLN A 25 28.649 -17.694 -2.103 1.00 1.00 N ATOM 0 H GLN A 25 28.034 -19.094 -8.042 1.00 1.00 H new ATOM 0 HA GLN A 25 26.917 -19.773 -6.226 1.00 1.00 H new ATOM 0 HB2 GLN A 25 29.158 -19.222 -5.193 1.00 1.00 H new ATOM 0 HB3 GLN A 25 28.546 -17.634 -4.778 1.00 1.00 H new ATOM 0 HG2 GLN A 25 26.616 -18.824 -3.539 1.00 1.00 H new ATOM 0 HG3 GLN A 25 27.487 -20.325 -3.783 1.00 1.00 H new ATOM 0 HE21 GLN A 25 28.199 -16.943 -2.627 1.00 1.00 H new ATOM 0 HE22 GLN A 25 29.227 -17.474 -1.292 1.00 1.00 H new ATOM 381 N ASN A 26 24.992 -18.065 -6.565 1.00 1.00 N ATOM 382 CA ASN A 26 23.778 -17.263 -6.369 1.00 1.00 C ATOM 383 C ASN A 26 23.181 -17.504 -4.988 1.00 1.00 C ATOM 384 O ASN A 26 22.668 -16.581 -4.358 1.00 1.00 O ATOM 385 CB ASN A 26 22.718 -17.519 -7.475 1.00 1.00 C ATOM 386 CG ASN A 26 21.406 -16.839 -7.103 1.00 1.00 C ATOM 387 OD1 ASN A 26 20.343 -17.451 -7.190 1.00 1.00 O ATOM 388 ND2 ASN A 26 21.418 -15.606 -6.681 1.00 1.00 N ATOM 0 H ASN A 26 24.925 -18.776 -7.293 1.00 1.00 H new ATOM 0 HA ASN A 26 24.076 -16.217 -6.442 1.00 1.00 H new ATOM 0 HB2 ASN A 26 23.077 -17.137 -8.431 1.00 1.00 H new ATOM 0 HB3 ASN A 26 22.560 -18.590 -7.599 1.00 1.00 H new ATOM 0 HD21 ASN A 26 20.545 -15.147 -6.422 1.00 1.00 H new ATOM 0 HD22 ASN A 26 22.301 -15.100 -6.609 1.00 1.00 H new ATOM 395 N LYS A 27 23.247 -18.742 -4.532 1.00 1.00 N ATOM 396 CA LYS A 27 22.693 -19.118 -3.226 1.00 1.00 C ATOM 397 C LYS A 27 21.274 -18.567 -3.053 1.00 1.00 C ATOM 398 O LYS A 27 20.670 -18.712 -1.991 1.00 1.00 O ATOM 399 CB LYS A 27 23.618 -18.629 -2.098 1.00 1.00 C ATOM 400 CG LYS A 27 23.206 -19.273 -0.763 1.00 1.00 C ATOM 401 CD LYS A 27 24.361 -19.178 0.238 1.00 1.00 C ATOM 402 CE LYS A 27 23.915 -19.745 1.587 1.00 1.00 C ATOM 403 NZ LYS A 27 25.097 -19.885 2.483 1.00 1.00 N ATOM 0 H LYS A 27 23.679 -19.513 -5.042 1.00 1.00 H new ATOM 0 HA LYS A 27 22.632 -20.205 -3.175 1.00 1.00 H new ATOM 0 HB2 LYS A 27 24.653 -18.882 -2.329 1.00 1.00 H new ATOM 0 HB3 LYS A 27 23.566 -17.543 -2.019 1.00 1.00 H new ATOM 0 HG2 LYS A 27 22.325 -18.771 -0.364 1.00 1.00 H new ATOM 0 HG3 LYS A 27 22.935 -20.317 -0.921 1.00 1.00 H new ATOM 0 HD2 LYS A 27 25.224 -19.730 -0.133 1.00 1.00 H new ATOM 0 HD3 LYS A 27 24.672 -18.140 0.353 1.00 1.00 H new ATOM 0 HE2 LYS A 27 23.175 -19.087 2.043 1.00 1.00 H new ATOM 0 HE3 LYS A 27 23.436 -20.714 1.446 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 24.794 -20.270 3.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 25.788 -20.529 2.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 25.536 -18.953 2.627 1.00 1.00 H new ATOM 417 N GLU A 28 20.741 -17.959 -4.117 1.00 1.00 N ATOM 418 CA GLU A 28 19.390 -17.408 -4.100 1.00 1.00 C ATOM 419 C GLU A 28 19.235 -16.364 -3.009 1.00 1.00 C ATOM 420 O GLU A 28 18.294 -16.410 -2.218 1.00 1.00 O ATOM 421 CB GLU A 28 18.387 -18.533 -3.900 1.00 1.00 C ATOM 422 CG GLU A 28 18.470 -19.473 -5.098 1.00 1.00 C ATOM 423 CD GLU A 28 17.529 -20.656 -4.888 1.00 1.00 C ATOM 424 OE1 GLU A 28 16.833 -20.663 -3.885 1.00 1.00 O ATOM 425 OE2 GLU A 28 17.519 -21.539 -5.730 1.00 1.00 O ATOM 0 H GLU A 28 21.231 -17.837 -5.004 1.00 1.00 H new ATOM 0 HA GLU A 28 19.203 -16.918 -5.056 1.00 1.00 H new ATOM 0 HB2 GLU A 28 18.603 -19.074 -2.978 1.00 1.00 H new ATOM 0 HB3 GLU A 28 17.379 -18.129 -3.804 1.00 1.00 H new ATOM 0 HG2 GLU A 28 18.202 -18.940 -6.010 1.00 1.00 H new ATOM 0 HG3 GLU A 28 19.493 -19.827 -5.225 1.00 1.00 H new ATOM 432 N ARG A 29 20.163 -15.415 -2.982 1.00 1.00 N ATOM 433 CA ARG A 29 20.113 -14.347 -1.988 1.00 1.00 C ATOM 434 C ARG A 29 21.141 -13.250 -2.301 1.00 1.00 C ATOM 435 O ARG A 29 22.201 -13.530 -2.860 1.00 1.00 O ATOM 436 CB ARG A 29 20.385 -14.924 -0.599 1.00 1.00 C ATOM 437 CG ARG A 29 21.629 -15.811 -0.637 1.00 1.00 C ATOM 438 CD ARG A 29 21.909 -16.334 0.773 1.00 1.00 C ATOM 439 NE ARG A 29 20.937 -17.357 1.139 1.00 1.00 N ATOM 440 CZ ARG A 29 20.815 -17.764 2.396 1.00 1.00 C ATOM 441 NH1 ARG A 29 21.574 -17.247 3.324 1.00 1.00 N ATOM 442 NH2 ARG A 29 19.937 -18.679 2.706 1.00 1.00 N ATOM 0 H ARG A 29 20.951 -15.362 -3.628 1.00 1.00 H new ATOM 0 HA ARG A 29 19.118 -13.902 -2.015 1.00 1.00 H new ATOM 0 HB2 ARG A 29 20.526 -14.116 0.119 1.00 1.00 H new ATOM 0 HB3 ARG A 29 19.525 -15.503 -0.262 1.00 1.00 H new ATOM 0 HG2 ARG A 29 21.477 -16.643 -1.324 1.00 1.00 H new ATOM 0 HG3 ARG A 29 22.484 -15.245 -1.006 1.00 1.00 H new ATOM 0 HD2 ARG A 29 22.917 -16.747 0.821 1.00 1.00 H new ATOM 0 HD3 ARG A 29 21.867 -15.512 1.487 1.00 1.00 H new ATOM 0 HE ARG A 29 20.342 -17.766 0.418 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.259 -16.531 3.082 1.00 1.00 H new ATOM 0 HH12 ARG A 29 21.482 -17.559 4.291 1.00 1.00 H new ATOM 0 HH21 ARG A 29 19.343 -19.082 1.981 1.00 1.00 H new ATOM 0 HH22 ARG A 29 19.845 -18.991 3.673 1.00 1.00 H new ATOM 456 N PRO A 30 20.851 -12.012 -1.950 1.00 1.00 N ATOM 457 CA PRO A 30 21.772 -10.866 -2.199 1.00 1.00 C ATOM 458 C PRO A 30 23.251 -11.258 -2.046 1.00 1.00 C ATOM 459 O PRO A 30 23.573 -12.213 -1.342 1.00 1.00 O ATOM 460 CB PRO A 30 21.356 -9.848 -1.128 1.00 1.00 C ATOM 461 CG PRO A 30 19.901 -10.116 -0.856 1.00 1.00 C ATOM 462 CD PRO A 30 19.614 -11.568 -1.285 1.00 1.00 C ATOM 0 HA PRO A 30 21.695 -10.485 -3.217 1.00 1.00 H new ATOM 0 HB2 PRO A 30 21.952 -9.966 -0.223 1.00 1.00 H new ATOM 0 HB3 PRO A 30 21.507 -8.827 -1.478 1.00 1.00 H new ATOM 0 HG2 PRO A 30 19.676 -9.976 0.201 1.00 1.00 H new ATOM 0 HG3 PRO A 30 19.272 -9.420 -1.411 1.00 1.00 H new ATOM 0 HD2 PRO A 30 19.379 -12.196 -0.426 1.00 1.00 H new ATOM 0 HD3 PRO A 30 18.760 -11.620 -1.961 1.00 1.00 H new ATOM 470 N PRO A 31 24.151 -10.535 -2.678 1.00 1.00 N ATOM 471 CA PRO A 31 25.612 -10.817 -2.591 1.00 1.00 C ATOM 472 C PRO A 31 26.025 -11.292 -1.189 1.00 1.00 C ATOM 473 O PRO A 31 26.166 -10.475 -0.280 1.00 1.00 O ATOM 474 CB PRO A 31 26.241 -9.451 -2.915 1.00 1.00 C ATOM 475 CG PRO A 31 25.265 -8.772 -3.832 1.00 1.00 C ATOM 476 CD PRO A 31 23.874 -9.372 -3.540 1.00 1.00 C ATOM 0 HA PRO A 31 25.927 -11.617 -3.261 1.00 1.00 H new ATOM 0 HB2 PRO A 31 26.401 -8.867 -2.009 1.00 1.00 H new ATOM 0 HB3 PRO A 31 27.213 -9.569 -3.394 1.00 1.00 H new ATOM 0 HG2 PRO A 31 25.263 -7.695 -3.663 1.00 1.00 H new ATOM 0 HG3 PRO A 31 25.542 -8.931 -4.874 1.00 1.00 H new ATOM 0 HD2 PRO A 31 23.227 -8.651 -3.039 1.00 1.00 H new ATOM 0 HD3 PRO A 31 23.369 -9.670 -4.459 1.00 1.00 H new ATOM 484 N PRO A 32 26.216 -12.580 -0.983 1.00 1.00 N ATOM 485 CA PRO A 32 26.608 -13.117 0.351 1.00 1.00 C ATOM 486 C PRO A 32 28.110 -12.978 0.598 1.00 1.00 C ATOM 487 O PRO A 32 28.917 -13.581 -0.110 1.00 1.00 O ATOM 488 CB PRO A 32 26.187 -14.591 0.280 1.00 1.00 C ATOM 489 CG PRO A 32 26.251 -14.957 -1.177 1.00 1.00 C ATOM 490 CD PRO A 32 26.086 -13.654 -1.986 1.00 1.00 C ATOM 0 HA PRO A 32 26.138 -12.579 1.174 1.00 1.00 H new ATOM 0 HB2 PRO A 32 26.853 -15.218 0.872 1.00 1.00 H new ATOM 0 HB3 PRO A 32 25.181 -14.731 0.676 1.00 1.00 H new ATOM 0 HG2 PRO A 32 27.201 -15.437 -1.411 1.00 1.00 H new ATOM 0 HG3 PRO A 32 25.464 -15.668 -1.429 1.00 1.00 H new ATOM 0 HD2 PRO A 32 26.848 -13.568 -2.761 1.00 1.00 H new ATOM 0 HD3 PRO A 32 25.118 -13.616 -2.485 1.00 1.00 H new ATOM 498 N VAL A 33 28.481 -12.179 1.602 1.00 1.00 N ATOM 499 CA VAL A 33 29.894 -11.974 1.917 1.00 1.00 C ATOM 500 C VAL A 33 30.391 -13.034 2.916 1.00 1.00 C ATOM 501 O VAL A 33 29.878 -13.111 4.034 1.00 1.00 O ATOM 502 CB VAL A 33 30.089 -10.576 2.513 1.00 1.00 C ATOM 503 CG1 VAL A 33 29.517 -9.538 1.543 1.00 1.00 C ATOM 504 CG2 VAL A 33 29.383 -10.464 3.874 1.00 1.00 C ATOM 0 H VAL A 33 27.832 -11.671 2.202 1.00 1.00 H new ATOM 0 HA VAL A 33 30.471 -12.067 0.997 1.00 1.00 H new ATOM 0 HB VAL A 33 31.153 -10.397 2.665 1.00 1.00 H new ATOM 0 HG11 VAL A 33 29.651 -8.539 1.958 1.00 1.00 H new ATOM 0 HG12 VAL A 33 30.038 -9.607 0.588 1.00 1.00 H new ATOM 0 HG13 VAL A 33 28.455 -9.728 1.391 1.00 1.00 H new ATOM 0 HG21 VAL A 33 29.533 -9.464 4.281 1.00 1.00 H new ATOM 0 HG22 VAL A 33 28.316 -10.647 3.747 1.00 1.00 H new ATOM 0 HG23 VAL A 33 29.798 -11.201 4.561 1.00 1.00 H new ATOM 514 N PRO A 34 31.374 -13.847 2.565 1.00 1.00 N ATOM 515 CA PRO A 34 31.901 -14.882 3.506 1.00 1.00 C ATOM 516 C PRO A 34 32.264 -14.301 4.876 1.00 1.00 C ATOM 517 O PRO A 34 32.662 -13.142 4.990 1.00 1.00 O ATOM 518 CB PRO A 34 33.156 -15.429 2.803 1.00 1.00 C ATOM 519 CG PRO A 34 32.972 -15.132 1.347 1.00 1.00 C ATOM 520 CD PRO A 34 32.069 -13.894 1.256 1.00 1.00 C ATOM 0 HA PRO A 34 31.153 -15.648 3.711 1.00 1.00 H new ATOM 0 HB2 PRO A 34 34.058 -14.953 3.188 1.00 1.00 H new ATOM 0 HB3 PRO A 34 33.263 -16.500 2.973 1.00 1.00 H new ATOM 0 HG2 PRO A 34 33.932 -14.946 0.866 1.00 1.00 H new ATOM 0 HG3 PRO A 34 32.518 -15.980 0.834 1.00 1.00 H new ATOM 0 HD2 PRO A 34 32.652 -12.989 1.083 1.00 1.00 H new ATOM 0 HD3 PRO A 34 31.360 -13.979 0.433 1.00 1.00 H new ATOM 528 N ASN A 35 32.117 -15.128 5.912 1.00 1.00 N ATOM 529 CA ASN A 35 32.429 -14.717 7.285 1.00 1.00 C ATOM 530 C ASN A 35 33.883 -15.072 7.641 1.00 1.00 C ATOM 531 O ASN A 35 34.585 -14.287 8.278 1.00 1.00 O ATOM 532 CB ASN A 35 31.463 -15.400 8.286 1.00 1.00 C ATOM 533 CG ASN A 35 30.301 -16.063 7.548 1.00 1.00 C ATOM 534 OD1 ASN A 35 30.200 -17.291 7.522 1.00 1.00 O ATOM 535 ND2 ASN A 35 29.414 -15.323 6.943 1.00 1.00 N ATOM 0 H ASN A 35 31.783 -16.088 5.828 1.00 1.00 H new ATOM 0 HA ASN A 35 32.305 -13.636 7.352 1.00 1.00 H new ATOM 0 HB2 ASN A 35 32.003 -16.146 8.869 1.00 1.00 H new ATOM 0 HB3 ASN A 35 31.079 -14.662 8.990 1.00 1.00 H new ATOM 0 HD21 ASN A 35 28.637 -15.761 6.448 1.00 1.00 H new ATOM 0 HD22 ASN A 35 29.498 -14.307 6.964 1.00 1.00 H new ATOM 542 N PRO A 36 34.330 -16.244 7.254 1.00 1.00 N ATOM 543 CA PRO A 36 35.717 -16.723 7.549 1.00 1.00 C ATOM 544 C PRO A 36 36.782 -15.791 6.973 1.00 1.00 C ATOM 545 O PRO A 36 37.944 -15.838 7.376 1.00 1.00 O ATOM 546 CB PRO A 36 35.773 -18.125 6.903 1.00 1.00 C ATOM 547 CG PRO A 36 34.343 -18.538 6.737 1.00 1.00 C ATOM 548 CD PRO A 36 33.563 -17.248 6.501 1.00 1.00 C ATOM 0 HA PRO A 36 35.925 -16.747 8.619 1.00 1.00 H new ATOM 0 HB2 PRO A 36 36.288 -18.096 5.943 1.00 1.00 H new ATOM 0 HB3 PRO A 36 36.315 -18.828 7.535 1.00 1.00 H new ATOM 0 HG2 PRO A 36 34.229 -19.223 5.897 1.00 1.00 H new ATOM 0 HG3 PRO A 36 33.980 -19.058 7.624 1.00 1.00 H new ATOM 0 HD2 PRO A 36 33.508 -17.000 5.441 1.00 1.00 H new ATOM 0 HD3 PRO A 36 32.538 -17.326 6.864 1.00 1.00 H new ATOM 556 N ASP A 37 36.374 -14.943 6.033 1.00 1.00 N ATOM 557 CA ASP A 37 37.298 -13.999 5.412 1.00 1.00 C ATOM 558 C ASP A 37 37.444 -12.746 6.272 1.00 1.00 C ATOM 559 O ASP A 37 38.176 -11.824 5.915 1.00 1.00 O ATOM 560 CB ASP A 37 36.790 -13.607 4.022 1.00 1.00 C ATOM 561 CG ASP A 37 35.506 -12.797 4.153 1.00 1.00 C ATOM 562 OD1 ASP A 37 34.971 -12.745 5.248 1.00 1.00 O ATOM 563 OD2 ASP A 37 35.074 -12.242 3.156 1.00 1.00 O ATOM 0 H ASP A 37 35.416 -14.890 5.686 1.00 1.00 H new ATOM 0 HA ASP A 37 38.272 -14.481 5.321 1.00 1.00 H new ATOM 0 HB2 ASP A 37 37.548 -13.023 3.499 1.00 1.00 H new ATOM 0 HB3 ASP A 37 36.608 -14.501 3.425 1.00 1.00 H new ATOM 568 N TYR A 38 36.741 -12.717 7.406 1.00 1.00 N ATOM 569 CA TYR A 38 36.800 -11.568 8.315 1.00 1.00 C ATOM 570 C TYR A 38 37.492 -11.954 9.608 1.00 1.00 C ATOM 571 O TYR A 38 37.226 -11.369 10.659 1.00 1.00 O ATOM 572 CB TYR A 38 35.393 -11.075 8.646 1.00 1.00 C ATOM 573 CG TYR A 38 35.479 -9.762 9.395 1.00 1.00 C ATOM 574 CD1 TYR A 38 35.947 -8.612 8.743 1.00 1.00 C ATOM 575 CD2 TYR A 38 35.096 -9.692 10.742 1.00 1.00 C ATOM 576 CE1 TYR A 38 36.026 -7.397 9.436 1.00 1.00 C ATOM 577 CE2 TYR A 38 35.176 -8.478 11.432 1.00 1.00 C ATOM 578 CZ TYR A 38 35.643 -7.330 10.781 1.00 1.00 C ATOM 579 OH TYR A 38 35.720 -6.133 11.463 1.00 1.00 O ATOM 0 H TYR A 38 36.128 -13.470 7.717 1.00 1.00 H new ATOM 0 HA TYR A 38 37.359 -10.776 7.817 1.00 1.00 H new ATOM 0 HB2 TYR A 38 34.817 -10.946 7.730 1.00 1.00 H new ATOM 0 HB3 TYR A 38 34.869 -11.816 9.250 1.00 1.00 H new ATOM 0 HD1 TYR A 38 36.247 -8.663 7.707 1.00 1.00 H new ATOM 0 HD2 TYR A 38 34.739 -10.577 11.248 1.00 1.00 H new ATOM 0 HE1 TYR A 38 36.383 -6.511 8.932 1.00 1.00 H new ATOM 0 HE2 TYR A 38 34.877 -8.426 12.469 1.00 1.00 H new ATOM 0 HH TYR A 38 35.415 -6.262 12.385 1.00 1.00 H new ATOM 589 N GLU A 39 38.382 -12.944 9.534 1.00 1.00 N ATOM 590 CA GLU A 39 39.106 -13.397 10.721 1.00 1.00 C ATOM 591 C GLU A 39 40.597 -13.567 10.423 1.00 1.00 C ATOM 592 O GLU A 39 41.130 -14.673 10.495 1.00 1.00 O ATOM 593 CB GLU A 39 38.523 -14.727 11.219 1.00 1.00 C ATOM 594 CG GLU A 39 37.177 -14.473 11.907 1.00 1.00 C ATOM 595 CD GLU A 39 36.529 -15.800 12.293 1.00 1.00 C ATOM 596 OE1 GLU A 39 36.717 -16.762 11.568 1.00 1.00 O ATOM 597 OE2 GLU A 39 35.853 -15.832 13.308 1.00 1.00 O ATOM 0 H GLU A 39 38.617 -13.442 8.675 1.00 1.00 H new ATOM 0 HA GLU A 39 38.993 -12.639 11.496 1.00 1.00 H new ATOM 0 HB2 GLU A 39 38.392 -15.414 10.383 1.00 1.00 H new ATOM 0 HB3 GLU A 39 39.215 -15.201 11.915 1.00 1.00 H new ATOM 0 HG2 GLU A 39 37.324 -13.859 12.795 1.00 1.00 H new ATOM 0 HG3 GLU A 39 36.518 -13.917 11.240 1.00 1.00 H new ATOM 604 N PRO A 40 41.273 -12.492 10.095 1.00 1.00 N ATOM 605 CA PRO A 40 42.731 -12.519 9.787 1.00 1.00 C ATOM 606 C PRO A 40 43.596 -12.561 11.045 1.00 1.00 C ATOM 607 O PRO A 40 44.741 -12.107 11.036 1.00 1.00 O ATOM 608 CB PRO A 40 42.954 -11.219 9.000 1.00 1.00 C ATOM 609 CG PRO A 40 41.896 -10.272 9.491 1.00 1.00 C ATOM 610 CD PRO A 40 40.717 -11.132 9.980 1.00 1.00 C ATOM 0 HA PRO A 40 43.016 -13.414 9.233 1.00 1.00 H new ATOM 0 HB2 PRO A 40 43.952 -10.819 9.176 1.00 1.00 H new ATOM 0 HB3 PRO A 40 42.863 -11.388 7.927 1.00 1.00 H new ATOM 0 HG2 PRO A 40 42.280 -9.649 10.299 1.00 1.00 H new ATOM 0 HG3 PRO A 40 41.579 -9.600 8.693 1.00 1.00 H new ATOM 0 HD2 PRO A 40 40.337 -10.776 10.938 1.00 1.00 H new ATOM 0 HD3 PRO A 40 39.885 -11.102 9.276 1.00 1.00 H new ATOM 618 N ILE A 41 43.043 -13.106 12.125 1.00 1.00 N ATOM 619 CA ILE A 41 43.763 -13.206 13.387 1.00 1.00 C ATOM 620 C ILE A 41 44.251 -14.626 13.618 1.00 1.00 C ATOM 621 O ILE A 41 44.795 -14.944 14.674 1.00 1.00 O ATOM 622 CB ILE A 41 42.854 -12.792 14.540 1.00 1.00 C ATOM 623 CG1 ILE A 41 41.516 -13.586 14.491 1.00 1.00 C ATOM 624 CG2 ILE A 41 42.609 -11.280 14.463 1.00 1.00 C ATOM 625 CD1 ILE A 41 40.429 -12.824 13.717 1.00 1.00 C ATOM 0 H ILE A 41 42.096 -13.485 12.149 1.00 1.00 H new ATOM 0 HA ILE A 41 44.624 -12.540 13.341 1.00 1.00 H new ATOM 0 HB ILE A 41 43.335 -13.024 15.490 1.00 1.00 H new ATOM 0 HG12 ILE A 41 41.685 -14.555 14.021 1.00 1.00 H new ATOM 0 HG13 ILE A 41 41.171 -13.780 15.507 1.00 1.00 H new ATOM 0 HG21 ILE A 41 41.960 -10.974 15.284 1.00 1.00 H new ATOM 0 HG22 ILE A 41 43.560 -10.753 14.537 1.00 1.00 H new ATOM 0 HG23 ILE A 41 42.132 -11.037 13.513 1.00 1.00 H new ATOM 0 HD11 ILE A 41 39.511 -13.411 13.706 1.00 1.00 H new ATOM 0 HD12 ILE A 41 40.241 -11.866 14.202 1.00 1.00 H new ATOM 0 HD13 ILE A 41 40.763 -12.653 12.694 1.00 1.00 H new ATOM 637 N ARG A 42 44.041 -15.478 12.625 1.00 1.00 N ATOM 638 CA ARG A 42 44.451 -16.881 12.721 1.00 1.00 C ATOM 639 C ARG A 42 45.830 -17.080 12.101 1.00 1.00 C ATOM 640 O ARG A 42 45.944 -17.385 10.916 1.00 1.00 O ATOM 641 CB ARG A 42 43.446 -17.772 11.981 1.00 1.00 C ATOM 642 CG ARG A 42 42.011 -17.482 12.448 1.00 1.00 C ATOM 643 CD ARG A 42 41.754 -18.129 13.811 1.00 1.00 C ATOM 644 NE ARG A 42 41.951 -19.570 13.725 1.00 1.00 N ATOM 645 CZ ARG A 42 41.718 -20.358 14.768 1.00 1.00 C ATOM 646 NH1 ARG A 42 41.314 -19.844 15.897 1.00 1.00 N ATOM 647 NH2 ARG A 42 41.895 -21.646 14.662 1.00 1.00 N ATOM 0 H ARG A 42 43.591 -15.228 11.744 1.00 1.00 H new ATOM 0 HA ARG A 42 44.485 -17.153 13.776 1.00 1.00 H new ATOM 0 HB2 ARG A 42 43.525 -17.602 10.907 1.00 1.00 H new ATOM 0 HB3 ARG A 42 43.685 -18.821 12.156 1.00 1.00 H new ATOM 0 HG2 ARG A 42 41.853 -16.405 12.514 1.00 1.00 H new ATOM 0 HG3 ARG A 42 41.299 -17.864 11.716 1.00 1.00 H new ATOM 0 HD2 ARG A 42 42.427 -17.706 14.556 1.00 1.00 H new ATOM 0 HD3 ARG A 42 40.738 -17.912 14.140 1.00 1.00 H new ATOM 0 HE ARG A 42 42.273 -19.980 12.849 1.00 1.00 H new ATOM 0 HH11 ARG A 42 41.177 -18.837 15.979 1.00 1.00 H new ATOM 0 HH12 ARG A 42 41.135 -20.450 16.698 1.00 1.00 H new ATOM 0 HH21 ARG A 42 42.212 -22.046 13.779 1.00 1.00 H new ATOM 0 HH22 ARG A 42 41.717 -22.253 15.462 1.00 1.00 H new ATOM 661 N LYS A 43 46.873 -16.921 12.916 1.00 1.00 N ATOM 662 CA LYS A 43 48.246 -17.099 12.443 1.00 1.00 C ATOM 663 C LYS A 43 49.229 -16.785 13.587 1.00 1.00 C ATOM 664 O LYS A 43 49.219 -15.676 14.123 1.00 1.00 O ATOM 665 CB LYS A 43 48.506 -16.168 11.226 1.00 1.00 C ATOM 666 CG LYS A 43 48.711 -16.983 9.932 1.00 1.00 C ATOM 667 CD LYS A 43 50.113 -17.594 9.928 1.00 1.00 C ATOM 668 CE LYS A 43 50.308 -18.444 8.674 1.00 1.00 C ATOM 669 NZ LYS A 43 51.684 -19.016 8.682 1.00 1.00 N ATOM 0 H LYS A 43 46.794 -16.671 13.902 1.00 1.00 H new ATOM 0 HA LYS A 43 48.395 -18.132 12.127 1.00 1.00 H new ATOM 0 HB2 LYS A 43 47.665 -15.487 11.100 1.00 1.00 H new ATOM 0 HB3 LYS A 43 49.387 -15.555 11.416 1.00 1.00 H new ATOM 0 HG2 LYS A 43 47.960 -17.770 9.863 1.00 1.00 H new ATOM 0 HG3 LYS A 43 48.581 -16.341 9.061 1.00 1.00 H new ATOM 0 HD2 LYS A 43 50.863 -16.804 9.962 1.00 1.00 H new ATOM 0 HD3 LYS A 43 50.254 -18.207 10.818 1.00 1.00 H new ATOM 0 HE2 LYS A 43 49.568 -19.244 8.643 1.00 1.00 H new ATOM 0 HE3 LYS A 43 50.158 -17.837 7.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 51.824 -19.596 7.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 52.381 -18.244 8.693 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 51.809 -19.607 9.528 1.00 1.00 H new ATOM 683 N GLY A 44 50.066 -17.758 13.962 1.00 1.00 N ATOM 684 CA GLY A 44 51.030 -17.545 15.050 1.00 1.00 C ATOM 685 C GLY A 44 51.878 -16.303 14.805 1.00 1.00 C ATOM 686 O GLY A 44 51.638 -15.246 15.388 1.00 1.00 O ATOM 0 H GLY A 44 50.098 -18.685 13.538 1.00 1.00 H new ATOM 0 HA2 GLY A 44 50.497 -17.443 15.996 1.00 1.00 H new ATOM 0 HA3 GLY A 44 51.677 -18.417 15.141 1.00 1.00 H new ATOM 690 N GLN A 45 52.876 -16.446 13.942 1.00 1.00 N ATOM 691 CA GLN A 45 53.773 -15.330 13.623 1.00 1.00 C ATOM 692 C GLN A 45 54.453 -14.819 14.888 1.00 1.00 C ATOM 693 O GLN A 45 54.139 -13.737 15.384 1.00 1.00 O ATOM 694 CB GLN A 45 52.970 -14.199 12.979 1.00 1.00 C ATOM 695 CG GLN A 45 53.914 -13.201 12.302 1.00 1.00 C ATOM 696 CD GLN A 45 54.571 -13.844 11.085 1.00 1.00 C ATOM 697 OE1 GLN A 45 53.850 -14.570 10.276 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 55.773 -13.684 10.870 1.00 1.00 N flip ATOM 0 H GLN A 45 53.088 -17.315 13.451 1.00 1.00 H new ATOM 0 HA GLN A 45 54.538 -15.678 12.929 1.00 1.00 H new ATOM 0 HB2 GLN A 45 52.275 -14.608 12.246 1.00 1.00 H new ATOM 0 HB3 GLN A 45 52.373 -13.690 13.736 1.00 1.00 H new ATOM 0 HG2 GLN A 45 53.360 -12.313 11.999 1.00 1.00 H new ATOM 0 HG3 GLN A 45 54.678 -12.875 13.008 1.00 1.00 H new ATOM 0 HE21 GLN A 45 56.333 -13.116 11.505 1.00 1.00 H new ATOM 0 HE22 GLN A 45 56.208 -14.120 10.057 1.00 1.00 H new ATOM 707 N ARG A 46 55.386 -15.611 15.400 1.00 1.00 N ATOM 708 CA ARG A 46 56.115 -15.244 16.610 1.00 1.00 C ATOM 709 C ARG A 46 57.452 -15.981 16.683 1.00 1.00 C ATOM 710 O ARG A 46 58.294 -15.674 17.527 1.00 1.00 O ATOM 711 CB ARG A 46 55.260 -15.555 17.852 1.00 1.00 C ATOM 712 CG ARG A 46 54.436 -16.836 17.632 1.00 1.00 C ATOM 713 CD ARG A 46 55.362 -18.032 17.365 1.00 1.00 C ATOM 714 NE ARG A 46 54.680 -19.282 17.697 1.00 1.00 N ATOM 715 CZ ARG A 46 53.926 -19.923 16.804 1.00 1.00 C ATOM 716 NH1 ARG A 46 53.778 -19.437 15.603 1.00 1.00 N ATOM 717 NH2 ARG A 46 53.334 -21.040 17.130 1.00 1.00 N ATOM 0 H ARG A 46 55.656 -16.509 14.999 1.00 1.00 H new ATOM 0 HA ARG A 46 56.321 -14.174 16.581 1.00 1.00 H new ATOM 0 HB2 ARG A 46 55.904 -15.675 18.723 1.00 1.00 H new ATOM 0 HB3 ARG A 46 54.594 -14.718 18.061 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.820 -17.034 18.509 1.00 1.00 H new ATOM 0 HG3 ARG A 46 53.757 -16.699 16.790 1.00 1.00 H new ATOM 0 HD2 ARG A 46 55.664 -18.041 16.318 1.00 1.00 H new ATOM 0 HD3 ARG A 46 56.272 -17.937 17.958 1.00 1.00 H new ATOM 0 HE ARG A 46 54.784 -19.673 18.634 1.00 1.00 H new ATOM 0 HH11 ARG A 46 54.240 -18.565 15.345 1.00 1.00 H new ATOM 0 HH12 ARG A 46 53.201 -19.929 14.921 1.00 1.00 H new ATOM 0 HH21 ARG A 46 53.448 -21.423 18.069 1.00 1.00 H new ATOM 0 HH22 ARG A 46 52.757 -21.530 16.446 1.00 1.00 H new ATOM 731 N ASP A 47 57.640 -16.948 15.790 1.00 1.00 N ATOM 732 CA ASP A 47 58.877 -17.726 15.744 1.00 1.00 C ATOM 733 C ASP A 47 59.830 -17.140 14.715 1.00 1.00 C ATOM 734 O ASP A 47 60.949 -17.625 14.543 1.00 1.00 O ATOM 735 CB ASP A 47 58.574 -19.183 15.387 1.00 1.00 C ATOM 736 CG ASP A 47 57.640 -19.788 16.428 1.00 1.00 C ATOM 737 OD1 ASP A 47 57.975 -19.731 17.600 1.00 1.00 O ATOM 738 OD2 ASP A 47 56.603 -20.298 16.039 1.00 1.00 O ATOM 0 H ASP A 47 56.951 -17.213 15.086 1.00 1.00 H new ATOM 0 HA ASP A 47 59.344 -17.687 16.728 1.00 1.00 H new ATOM 0 HB2 ASP A 47 58.116 -19.237 14.399 1.00 1.00 H new ATOM 0 HB3 ASP A 47 59.500 -19.755 15.340 1.00 1.00 H new ATOM 743 N LEU A 48 59.384 -16.087 14.037 1.00 1.00 N ATOM 744 CA LEU A 48 60.218 -15.440 13.032 1.00 1.00 C ATOM 745 C LEU A 48 61.437 -14.813 13.694 1.00 1.00 C ATOM 746 O LEU A 48 62.424 -14.509 13.032 1.00 1.00 O ATOM 747 CB LEU A 48 59.423 -14.360 12.279 1.00 1.00 C ATOM 748 CG LEU A 48 60.105 -14.048 10.927 1.00 1.00 C ATOM 749 CD1 LEU A 48 59.596 -15.005 9.841 1.00 1.00 C ATOM 750 CD2 LEU A 48 59.793 -12.607 10.507 1.00 1.00 C ATOM 0 H LEU A 48 58.462 -15.669 14.163 1.00 1.00 H new ATOM 0 HA LEU A 48 60.543 -16.195 12.316 1.00 1.00 H new ATOM 0 HB2 LEU A 48 58.401 -14.700 12.110 1.00 1.00 H new ATOM 0 HB3 LEU A 48 59.362 -13.454 12.883 1.00 1.00 H new ATOM 0 HG LEU A 48 61.181 -14.174 11.045 1.00 1.00 H new ATOM 0 HD11 LEU A 48 60.084 -14.774 8.894 1.00 1.00 H new ATOM 0 HD12 LEU A 48 59.824 -16.032 10.126 1.00 1.00 H new ATOM 0 HD13 LEU A 48 58.518 -14.890 9.731 1.00 1.00 H new ATOM 0 HD21 LEU A 48 60.276 -12.393 9.554 1.00 1.00 H new ATOM 0 HD22 LEU A 48 58.715 -12.484 10.403 1.00 1.00 H new ATOM 0 HD23 LEU A 48 60.166 -11.918 11.265 1.00 1.00 H new ATOM 762 N TYR A 49 61.355 -14.613 15.007 1.00 1.00 N ATOM 763 CA TYR A 49 62.467 -14.010 15.751 1.00 1.00 C ATOM 764 C TYR A 49 63.426 -15.087 16.263 1.00 1.00 C ATOM 765 O TYR A 49 64.603 -14.818 16.506 1.00 1.00 O ATOM 766 CB TYR A 49 61.938 -13.190 16.934 1.00 1.00 C ATOM 767 CG TYR A 49 63.053 -12.348 17.505 1.00 1.00 C ATOM 768 CD1 TYR A 49 63.900 -12.877 18.486 1.00 1.00 C ATOM 769 CD2 TYR A 49 63.236 -11.033 17.057 1.00 1.00 C ATOM 770 CE1 TYR A 49 64.929 -12.092 19.019 1.00 1.00 C ATOM 771 CE2 TYR A 49 64.266 -10.249 17.590 1.00 1.00 C ATOM 772 CZ TYR A 49 65.111 -10.778 18.571 1.00 1.00 C ATOM 773 OH TYR A 49 66.126 -10.003 19.098 1.00 1.00 O ATOM 0 H TYR A 49 60.543 -14.855 15.575 1.00 1.00 H new ATOM 0 HA TYR A 49 63.007 -13.352 15.071 1.00 1.00 H new ATOM 0 HB2 TYR A 49 61.117 -12.552 16.609 1.00 1.00 H new ATOM 0 HB3 TYR A 49 61.541 -13.854 17.701 1.00 1.00 H new ATOM 0 HD1 TYR A 49 63.760 -13.891 18.831 1.00 1.00 H new ATOM 0 HD2 TYR A 49 62.582 -10.624 16.301 1.00 1.00 H new ATOM 0 HE1 TYR A 49 65.583 -12.500 19.776 1.00 1.00 H new ATOM 0 HE2 TYR A 49 64.408 -9.236 17.244 1.00 1.00 H new ATOM 0 HH TYR A 49 66.114 -9.118 18.677 1.00 1.00 H new ATOM 783 N SER A 50 62.912 -16.303 16.432 1.00 1.00 N ATOM 784 CA SER A 50 63.731 -17.409 16.927 1.00 1.00 C ATOM 785 C SER A 50 64.875 -17.724 15.965 1.00 1.00 C ATOM 786 O SER A 50 66.012 -17.919 16.387 1.00 1.00 O ATOM 787 CB SER A 50 62.862 -18.652 17.114 1.00 1.00 C ATOM 788 OG SER A 50 63.697 -19.774 17.370 1.00 1.00 O ATOM 0 H SER A 50 61.941 -16.547 16.236 1.00 1.00 H new ATOM 0 HA SER A 50 64.160 -17.111 17.884 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.168 -18.504 17.942 1.00 1.00 H new ATOM 0 HB3 SER A 50 62.261 -18.827 16.222 1.00 1.00 H new ATOM 0 HG SER A 50 63.143 -20.573 17.492 1.00 1.00 H new ATOM 794 N GLY A 51 64.566 -17.777 14.673 1.00 1.00 N ATOM 795 CA GLY A 51 65.592 -18.075 13.661 1.00 1.00 C ATOM 796 C GLY A 51 66.593 -16.933 13.546 1.00 1.00 C ATOM 797 O GLY A 51 67.741 -17.136 13.151 1.00 1.00 O ATOM 0 H GLY A 51 63.630 -17.621 14.299 1.00 1.00 H new ATOM 0 HA2 GLY A 51 66.113 -18.995 13.926 1.00 1.00 H new ATOM 0 HA3 GLY A 51 65.117 -18.245 12.695 1.00 1.00 H new ATOM 801 N LEU A 52 66.146 -15.732 13.890 1.00 1.00 N ATOM 802 CA LEU A 52 67.003 -14.548 13.821 1.00 1.00 C ATOM 803 C LEU A 52 67.782 -14.382 15.119 1.00 1.00 C ATOM 804 O LEU A 52 68.512 -13.410 15.294 1.00 1.00 O ATOM 805 CB LEU A 52 66.166 -13.287 13.530 1.00 1.00 C ATOM 806 CG LEU A 52 65.830 -13.212 12.028 1.00 1.00 C ATOM 807 CD1 LEU A 52 67.085 -12.863 11.201 1.00 1.00 C ATOM 808 CD2 LEU A 52 65.268 -14.563 11.559 1.00 1.00 C ATOM 0 H LEU A 52 65.198 -15.549 14.219 1.00 1.00 H new ATOM 0 HA LEU A 52 67.712 -14.684 13.004 1.00 1.00 H new ATOM 0 HB2 LEU A 52 65.247 -13.307 14.116 1.00 1.00 H new ATOM 0 HB3 LEU A 52 66.717 -12.397 13.833 1.00 1.00 H new ATOM 0 HG LEU A 52 65.087 -12.429 11.879 1.00 1.00 H new ATOM 0 HD11 LEU A 52 66.823 -12.816 10.144 1.00 1.00 H new ATOM 0 HD12 LEU A 52 67.475 -11.897 11.522 1.00 1.00 H new ATOM 0 HD13 LEU A 52 67.845 -13.629 11.352 1.00 1.00 H new ATOM 0 HD21 LEU A 52 65.031 -14.509 10.497 1.00 1.00 H new ATOM 0 HD22 LEU A 52 66.010 -15.344 11.726 1.00 1.00 H new ATOM 0 HD23 LEU A 52 64.364 -14.796 12.121 1.00 1.00 H new ATOM 820 N ASN A 53 67.632 -15.342 16.025 1.00 1.00 N ATOM 821 CA ASN A 53 68.353 -15.278 17.294 1.00 1.00 C ATOM 822 C ASN A 53 69.854 -15.162 17.047 1.00 1.00 C ATOM 823 O ASN A 53 70.597 -14.735 17.930 1.00 1.00 O ATOM 824 CB ASN A 53 68.076 -16.529 18.145 1.00 1.00 C ATOM 825 CG ASN A 53 68.426 -17.780 17.349 1.00 1.00 C ATOM 826 OD1 ASN A 53 68.736 -17.673 16.085 1.00 1.00 O flip ATOM 827 ND2 ASN A 53 68.420 -18.886 17.892 1.00 1.00 N flip ATOM 0 H ASN A 53 67.031 -16.158 15.911 1.00 1.00 H new ATOM 0 HA ASN A 53 68.003 -14.397 17.832 1.00 1.00 H new ATOM 0 HB2 ASN A 53 68.664 -16.494 19.062 1.00 1.00 H new ATOM 0 HB3 ASN A 53 67.027 -16.555 18.439 1.00 1.00 H new ATOM 0 HD21 ASN A 53 68.178 -18.968 18.879 1.00 1.00 H new ATOM 0 HD22 ASN A 53 68.657 -19.720 17.354 1.00 1.00 H new ATOM 834 N GLN A 54 70.305 -15.550 15.852 1.00 1.00 N ATOM 835 CA GLN A 54 71.733 -15.483 15.535 1.00 1.00 C ATOM 836 C GLN A 54 72.556 -16.171 16.621 1.00 1.00 C ATOM 837 O GLN A 54 73.785 -16.157 16.575 1.00 1.00 O ATOM 838 CB GLN A 54 72.175 -14.024 15.407 1.00 1.00 C ATOM 839 CG GLN A 54 71.585 -13.421 14.132 1.00 1.00 C ATOM 840 CD GLN A 54 71.916 -11.935 14.056 1.00 1.00 C ATOM 841 OE1 GLN A 54 72.594 -11.403 14.936 1.00 1.00 O ATOM 842 NE2 GLN A 54 71.478 -11.232 13.050 1.00 1.00 N ATOM 0 H GLN A 54 69.715 -15.907 15.101 1.00 1.00 H new ATOM 0 HA GLN A 54 71.898 -15.996 14.588 1.00 1.00 H new ATOM 0 HB2 GLN A 54 71.845 -13.456 16.277 1.00 1.00 H new ATOM 0 HB3 GLN A 54 73.263 -13.964 15.380 1.00 1.00 H new ATOM 0 HG2 GLN A 54 71.984 -13.936 13.258 1.00 1.00 H new ATOM 0 HG3 GLN A 54 70.504 -13.562 14.119 1.00 1.00 H new ATOM 0 HE21 GLN A 54 70.917 -11.676 12.323 1.00 1.00 H new ATOM 0 HE22 GLN A 54 71.696 -10.237 12.989 1.00 1.00 H new ATOM 851 N ARG A 55 71.870 -16.770 17.595 1.00 1.00 N ATOM 852 CA ARG A 55 72.558 -17.463 18.689 1.00 1.00 C ATOM 853 C ARG A 55 73.377 -16.481 19.520 1.00 1.00 C ATOM 854 O ARG A 55 74.553 -16.254 19.245 1.00 1.00 O ATOM 855 CB ARG A 55 73.483 -18.549 18.123 1.00 1.00 C ATOM 856 CG ARG A 55 73.875 -19.542 19.232 1.00 1.00 C ATOM 857 CD ARG A 55 72.814 -20.642 19.359 1.00 1.00 C ATOM 858 NE ARG A 55 73.155 -21.545 20.449 1.00 1.00 N ATOM 859 CZ ARG A 55 72.328 -22.517 20.813 1.00 1.00 C ATOM 860 NH1 ARG A 55 71.193 -22.668 20.189 1.00 1.00 N ATOM 861 NH2 ARG A 55 72.648 -23.317 21.794 1.00 1.00 N ATOM 0 H ARG A 55 70.852 -16.791 17.651 1.00 1.00 H new ATOM 0 HA ARG A 55 71.805 -17.922 19.329 1.00 1.00 H new ATOM 0 HB2 ARG A 55 72.982 -19.077 17.312 1.00 1.00 H new ATOM 0 HB3 ARG A 55 74.378 -18.092 17.701 1.00 1.00 H new ATOM 0 HG2 ARG A 55 74.844 -19.986 19.006 1.00 1.00 H new ATOM 0 HG3 ARG A 55 73.979 -19.016 20.181 1.00 1.00 H new ATOM 0 HD2 ARG A 55 71.836 -20.195 19.539 1.00 1.00 H new ATOM 0 HD3 ARG A 55 72.743 -21.199 18.425 1.00 1.00 H new ATOM 0 HE ARG A 55 74.042 -21.429 20.940 1.00 1.00 H new ATOM 0 HH11 ARG A 55 70.944 -22.040 19.424 1.00 1.00 H new ATOM 0 HH12 ARG A 55 70.554 -23.414 20.465 1.00 1.00 H new ATOM 0 HH21 ARG A 55 73.535 -23.196 22.282 1.00 1.00 H new ATOM 0 HH22 ARG A 55 72.011 -24.063 22.072 1.00 1.00 H new ATOM 875 N ALA A 56 72.749 -15.907 20.539 1.00 1.00 N ATOM 876 CA ALA A 56 73.438 -14.948 21.413 1.00 1.00 C ATOM 877 C ALA A 56 74.312 -13.996 20.601 1.00 1.00 C ATOM 878 O ALA A 56 75.496 -13.822 20.891 1.00 1.00 O ATOM 879 CB ALA A 56 74.310 -15.697 22.418 1.00 1.00 C ATOM 0 H ALA A 56 71.774 -16.082 20.784 1.00 1.00 H new ATOM 0 HA ALA A 56 72.681 -14.365 21.939 1.00 1.00 H new ATOM 0 HB1 ALA A 56 74.818 -14.981 23.063 1.00 1.00 H new ATOM 0 HB2 ALA A 56 73.685 -16.352 23.025 1.00 1.00 H new ATOM 0 HB3 ALA A 56 75.050 -16.293 21.884 1.00 1.00 H new ATOM 885 N VAL A 57 73.712 -13.379 19.593 1.00 1.00 N ATOM 886 CA VAL A 57 74.424 -12.439 18.734 1.00 1.00 C ATOM 887 C VAL A 57 73.419 -11.503 18.065 1.00 1.00 C ATOM 888 O VAL A 57 72.249 -11.851 18.030 1.00 1.00 O ATOM 889 CB VAL A 57 75.234 -13.206 17.665 1.00 1.00 C ATOM 890 CG1 VAL A 57 75.655 -12.258 16.532 1.00 1.00 C ATOM 891 CG2 VAL A 57 76.493 -13.824 18.293 1.00 1.00 C ATOM 892 OXT VAL A 57 73.832 -10.454 17.600 1.00 1.00 O ATOM 0 H VAL A 57 72.731 -13.512 19.348 1.00 1.00 H new ATOM 0 HA VAL A 57 75.116 -11.851 19.337 1.00 1.00 H new ATOM 0 HB VAL A 57 74.601 -13.997 17.262 1.00 1.00 H new ATOM 0 HG11 VAL A 57 76.225 -12.813 15.786 1.00 1.00 H new ATOM 0 HG12 VAL A 57 74.767 -11.831 16.066 1.00 1.00 H new ATOM 0 HG13 VAL A 57 76.272 -11.457 16.938 1.00 1.00 H new ATOM 0 HG21 VAL A 57 77.054 -14.361 17.529 1.00 1.00 H new ATOM 0 HG22 VAL A 57 77.116 -13.034 18.712 1.00 1.00 H new ATOM 0 HG23 VAL A 57 76.203 -14.516 19.084 1.00 1.00 H new TER 902 VAL A 57