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 Set 1.1: A 43 LYS NZ :NH3+ -149:sc= 0.00704 (180deg=0) USER MOD Set 1.2: A 45 GLN :FLIP amide:sc= 0.00808 F(o=-1.7,f=0.015) USER MOD Set 2.1: A 4 ASN :FLIP amide:sc= -5.31! C(o=-9.2!,f=-6.8!) USER MOD Set 2.2: A 27 LYS NZ :NH3+ 144:sc= -1.51 (180deg=-0.238) USER MOD Single : A 1 CYS N :NH3+ 171:sc= -0.174 (180deg=-0.327) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -120:sc= -2.09! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 91:sc= 0.132 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -1.64 F(o=-5!,f=-1.6) USER MOD Single : A 26 ASN : amide:sc= -0.455 X(o=-0.46,f=-0.31) USER MOD Single : A 35 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.16) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.135 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.2 F(o=-3.7!,f=-1.2) USER MOD Single : A 54 GLN : amide:sc= -0.0414 K(o=-0.041,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 37.547 -12.605 -2.150 1.00 1.00 N ATOM 2 CA CYS A 1 38.037 -12.375 -3.539 1.00 1.00 C ATOM 3 C CYS A 1 38.642 -13.667 -4.084 1.00 1.00 C ATOM 4 O CYS A 1 39.371 -13.653 -5.075 1.00 1.00 O ATOM 5 CB CYS A 1 39.091 -11.266 -3.526 1.00 1.00 C ATOM 6 SG CYS A 1 38.273 -9.658 -3.374 1.00 1.00 S ATOM 0 H1 CYS A 1 37.275 -11.697 -1.723 1.00 1.00 H new ATOM 0 H2 CYS A 1 36.722 -13.237 -2.173 1.00 1.00 H new ATOM 0 H3 CYS A 1 38.302 -13.042 -1.584 1.00 1.00 H new ATOM 0 HA CYS A 1 37.208 -12.073 -4.179 1.00 1.00 H new ATOM 0 HB2 CYS A 1 39.781 -11.415 -2.695 1.00 1.00 H new ATOM 0 HB3 CYS A 1 39.682 -11.300 -4.441 1.00 1.00 H new ATOM 0 HG CYS A 1 39.168 -8.715 -3.361 1.00 1.00 H new ATOM 14 N SER A 2 38.337 -14.777 -3.425 1.00 1.00 N ATOM 15 CA SER A 2 38.852 -16.076 -3.845 1.00 1.00 C ATOM 16 C SER A 2 38.047 -17.201 -3.183 1.00 1.00 C ATOM 17 O SER A 2 37.900 -17.233 -1.961 1.00 1.00 O ATOM 18 CB SER A 2 40.328 -16.192 -3.452 1.00 1.00 C ATOM 19 OG SER A 2 40.512 -15.618 -2.168 1.00 1.00 O ATOM 0 H SER A 2 37.738 -14.806 -2.600 1.00 1.00 H new ATOM 0 HA SER A 2 38.757 -16.166 -4.927 1.00 1.00 H new ATOM 0 HB2 SER A 2 40.634 -17.238 -3.444 1.00 1.00 H new ATOM 0 HB3 SER A 2 40.954 -15.683 -4.185 1.00 1.00 H new ATOM 0 HG SER A 2 41.149 -14.876 -2.230 1.00 1.00 H new ATOM 25 N LYS A 3 37.542 -18.125 -3.992 1.00 1.00 N ATOM 26 CA LYS A 3 36.765 -19.255 -3.470 1.00 1.00 C ATOM 27 C LYS A 3 35.586 -18.781 -2.620 1.00 1.00 C ATOM 28 O LYS A 3 34.981 -19.564 -1.894 1.00 1.00 O ATOM 29 CB LYS A 3 37.669 -20.151 -2.616 1.00 1.00 C ATOM 30 CG LYS A 3 38.975 -20.452 -3.363 1.00 1.00 C ATOM 31 CD LYS A 3 38.680 -21.231 -4.648 1.00 1.00 C ATOM 32 CE LYS A 3 39.982 -21.823 -5.193 1.00 1.00 C ATOM 33 NZ LYS A 3 39.699 -22.566 -6.453 1.00 1.00 N ATOM 0 H LYS A 3 37.653 -18.119 -5.006 1.00 1.00 H new ATOM 0 HA LYS A 3 36.374 -19.812 -4.321 1.00 1.00 H new ATOM 0 HB2 LYS A 3 37.889 -19.660 -1.668 1.00 1.00 H new ATOM 0 HB3 LYS A 3 37.153 -21.082 -2.381 1.00 1.00 H new ATOM 0 HG2 LYS A 3 39.488 -19.521 -3.603 1.00 1.00 H new ATOM 0 HG3 LYS A 3 39.643 -21.029 -2.724 1.00 1.00 H new ATOM 0 HD2 LYS A 3 37.962 -22.026 -4.448 1.00 1.00 H new ATOM 0 HD3 LYS A 3 38.228 -20.573 -5.390 1.00 1.00 H new ATOM 0 HE2 LYS A 3 40.705 -21.029 -5.381 1.00 1.00 H new ATOM 0 HE3 LYS A 3 40.427 -22.491 -4.456 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 40.583 -22.969 -6.824 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 39.023 -23.333 -6.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 39.293 -21.916 -7.156 1.00 1.00 H new ATOM 47 N ASN A 4 35.258 -17.505 -2.726 1.00 1.00 N ATOM 48 CA ASN A 4 34.141 -16.935 -1.965 1.00 1.00 C ATOM 49 C ASN A 4 34.110 -17.489 -0.540 1.00 1.00 C ATOM 50 O ASN A 4 33.073 -17.468 0.122 1.00 1.00 O ATOM 51 CB ASN A 4 32.814 -17.249 -2.663 1.00 1.00 C ATOM 52 CG ASN A 4 32.740 -18.735 -2.988 1.00 1.00 C ATOM 53 OD1 ASN A 4 33.342 -19.191 -4.051 1.00 1.00 O flip ATOM 54 ND2 ASN A 4 32.119 -19.503 -2.253 1.00 1.00 N flip ATOM 0 H ASN A 4 35.743 -16.839 -3.328 1.00 1.00 H new ATOM 0 HA ASN A 4 34.282 -15.855 -1.917 1.00 1.00 H new ATOM 0 HB2 ASN A 4 31.979 -16.966 -2.022 1.00 1.00 H new ATOM 0 HB3 ASN A 4 32.726 -16.663 -3.578 1.00 1.00 H new ATOM 0 HD21 ASN A 4 31.649 -19.145 -1.422 1.00 1.00 H new ATOM 0 HD22 ASN A 4 32.075 -20.498 -2.475 1.00 1.00 H new ATOM 61 N ARG A 5 35.254 -17.985 -0.073 1.00 1.00 N ATOM 62 CA ARG A 5 35.346 -18.541 1.277 1.00 1.00 C ATOM 63 C ARG A 5 35.532 -17.423 2.306 1.00 1.00 C ATOM 64 O ARG A 5 34.653 -17.177 3.133 1.00 1.00 O ATOM 65 CB ARG A 5 36.526 -19.531 1.347 1.00 1.00 C ATOM 66 CG ARG A 5 36.108 -20.913 0.801 1.00 1.00 C ATOM 67 CD ARG A 5 35.480 -21.752 1.919 1.00 1.00 C ATOM 68 NE ARG A 5 36.480 -22.063 2.933 1.00 1.00 N ATOM 69 CZ ARG A 5 36.137 -22.622 4.090 1.00 1.00 C ATOM 70 NH1 ARG A 5 34.885 -22.899 4.335 1.00 1.00 N ATOM 71 NH2 ARG A 5 37.051 -22.891 4.981 1.00 1.00 N ATOM 0 H ARG A 5 36.124 -18.014 -0.604 1.00 1.00 H new ATOM 0 HA ARG A 5 34.420 -19.067 1.508 1.00 1.00 H new ATOM 0 HB2 ARG A 5 37.366 -19.145 0.770 1.00 1.00 H new ATOM 0 HB3 ARG A 5 36.865 -19.629 2.378 1.00 1.00 H new ATOM 0 HG2 ARG A 5 35.397 -20.790 -0.016 1.00 1.00 H new ATOM 0 HG3 ARG A 5 36.977 -21.429 0.392 1.00 1.00 H new ATOM 0 HD2 ARG A 5 34.650 -21.208 2.370 1.00 1.00 H new ATOM 0 HD3 ARG A 5 35.070 -22.674 1.506 1.00 1.00 H new ATOM 0 HE ARG A 5 37.461 -21.848 2.752 1.00 1.00 H new ATOM 0 HH11 ARG A 5 34.170 -22.687 3.639 1.00 1.00 H new ATOM 0 HH12 ARG A 5 34.622 -23.328 5.222 1.00 1.00 H new ATOM 0 HH21 ARG A 5 38.029 -22.673 4.790 1.00 1.00 H new ATOM 0 HH22 ARG A 5 36.788 -23.320 5.868 1.00 1.00 H new ATOM 85 N LYS A 6 36.677 -16.748 2.249 1.00 1.00 N ATOM 86 CA LYS A 6 36.965 -15.657 3.178 1.00 1.00 C ATOM 87 C LYS A 6 38.325 -15.036 2.876 1.00 1.00 C ATOM 88 O LYS A 6 39.308 -15.324 3.550 1.00 1.00 O ATOM 89 CB LYS A 6 36.954 -16.167 4.622 1.00 1.00 C ATOM 90 CG LYS A 6 37.690 -17.509 4.709 1.00 1.00 C ATOM 91 CD LYS A 6 37.846 -17.924 6.172 1.00 1.00 C ATOM 92 CE LYS A 6 38.600 -19.254 6.242 1.00 1.00 C ATOM 93 NZ LYS A 6 38.834 -19.623 7.666 1.00 1.00 N ATOM 0 H LYS A 6 37.418 -16.935 1.573 1.00 1.00 H new ATOM 0 HA LYS A 6 36.191 -14.900 3.055 1.00 1.00 H new ATOM 0 HB2 LYS A 6 37.431 -15.438 5.278 1.00 1.00 H new ATOM 0 HB3 LYS A 6 35.927 -16.283 4.968 1.00 1.00 H new ATOM 0 HG2 LYS A 6 37.137 -18.273 4.162 1.00 1.00 H new ATOM 0 HG3 LYS A 6 38.670 -17.427 4.239 1.00 1.00 H new ATOM 0 HD2 LYS A 6 38.388 -17.156 6.724 1.00 1.00 H new ATOM 0 HD3 LYS A 6 36.867 -18.023 6.641 1.00 1.00 H new ATOM 0 HE2 LYS A 6 38.026 -20.035 5.743 1.00 1.00 H new ATOM 0 HE3 LYS A 6 39.551 -19.172 5.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 39.346 -20.527 7.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 39.398 -18.882 8.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 37.921 -19.718 8.155 1.00 1.00 H new ATOM 107 N ALA A 7 38.366 -14.174 1.871 1.00 1.00 N ATOM 108 CA ALA A 7 39.617 -13.514 1.489 1.00 1.00 C ATOM 109 C ALA A 7 40.642 -14.544 1.003 1.00 1.00 C ATOM 110 O ALA A 7 41.052 -14.524 -0.156 1.00 1.00 O ATOM 111 CB ALA A 7 40.180 -12.728 2.685 1.00 1.00 C ATOM 0 H ALA A 7 37.558 -13.913 1.306 1.00 1.00 H new ATOM 0 HA ALA A 7 39.412 -12.822 0.673 1.00 1.00 H new ATOM 0 HB1 ALA A 7 41.110 -12.240 2.394 1.00 1.00 H new ATOM 0 HB2 ALA A 7 39.457 -11.975 2.998 1.00 1.00 H new ATOM 0 HB3 ALA A 7 40.372 -13.412 3.512 1.00 1.00 H new ATOM 117 N LYS A 8 41.052 -15.442 1.897 1.00 1.00 N ATOM 118 CA LYS A 8 42.028 -16.474 1.542 1.00 1.00 C ATOM 119 C LYS A 8 43.269 -15.845 0.930 1.00 1.00 C ATOM 120 O LYS A 8 43.533 -15.990 -0.264 1.00 1.00 O ATOM 121 CB LYS A 8 41.422 -17.456 0.540 1.00 1.00 C ATOM 122 CG LYS A 8 40.328 -18.314 1.199 1.00 1.00 C ATOM 123 CD LYS A 8 40.955 -19.491 1.966 1.00 1.00 C ATOM 124 CE LYS A 8 39.845 -20.351 2.580 1.00 1.00 C ATOM 125 NZ LYS A 8 40.454 -21.490 3.326 1.00 1.00 N ATOM 0 H LYS A 8 40.728 -15.478 2.864 1.00 1.00 H new ATOM 0 HA LYS A 8 42.303 -17.006 2.453 1.00 1.00 H new ATOM 0 HB2 LYS A 8 41.000 -16.907 -0.302 1.00 1.00 H new ATOM 0 HB3 LYS A 8 42.204 -18.102 0.140 1.00 1.00 H new ATOM 0 HG2 LYS A 8 39.738 -17.701 1.881 1.00 1.00 H new ATOM 0 HG3 LYS A 8 39.645 -18.691 0.438 1.00 1.00 H new ATOM 0 HD2 LYS A 8 41.566 -20.093 1.293 1.00 1.00 H new ATOM 0 HD3 LYS A 8 41.616 -19.118 2.749 1.00 1.00 H new ATOM 0 HE2 LYS A 8 39.233 -19.749 3.251 1.00 1.00 H new ATOM 0 HE3 LYS A 8 39.186 -20.726 1.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 39.701 -22.074 3.743 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 41.020 -22.069 2.674 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 41.066 -21.122 4.082 1.00 1.00 H new ATOM 139 N ALA A 9 44.029 -15.156 1.760 1.00 1.00 N ATOM 140 CA ALA A 9 45.254 -14.512 1.307 1.00 1.00 C ATOM 141 C ALA A 9 46.012 -13.922 2.490 1.00 1.00 C ATOM 142 O ALA A 9 46.972 -13.172 2.317 1.00 1.00 O ATOM 143 CB ALA A 9 44.934 -13.421 0.283 1.00 1.00 C ATOM 0 H ALA A 9 43.823 -15.026 2.750 1.00 1.00 H new ATOM 0 HA ALA A 9 45.885 -15.262 0.830 1.00 1.00 H new ATOM 0 HB1 ALA A 9 45.859 -12.949 -0.046 1.00 1.00 H new ATOM 0 HB2 ALA A 9 44.428 -13.864 -0.574 1.00 1.00 H new ATOM 0 HB3 ALA A 9 44.287 -12.672 0.739 1.00 1.00 H new ATOM 149 N LYS A 10 45.581 -14.285 3.699 1.00 1.00 N ATOM 150 CA LYS A 10 46.233 -13.806 4.925 1.00 1.00 C ATOM 151 C LYS A 10 47.224 -14.842 5.459 1.00 1.00 C ATOM 152 O LYS A 10 48.273 -14.479 5.991 1.00 1.00 O ATOM 153 CB LYS A 10 45.197 -13.481 6.021 1.00 1.00 C ATOM 154 CG LYS A 10 43.943 -12.863 5.395 1.00 1.00 C ATOM 155 CD LYS A 10 44.314 -11.568 4.657 1.00 1.00 C ATOM 156 CE LYS A 10 43.062 -10.710 4.454 1.00 1.00 C ATOM 157 NZ LYS A 10 43.427 -9.469 3.717 1.00 1.00 N ATOM 0 H LYS A 10 44.788 -14.906 3.858 1.00 1.00 H new ATOM 0 HA LYS A 10 46.771 -12.894 4.666 1.00 1.00 H new ATOM 0 HB2 LYS A 10 44.932 -14.389 6.563 1.00 1.00 H new ATOM 0 HB3 LYS A 10 45.628 -12.791 6.747 1.00 1.00 H new ATOM 0 HG2 LYS A 10 43.486 -13.569 4.702 1.00 1.00 H new ATOM 0 HG3 LYS A 10 43.205 -12.653 6.169 1.00 1.00 H new ATOM 0 HD2 LYS A 10 45.058 -11.013 5.229 1.00 1.00 H new ATOM 0 HD3 LYS A 10 44.764 -11.804 3.693 1.00 1.00 H new ATOM 0 HE2 LYS A 10 42.311 -11.269 3.897 1.00 1.00 H new ATOM 0 HE3 LYS A 10 42.621 -10.457 5.418 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 42.578 -8.885 3.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 44.130 -8.933 4.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 43.829 -9.720 2.791 1.00 1.00 H new ATOM 171 N PRO A 11 46.926 -16.115 5.336 1.00 1.00 N ATOM 172 CA PRO A 11 47.833 -17.193 5.830 1.00 1.00 C ATOM 173 C PRO A 11 49.228 -17.098 5.217 1.00 1.00 C ATOM 174 O PRO A 11 49.501 -17.657 4.154 1.00 1.00 O ATOM 175 CB PRO A 11 47.125 -18.490 5.417 1.00 1.00 C ATOM 176 CG PRO A 11 45.690 -18.113 5.243 1.00 1.00 C ATOM 177 CD PRO A 11 45.707 -16.677 4.727 1.00 1.00 C ATOM 0 HA PRO A 11 48.000 -17.127 6.905 1.00 1.00 H new ATOM 0 HB2 PRO A 11 47.542 -18.890 4.493 1.00 1.00 H new ATOM 0 HB3 PRO A 11 47.240 -19.261 6.178 1.00 1.00 H new ATOM 0 HG2 PRO A 11 45.192 -18.778 4.537 1.00 1.00 H new ATOM 0 HG3 PRO A 11 45.148 -18.185 6.186 1.00 1.00 H new ATOM 0 HD2 PRO A 11 45.747 -16.641 3.638 1.00 1.00 H new ATOM 0 HD3 PRO A 11 44.815 -16.129 5.031 1.00 1.00 H new ATOM 185 N VAL A 12 50.100 -16.387 5.904 1.00 1.00 N ATOM 186 CA VAL A 12 51.472 -16.218 5.438 1.00 1.00 C ATOM 187 C VAL A 12 52.215 -17.540 5.488 1.00 1.00 C ATOM 188 O VAL A 12 52.989 -17.874 4.592 1.00 1.00 O ATOM 189 CB VAL A 12 52.211 -15.175 6.281 1.00 1.00 C ATOM 190 CG1 VAL A 12 53.508 -14.775 5.573 1.00 1.00 C ATOM 191 CG2 VAL A 12 51.322 -13.942 6.455 1.00 1.00 C ATOM 0 H VAL A 12 49.889 -15.917 6.784 1.00 1.00 H new ATOM 0 HA VAL A 12 51.436 -15.868 4.406 1.00 1.00 H new ATOM 0 HB VAL A 12 52.446 -15.595 7.259 1.00 1.00 H new ATOM 0 HG11 VAL A 12 54.035 -14.032 6.172 1.00 1.00 H new ATOM 0 HG12 VAL A 12 54.140 -15.654 5.447 1.00 1.00 H new ATOM 0 HG13 VAL A 12 53.274 -14.353 4.596 1.00 1.00 H new ATOM 0 HG21 VAL A 12 51.846 -13.198 7.055 1.00 1.00 H new ATOM 0 HG22 VAL A 12 51.088 -13.521 5.477 1.00 1.00 H new ATOM 0 HG23 VAL A 12 50.398 -14.228 6.957 1.00 1.00 H new ATOM 201 N THR A 13 51.971 -18.277 6.550 1.00 1.00 N ATOM 202 CA THR A 13 52.614 -19.564 6.744 1.00 1.00 C ATOM 203 C THR A 13 52.245 -20.501 5.605 1.00 1.00 C ATOM 204 O THR A 13 52.928 -21.497 5.361 1.00 1.00 O ATOM 205 CB THR A 13 52.170 -20.178 8.075 1.00 1.00 C ATOM 206 OG1 THR A 13 52.345 -19.227 9.114 1.00 1.00 O ATOM 207 CG2 THR A 13 53.021 -21.413 8.372 1.00 1.00 C ATOM 0 H THR A 13 51.330 -18.008 7.296 1.00 1.00 H new ATOM 0 HA THR A 13 53.694 -19.419 6.759 1.00 1.00 H new ATOM 0 HB THR A 13 51.120 -20.463 8.013 1.00 1.00 H new ATOM 0 HG1 THR A 13 52.060 -19.618 9.966 1.00 1.00 H new ATOM 0 HG21 THR A 13 52.707 -21.852 9.319 1.00 1.00 H new ATOM 0 HG22 THR A 13 52.893 -22.144 7.573 1.00 1.00 H new ATOM 0 HG23 THR A 13 54.070 -21.125 8.436 1.00 1.00 H new ATOM 215 N ARG A 14 51.153 -20.178 4.909 1.00 1.00 N ATOM 216 CA ARG A 14 50.703 -21.022 3.788 1.00 1.00 C ATOM 217 C ARG A 14 51.445 -20.643 2.498 1.00 1.00 C ATOM 218 O ARG A 14 51.141 -21.154 1.420 1.00 1.00 O ATOM 219 CB ARG A 14 49.178 -20.892 3.588 1.00 1.00 C ATOM 220 CG ARG A 14 48.636 -22.099 2.807 1.00 1.00 C ATOM 221 CD ARG A 14 47.164 -21.862 2.461 1.00 1.00 C ATOM 222 NE ARG A 14 46.359 -21.798 3.678 1.00 1.00 N ATOM 223 CZ ARG A 14 45.912 -22.903 4.270 1.00 1.00 C ATOM 224 NH1 ARG A 14 46.182 -24.073 3.760 1.00 1.00 N ATOM 225 NH2 ARG A 14 45.200 -22.815 5.361 1.00 1.00 N ATOM 0 H ARG A 14 50.572 -19.359 5.091 1.00 1.00 H new ATOM 0 HA ARG A 14 50.932 -22.060 4.028 1.00 1.00 H new ATOM 0 HB2 ARG A 14 48.682 -20.825 4.556 1.00 1.00 H new ATOM 0 HB3 ARG A 14 48.952 -19.971 3.050 1.00 1.00 H new ATOM 0 HG2 ARG A 14 49.216 -22.247 1.896 1.00 1.00 H new ATOM 0 HG3 ARG A 14 48.740 -23.007 3.401 1.00 1.00 H new ATOM 0 HD2 ARG A 14 47.061 -20.933 1.900 1.00 1.00 H new ATOM 0 HD3 ARG A 14 46.801 -22.665 1.819 1.00 1.00 H new ATOM 0 HE ARG A 14 46.135 -20.889 4.082 1.00 1.00 H new ATOM 0 HH11 ARG A 14 46.736 -24.142 2.907 1.00 1.00 H new ATOM 0 HH12 ARG A 14 45.839 -24.919 4.215 1.00 1.00 H new ATOM 0 HH21 ARG A 14 44.987 -21.900 5.759 1.00 1.00 H new ATOM 0 HH22 ARG A 14 44.857 -23.661 5.816 1.00 1.00 H new ATOM 239 N GLY A 15 52.433 -19.755 2.611 1.00 1.00 N ATOM 240 CA GLY A 15 53.206 -19.343 1.438 1.00 1.00 C ATOM 241 C GLY A 15 52.292 -19.072 0.247 1.00 1.00 C ATOM 242 O GLY A 15 52.661 -19.348 -0.890 1.00 1.00 O ATOM 0 H GLY A 15 52.714 -19.313 3.486 1.00 1.00 H new ATOM 0 HA2 GLY A 15 53.779 -18.446 1.673 1.00 1.00 H new ATOM 0 HA3 GLY A 15 53.924 -20.121 1.180 1.00 1.00 H new ATOM 246 N THR A 16 51.101 -18.539 0.524 1.00 1.00 N ATOM 247 CA THR A 16 50.128 -18.230 -0.522 1.00 1.00 C ATOM 248 C THR A 16 50.788 -17.475 -1.673 1.00 1.00 C ATOM 249 O THR A 16 50.676 -16.254 -1.772 1.00 1.00 O ATOM 250 CB THR A 16 48.996 -17.379 0.060 1.00 1.00 C ATOM 251 OG1 THR A 16 48.487 -18.010 1.227 1.00 1.00 O ATOM 252 CG2 THR A 16 47.876 -17.230 -0.974 1.00 1.00 C ATOM 0 H THR A 16 50.787 -18.312 1.468 1.00 1.00 H new ATOM 0 HA THR A 16 49.727 -19.169 -0.904 1.00 1.00 H new ATOM 0 HB THR A 16 49.379 -16.391 0.316 1.00 1.00 H new ATOM 0 HG1 THR A 16 48.967 -17.678 2.014 1.00 1.00 H new ATOM 0 HG21 THR A 16 47.073 -16.624 -0.555 1.00 1.00 H new ATOM 0 HG22 THR A 16 48.268 -16.745 -1.868 1.00 1.00 H new ATOM 0 HG23 THR A 16 47.489 -18.215 -1.235 1.00 1.00 H new ATOM 260 N GLY A 17 51.475 -18.211 -2.536 1.00 1.00 N ATOM 261 CA GLY A 17 52.153 -17.596 -3.679 1.00 1.00 C ATOM 262 C GLY A 17 51.132 -17.018 -4.646 1.00 1.00 C ATOM 263 O GLY A 17 50.956 -15.802 -4.719 1.00 1.00 O ATOM 0 H GLY A 17 51.580 -19.224 -2.472 1.00 1.00 H new ATOM 0 HA2 GLY A 17 52.823 -16.809 -3.333 1.00 1.00 H new ATOM 0 HA3 GLY A 17 52.768 -18.338 -4.189 1.00 1.00 H new ATOM 267 N ALA A 18 50.462 -17.902 -5.386 1.00 1.00 N ATOM 268 CA ALA A 18 49.443 -17.484 -6.354 1.00 1.00 C ATOM 269 C ALA A 18 50.102 -17.133 -7.686 1.00 1.00 C ATOM 270 O ALA A 18 49.746 -16.143 -8.326 1.00 1.00 O ATOM 271 CB ALA A 18 48.652 -16.273 -5.824 1.00 1.00 C ATOM 0 H ALA A 18 50.605 -18.911 -5.335 1.00 1.00 H new ATOM 0 HA ALA A 18 48.749 -18.311 -6.503 1.00 1.00 H new ATOM 0 HB1 ALA A 18 47.901 -15.979 -6.558 1.00 1.00 H new ATOM 0 HB2 ALA A 18 48.160 -16.541 -4.889 1.00 1.00 H new ATOM 0 HB3 ALA A 18 49.334 -15.441 -5.650 1.00 1.00 H new ATOM 277 N GLY A 19 51.071 -17.946 -8.091 1.00 1.00 N ATOM 278 CA GLY A 19 51.783 -17.699 -9.348 1.00 1.00 C ATOM 279 C GLY A 19 50.838 -17.812 -10.540 1.00 1.00 C ATOM 280 O GLY A 19 50.863 -16.979 -11.445 1.00 1.00 O ATOM 0 H GLY A 19 51.381 -18.772 -7.579 1.00 1.00 H new ATOM 0 HA2 GLY A 19 52.232 -16.706 -9.327 1.00 1.00 H new ATOM 0 HA3 GLY A 19 52.598 -18.415 -9.456 1.00 1.00 H new ATOM 284 N SER A 20 50.010 -18.853 -10.533 1.00 1.00 N ATOM 285 CA SER A 20 49.056 -19.075 -11.622 1.00 1.00 C ATOM 286 C SER A 20 47.736 -18.360 -11.338 1.00 1.00 C ATOM 287 O SER A 20 46.808 -18.399 -12.142 1.00 1.00 O ATOM 288 CB SER A 20 48.805 -20.570 -11.795 1.00 1.00 C ATOM 289 OG SER A 20 47.967 -21.031 -10.746 1.00 1.00 O ATOM 0 H SER A 20 49.978 -19.553 -9.792 1.00 1.00 H new ATOM 0 HA SER A 20 49.480 -18.669 -12.540 1.00 1.00 H new ATOM 0 HB2 SER A 20 48.337 -20.762 -12.760 1.00 1.00 H new ATOM 0 HB3 SER A 20 49.750 -21.112 -11.785 1.00 1.00 H new ATOM 0 HG SER A 20 47.803 -21.991 -10.856 1.00 1.00 H new ATOM 295 N ARG A 21 47.676 -17.708 -10.185 1.00 1.00 N ATOM 296 CA ARG A 21 46.478 -16.961 -9.752 1.00 1.00 C ATOM 297 C ARG A 21 45.403 -17.932 -9.228 1.00 1.00 C ATOM 298 O ARG A 21 45.350 -19.088 -9.646 1.00 1.00 O ATOM 299 CB ARG A 21 45.935 -16.072 -10.916 1.00 1.00 C ATOM 300 CG ARG A 21 44.580 -16.586 -11.443 1.00 1.00 C ATOM 301 CD ARG A 21 44.150 -15.823 -12.712 1.00 1.00 C ATOM 302 NE ARG A 21 43.982 -16.762 -13.816 1.00 1.00 N ATOM 303 CZ ARG A 21 43.640 -16.343 -15.031 1.00 1.00 C ATOM 304 NH1 ARG A 21 43.441 -15.075 -15.256 1.00 1.00 N ATOM 305 NH2 ARG A 21 43.502 -17.199 -16.006 1.00 1.00 N ATOM 0 H ARG A 21 48.447 -17.675 -9.518 1.00 1.00 H new ATOM 0 HA ARG A 21 46.753 -16.296 -8.933 1.00 1.00 H new ATOM 0 HB2 ARG A 21 45.824 -15.045 -10.568 1.00 1.00 H new ATOM 0 HB3 ARG A 21 46.660 -16.056 -11.730 1.00 1.00 H new ATOM 0 HG2 ARG A 21 44.653 -17.651 -11.663 1.00 1.00 H new ATOM 0 HG3 ARG A 21 43.819 -16.471 -10.671 1.00 1.00 H new ATOM 0 HD2 ARG A 21 43.217 -15.291 -12.529 1.00 1.00 H new ATOM 0 HD3 ARG A 21 44.899 -15.074 -12.969 1.00 1.00 H new ATOM 0 HE ARG A 21 44.130 -17.758 -13.653 1.00 1.00 H new ATOM 0 HH11 ARG A 21 43.547 -14.400 -14.499 1.00 1.00 H new ATOM 0 HH12 ARG A 21 43.179 -14.758 -16.189 1.00 1.00 H new ATOM 0 HH21 ARG A 21 43.656 -18.193 -15.838 1.00 1.00 H new ATOM 0 HH22 ARG A 21 43.240 -16.874 -16.937 1.00 1.00 H new ATOM 319 N PRO A 22 44.552 -17.487 -8.330 1.00 1.00 N ATOM 320 CA PRO A 22 43.477 -18.354 -7.749 1.00 1.00 C ATOM 321 C PRO A 22 42.393 -18.728 -8.762 1.00 1.00 C ATOM 322 O PRO A 22 41.849 -19.833 -8.725 1.00 1.00 O ATOM 323 CB PRO A 22 42.905 -17.497 -6.606 1.00 1.00 C ATOM 324 CG PRO A 22 43.189 -16.083 -7.004 1.00 1.00 C ATOM 325 CD PRO A 22 44.512 -16.121 -7.775 1.00 1.00 C ATOM 0 HA PRO A 22 43.868 -19.316 -7.418 1.00 1.00 H new ATOM 0 HB2 PRO A 22 41.835 -17.665 -6.484 1.00 1.00 H new ATOM 0 HB3 PRO A 22 43.377 -17.742 -5.655 1.00 1.00 H new ATOM 0 HG2 PRO A 22 42.387 -15.683 -7.624 1.00 1.00 H new ATOM 0 HG3 PRO A 22 43.266 -15.439 -6.128 1.00 1.00 H new ATOM 0 HD2 PRO A 22 44.539 -15.368 -8.562 1.00 1.00 H new ATOM 0 HD3 PRO A 22 45.363 -15.929 -7.121 1.00 1.00 H new ATOM 333 N ARG A 23 42.089 -17.796 -9.649 1.00 1.00 N ATOM 334 CA ARG A 23 41.058 -18.005 -10.682 1.00 1.00 C ATOM 335 C ARG A 23 39.911 -18.892 -10.182 1.00 1.00 C ATOM 336 O ARG A 23 39.870 -20.088 -10.451 1.00 1.00 O ATOM 337 CB ARG A 23 41.659 -18.628 -11.955 1.00 1.00 C ATOM 338 CG ARG A 23 42.536 -19.843 -11.624 1.00 1.00 C ATOM 339 CD ARG A 23 42.862 -20.586 -12.920 1.00 1.00 C ATOM 340 NE ARG A 23 43.639 -19.732 -13.815 1.00 1.00 N ATOM 341 CZ ARG A 23 44.964 -19.673 -13.737 1.00 1.00 C ATOM 342 NH1 ARG A 23 45.596 -20.384 -12.844 1.00 1.00 N ATOM 343 NH2 ARG A 23 45.634 -18.906 -14.553 1.00 1.00 N ATOM 0 H ARG A 23 42.537 -16.880 -9.684 1.00 1.00 H new ATOM 0 HA ARG A 23 40.657 -17.019 -10.916 1.00 1.00 H new ATOM 0 HB2 ARG A 23 40.856 -18.929 -12.628 1.00 1.00 H new ATOM 0 HB3 ARG A 23 42.253 -17.881 -12.482 1.00 1.00 H new ATOM 0 HG2 ARG A 23 43.454 -19.522 -11.132 1.00 1.00 H new ATOM 0 HG3 ARG A 23 42.017 -20.505 -10.930 1.00 1.00 H new ATOM 0 HD2 ARG A 23 43.423 -21.493 -12.695 1.00 1.00 H new ATOM 0 HD3 ARG A 23 41.939 -20.895 -13.412 1.00 1.00 H new ATOM 0 HE ARG A 23 43.154 -19.169 -14.514 1.00 1.00 H new ATOM 0 HH11 ARG A 23 45.073 -20.984 -12.207 1.00 1.00 H new ATOM 0 HH12 ARG A 23 46.613 -20.339 -12.783 1.00 1.00 H new ATOM 0 HH21 ARG A 23 45.140 -18.351 -15.252 1.00 1.00 H new ATOM 0 HH22 ARG A 23 46.651 -18.862 -14.492 1.00 1.00 H new ATOM 357 N GLY A 24 38.962 -18.300 -9.468 1.00 1.00 N ATOM 358 CA GLY A 24 37.826 -19.058 -8.966 1.00 1.00 C ATOM 359 C GLY A 24 36.588 -18.180 -8.890 1.00 1.00 C ATOM 360 O GLY A 24 36.385 -17.301 -9.728 1.00 1.00 O ATOM 0 H GLY A 24 38.956 -17.309 -9.226 1.00 1.00 H new ATOM 0 HA2 GLY A 24 37.634 -19.910 -9.618 1.00 1.00 H new ATOM 0 HA3 GLY A 24 38.056 -19.457 -7.978 1.00 1.00 H new ATOM 364 N GLN A 25 35.773 -18.434 -7.870 1.00 1.00 N ATOM 365 CA GLN A 25 34.529 -17.683 -7.642 1.00 1.00 C ATOM 366 C GLN A 25 33.942 -17.172 -8.955 1.00 1.00 C ATOM 367 O GLN A 25 33.819 -15.967 -9.171 1.00 1.00 O ATOM 368 CB GLN A 25 34.804 -16.508 -6.702 1.00 1.00 C ATOM 369 CG GLN A 25 36.102 -15.811 -7.112 1.00 1.00 C ATOM 370 CD GLN A 25 36.303 -14.552 -6.277 1.00 1.00 C ATOM 371 OE1 GLN A 25 36.165 -14.612 -4.982 1.00 1.00 O flip ATOM 372 NE2 GLN A 25 36.593 -13.485 -6.819 1.00 1.00 N flip ATOM 0 H GLN A 25 35.950 -19.162 -7.177 1.00 1.00 H new ATOM 0 HA GLN A 25 33.802 -18.355 -7.187 1.00 1.00 H new ATOM 0 HB2 GLN A 25 33.975 -15.802 -6.735 1.00 1.00 H new ATOM 0 HB3 GLN A 25 34.880 -16.862 -5.674 1.00 1.00 H new ATOM 0 HG2 GLN A 25 36.946 -16.487 -6.975 1.00 1.00 H new ATOM 0 HG3 GLN A 25 36.068 -15.554 -8.171 1.00 1.00 H new ATOM 0 HE21 GLN A 25 36.700 -13.440 -7.832 1.00 1.00 H new ATOM 0 HE22 GLN A 25 36.726 -12.646 -6.255 1.00 1.00 H new ATOM 381 N ASN A 26 33.584 -18.112 -9.827 1.00 1.00 N ATOM 382 CA ASN A 26 33.008 -17.771 -11.140 1.00 1.00 C ATOM 383 C ASN A 26 31.526 -18.121 -11.190 1.00 1.00 C ATOM 384 O ASN A 26 30.965 -18.312 -12.269 1.00 1.00 O ATOM 385 CB ASN A 26 33.740 -18.519 -12.267 1.00 1.00 C ATOM 386 CG ASN A 26 33.427 -17.865 -13.609 1.00 1.00 C ATOM 387 OD1 ASN A 26 32.966 -18.532 -14.535 1.00 1.00 O ATOM 388 ND2 ASN A 26 33.651 -16.589 -13.768 1.00 1.00 N ATOM 0 H ASN A 26 33.679 -19.113 -9.656 1.00 1.00 H new ATOM 0 HA ASN A 26 33.128 -16.697 -11.282 1.00 1.00 H new ATOM 0 HB2 ASN A 26 34.815 -18.505 -12.087 1.00 1.00 H new ATOM 0 HB3 ASN A 26 33.433 -19.565 -12.281 1.00 1.00 H new ATOM 0 HD21 ASN A 26 33.444 -16.142 -14.661 1.00 1.00 H new ATOM 0 HD22 ASN A 26 34.033 -16.039 -12.999 1.00 1.00 H new ATOM 395 N LYS A 27 30.896 -18.207 -10.019 1.00 1.00 N ATOM 396 CA LYS A 27 29.470 -18.538 -9.935 1.00 1.00 C ATOM 397 C LYS A 27 28.683 -17.420 -9.259 1.00 1.00 C ATOM 398 O LYS A 27 27.481 -17.564 -9.052 1.00 1.00 O ATOM 399 CB LYS A 27 29.276 -19.852 -9.162 1.00 1.00 C ATOM 400 CG LYS A 27 30.268 -19.935 -7.998 1.00 1.00 C ATOM 401 CD LYS A 27 30.055 -18.755 -7.043 1.00 1.00 C ATOM 402 CE LYS A 27 30.721 -19.059 -5.701 1.00 1.00 C ATOM 403 NZ LYS A 27 30.526 -17.908 -4.774 1.00 1.00 N ATOM 0 H LYS A 27 31.347 -18.053 -9.117 1.00 1.00 H new ATOM 0 HA LYS A 27 29.093 -18.657 -10.951 1.00 1.00 H new ATOM 0 HB2 LYS A 27 28.255 -19.912 -8.784 1.00 1.00 H new ATOM 0 HB3 LYS A 27 29.419 -20.700 -9.832 1.00 1.00 H new ATOM 0 HG2 LYS A 27 30.136 -20.875 -7.463 1.00 1.00 H new ATOM 0 HG3 LYS A 27 31.289 -19.926 -8.378 1.00 1.00 H new ATOM 0 HD2 LYS A 27 30.476 -17.846 -7.472 1.00 1.00 H new ATOM 0 HD3 LYS A 27 28.989 -18.577 -6.900 1.00 1.00 H new ATOM 0 HE2 LYS A 27 30.294 -19.964 -5.268 1.00 1.00 H new ATOM 0 HE3 LYS A 27 31.785 -19.246 -5.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 30.394 -18.261 -3.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 31.362 -17.290 -4.807 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 29.685 -17.368 -5.063 1.00 1.00 H new ATOM 417 N GLU A 28 29.368 -16.315 -8.919 1.00 1.00 N ATOM 418 CA GLU A 28 28.736 -15.154 -8.259 1.00 1.00 C ATOM 419 C GLU A 28 27.225 -15.156 -8.434 1.00 1.00 C ATOM 420 O GLU A 28 26.714 -15.133 -9.554 1.00 1.00 O ATOM 421 CB GLU A 28 29.314 -13.847 -8.813 1.00 1.00 C ATOM 422 CG GLU A 28 30.749 -13.668 -8.310 1.00 1.00 C ATOM 423 CD GLU A 28 31.403 -12.481 -9.011 1.00 1.00 C ATOM 424 OE1 GLU A 28 30.754 -11.886 -9.855 1.00 1.00 O ATOM 425 OE2 GLU A 28 32.545 -12.190 -8.697 1.00 1.00 O ATOM 0 H GLU A 28 30.367 -16.199 -9.091 1.00 1.00 H new ATOM 0 HA GLU A 28 28.954 -15.230 -7.194 1.00 1.00 H new ATOM 0 HB2 GLU A 28 29.299 -13.864 -9.903 1.00 1.00 H new ATOM 0 HB3 GLU A 28 28.700 -13.003 -8.499 1.00 1.00 H new ATOM 0 HG2 GLU A 28 30.748 -13.509 -7.232 1.00 1.00 H new ATOM 0 HG3 GLU A 28 31.325 -14.574 -8.498 1.00 1.00 H new ATOM 432 N ARG A 29 26.520 -15.208 -7.316 1.00 1.00 N ATOM 433 CA ARG A 29 25.066 -15.241 -7.338 1.00 1.00 C ATOM 434 C ARG A 29 24.483 -14.827 -5.981 1.00 1.00 C ATOM 435 O ARG A 29 23.495 -14.093 -5.926 1.00 1.00 O ATOM 436 CB ARG A 29 24.596 -16.670 -7.711 1.00 1.00 C ATOM 437 CG ARG A 29 23.656 -16.633 -8.921 1.00 1.00 C ATOM 438 CD ARG A 29 23.191 -18.052 -9.236 1.00 1.00 C ATOM 439 NE ARG A 29 22.488 -18.615 -8.089 1.00 1.00 N ATOM 440 CZ ARG A 29 22.125 -19.892 -8.065 1.00 1.00 C ATOM 441 NH1 ARG A 29 22.405 -20.668 -9.076 1.00 1.00 N ATOM 442 NH2 ARG A 29 21.491 -20.371 -7.030 1.00 1.00 N ATOM 0 H ARG A 29 26.930 -15.228 -6.382 1.00 1.00 H new ATOM 0 HA ARG A 29 24.709 -14.530 -8.083 1.00 1.00 H new ATOM 0 HB2 ARG A 29 25.460 -17.296 -7.935 1.00 1.00 H new ATOM 0 HB3 ARG A 29 24.085 -17.124 -6.861 1.00 1.00 H new ATOM 0 HG2 ARG A 29 22.798 -15.994 -8.711 1.00 1.00 H new ATOM 0 HG3 ARG A 29 24.169 -16.205 -9.783 1.00 1.00 H new ATOM 0 HD2 ARG A 29 22.535 -18.043 -10.106 1.00 1.00 H new ATOM 0 HD3 ARG A 29 24.048 -18.676 -9.489 1.00 1.00 H new ATOM 0 HE ARG A 29 22.271 -18.017 -7.291 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.902 -20.294 -9.884 1.00 1.00 H new ATOM 0 HH12 ARG A 29 22.127 -21.649 -9.058 1.00 1.00 H new ATOM 0 HH21 ARG A 29 21.274 -19.764 -6.239 1.00 1.00 H new ATOM 0 HH22 ARG A 29 21.212 -21.352 -7.012 1.00 1.00 H new ATOM 456 N PRO A 30 25.054 -15.292 -4.893 1.00 1.00 N ATOM 457 CA PRO A 30 24.558 -14.961 -3.531 1.00 1.00 C ATOM 458 C PRO A 30 25.202 -13.676 -2.986 1.00 1.00 C ATOM 459 O PRO A 30 26.217 -13.765 -2.296 1.00 1.00 O ATOM 460 CB PRO A 30 24.980 -16.191 -2.696 1.00 1.00 C ATOM 461 CG PRO A 30 26.115 -16.855 -3.449 1.00 1.00 C ATOM 462 CD PRO A 30 26.227 -16.175 -4.828 1.00 1.00 C ATOM 0 HA PRO A 30 23.485 -14.770 -3.509 1.00 1.00 H new ATOM 0 HB2 PRO A 30 25.300 -15.891 -1.698 1.00 1.00 H new ATOM 0 HB3 PRO A 30 24.144 -16.879 -2.569 1.00 1.00 H new ATOM 0 HG2 PRO A 30 27.050 -16.755 -2.897 1.00 1.00 H new ATOM 0 HG3 PRO A 30 25.925 -17.922 -3.564 1.00 1.00 H new ATOM 0 HD2 PRO A 30 27.155 -15.611 -4.919 1.00 1.00 H new ATOM 0 HD3 PRO A 30 26.219 -16.908 -5.635 1.00 1.00 H new ATOM 470 N PRO A 31 24.663 -12.487 -3.247 1.00 1.00 N ATOM 471 CA PRO A 31 25.263 -11.223 -2.728 1.00 1.00 C ATOM 472 C PRO A 31 25.835 -11.370 -1.308 1.00 1.00 C ATOM 473 O PRO A 31 27.005 -11.042 -1.094 1.00 1.00 O ATOM 474 CB PRO A 31 24.121 -10.179 -2.805 1.00 1.00 C ATOM 475 CG PRO A 31 22.925 -10.911 -3.356 1.00 1.00 C ATOM 476 CD PRO A 31 23.457 -12.172 -4.040 1.00 1.00 C ATOM 0 HA PRO A 31 26.127 -10.921 -3.320 1.00 1.00 H new ATOM 0 HB2 PRO A 31 23.905 -9.764 -1.821 1.00 1.00 H new ATOM 0 HB3 PRO A 31 24.398 -9.344 -3.449 1.00 1.00 H new ATOM 0 HG2 PRO A 31 22.228 -11.168 -2.559 1.00 1.00 H new ATOM 0 HG3 PRO A 31 22.382 -10.286 -4.065 1.00 1.00 H new ATOM 0 HD2 PRO A 31 22.731 -12.984 -4.013 1.00 1.00 H new ATOM 0 HD3 PRO A 31 23.697 -11.994 -5.088 1.00 1.00 H new ATOM 484 N PRO A 32 25.072 -11.855 -0.340 1.00 1.00 N ATOM 485 CA PRO A 32 25.577 -12.038 1.049 1.00 1.00 C ATOM 486 C PRO A 32 27.058 -12.411 1.073 1.00 1.00 C ATOM 487 O PRO A 32 27.540 -13.130 0.197 1.00 1.00 O ATOM 488 CB PRO A 32 24.711 -13.186 1.604 1.00 1.00 C ATOM 489 CG PRO A 32 23.448 -13.202 0.772 1.00 1.00 C ATOM 490 CD PRO A 32 23.657 -12.258 -0.432 1.00 1.00 C ATOM 0 HA PRO A 32 25.504 -11.123 1.637 1.00 1.00 H new ATOM 0 HB2 PRO A 32 25.236 -14.139 1.533 1.00 1.00 H new ATOM 0 HB3 PRO A 32 24.481 -13.026 2.657 1.00 1.00 H new ATOM 0 HG2 PRO A 32 23.230 -14.214 0.430 1.00 1.00 H new ATOM 0 HG3 PRO A 32 22.595 -12.877 1.368 1.00 1.00 H new ATOM 0 HD2 PRO A 32 23.448 -12.764 -1.375 1.00 1.00 H new ATOM 0 HD3 PRO A 32 22.994 -11.395 -0.380 1.00 1.00 H new ATOM 498 N VAL A 33 27.771 -11.915 2.081 1.00 1.00 N ATOM 499 CA VAL A 33 29.204 -12.196 2.225 1.00 1.00 C ATOM 500 C VAL A 33 29.457 -13.008 3.509 1.00 1.00 C ATOM 501 O VAL A 33 28.963 -12.636 4.572 1.00 1.00 O ATOM 502 CB VAL A 33 29.996 -10.884 2.307 1.00 1.00 C ATOM 503 CG1 VAL A 33 31.495 -11.186 2.244 1.00 1.00 C ATOM 504 CG2 VAL A 33 29.614 -9.981 1.131 1.00 1.00 C ATOM 0 H VAL A 33 27.384 -11.317 2.811 1.00 1.00 H new ATOM 0 HA VAL A 33 29.530 -12.768 1.356 1.00 1.00 H new ATOM 0 HB VAL A 33 29.763 -10.381 3.246 1.00 1.00 H new ATOM 0 HG11 VAL A 33 32.057 -10.254 2.302 1.00 1.00 H new ATOM 0 HG12 VAL A 33 31.772 -11.829 3.079 1.00 1.00 H new ATOM 0 HG13 VAL A 33 31.725 -11.690 1.306 1.00 1.00 H new ATOM 0 HG21 VAL A 33 30.177 -9.049 1.190 1.00 1.00 H new ATOM 0 HG22 VAL A 33 29.846 -10.487 0.194 1.00 1.00 H new ATOM 0 HG23 VAL A 33 28.547 -9.763 1.171 1.00 1.00 H new ATOM 514 N PRO A 34 30.218 -14.087 3.455 1.00 1.00 N ATOM 515 CA PRO A 34 30.514 -14.903 4.671 1.00 1.00 C ATOM 516 C PRO A 34 30.948 -14.053 5.867 1.00 1.00 C ATOM 517 O PRO A 34 31.711 -13.097 5.730 1.00 1.00 O ATOM 518 CB PRO A 34 31.668 -15.824 4.231 1.00 1.00 C ATOM 519 CG PRO A 34 31.564 -15.926 2.741 1.00 1.00 C ATOM 520 CD PRO A 34 30.851 -14.659 2.250 1.00 1.00 C ATOM 0 HA PRO A 34 29.627 -15.439 5.009 1.00 1.00 H new ATOM 0 HB2 PRO A 34 32.632 -15.412 4.528 1.00 1.00 H new ATOM 0 HB3 PRO A 34 31.584 -16.806 4.697 1.00 1.00 H new ATOM 0 HG2 PRO A 34 32.553 -16.010 2.291 1.00 1.00 H new ATOM 0 HG3 PRO A 34 31.006 -16.817 2.454 1.00 1.00 H new ATOM 0 HD2 PRO A 34 31.555 -13.957 1.803 1.00 1.00 H new ATOM 0 HD3 PRO A 34 30.108 -14.894 1.488 1.00 1.00 H new ATOM 528 N ASN A 35 30.460 -14.435 7.045 1.00 1.00 N ATOM 529 CA ASN A 35 30.795 -13.741 8.284 1.00 1.00 C ATOM 530 C ASN A 35 32.104 -14.296 8.876 1.00 1.00 C ATOM 531 O ASN A 35 32.885 -13.543 9.455 1.00 1.00 O ATOM 532 CB ASN A 35 29.642 -13.899 9.307 1.00 1.00 C ATOM 533 CG ASN A 35 28.746 -12.657 9.321 1.00 1.00 C ATOM 534 OD1 ASN A 35 29.240 -11.537 9.461 1.00 1.00 O ATOM 535 ND2 ASN A 35 27.456 -12.790 9.187 1.00 1.00 N ATOM 0 H ASN A 35 29.828 -15.226 7.167 1.00 1.00 H new ATOM 0 HA ASN A 35 30.935 -12.683 8.063 1.00 1.00 H new ATOM 0 HB2 ASN A 35 29.047 -14.778 9.057 1.00 1.00 H new ATOM 0 HB3 ASN A 35 30.054 -14.065 10.302 1.00 1.00 H new ATOM 0 HD21 ASN A 35 26.855 -11.966 9.198 1.00 1.00 H new ATOM 0 HD22 ASN A 35 27.048 -13.718 9.071 1.00 1.00 H new ATOM 542 N PRO A 36 32.359 -15.583 8.756 1.00 1.00 N ATOM 543 CA PRO A 36 33.600 -16.198 9.314 1.00 1.00 C ATOM 544 C PRO A 36 34.863 -15.475 8.851 1.00 1.00 C ATOM 545 O PRO A 36 35.956 -15.734 9.353 1.00 1.00 O ATOM 546 CB PRO A 36 33.557 -17.651 8.812 1.00 1.00 C ATOM 547 CG PRO A 36 32.110 -17.922 8.552 1.00 1.00 C ATOM 548 CD PRO A 36 31.514 -16.591 8.088 1.00 1.00 C ATOM 0 HA PRO A 36 33.635 -16.133 10.402 1.00 1.00 H new ATOM 0 HB2 PRO A 36 34.152 -17.775 7.907 1.00 1.00 H new ATOM 0 HB3 PRO A 36 33.961 -18.338 9.555 1.00 1.00 H new ATOM 0 HG2 PRO A 36 31.987 -18.692 7.791 1.00 1.00 H new ATOM 0 HG3 PRO A 36 31.611 -18.281 9.452 1.00 1.00 H new ATOM 0 HD2 PRO A 36 31.552 -16.491 7.003 1.00 1.00 H new ATOM 0 HD3 PRO A 36 30.468 -16.496 8.381 1.00 1.00 H new ATOM 556 N ASP A 37 34.703 -14.563 7.899 1.00 1.00 N ATOM 557 CA ASP A 37 35.838 -13.804 7.388 1.00 1.00 C ATOM 558 C ASP A 37 36.158 -12.647 8.328 1.00 1.00 C ATOM 559 O ASP A 37 37.052 -11.847 8.057 1.00 1.00 O ATOM 560 CB ASP A 37 35.528 -13.253 5.994 1.00 1.00 C ATOM 561 CG ASP A 37 34.269 -12.393 6.037 1.00 1.00 C ATOM 562 OD1 ASP A 37 33.647 -12.338 7.085 1.00 1.00 O ATOM 563 OD2 ASP A 37 33.944 -11.802 5.020 1.00 1.00 O ATOM 0 H ASP A 37 33.807 -14.333 7.469 1.00 1.00 H new ATOM 0 HA ASP A 37 36.698 -14.471 7.325 1.00 1.00 H new ATOM 0 HB2 ASP A 37 36.369 -12.661 5.633 1.00 1.00 H new ATOM 0 HB3 ASP A 37 35.392 -14.075 5.292 1.00 1.00 H new ATOM 568 N TYR A 38 35.414 -12.558 9.431 1.00 1.00 N ATOM 569 CA TYR A 38 35.629 -11.479 10.397 1.00 1.00 C ATOM 570 C TYR A 38 36.812 -11.790 11.303 1.00 1.00 C ATOM 571 O TYR A 38 37.140 -11.002 12.191 1.00 1.00 O ATOM 572 CB TYR A 38 34.384 -11.271 11.269 1.00 1.00 C ATOM 573 CG TYR A 38 34.486 -9.946 11.992 1.00 1.00 C ATOM 574 CD1 TYR A 38 34.080 -8.765 11.355 1.00 1.00 C ATOM 575 CD2 TYR A 38 34.982 -9.899 13.300 1.00 1.00 C ATOM 576 CE1 TYR A 38 34.176 -7.539 12.026 1.00 1.00 C ATOM 577 CE2 TYR A 38 35.076 -8.673 13.970 1.00 1.00 C ATOM 578 CZ TYR A 38 34.672 -7.494 13.334 1.00 1.00 C ATOM 579 OH TYR A 38 34.768 -6.286 13.995 1.00 1.00 O ATOM 0 H TYR A 38 34.668 -13.209 9.676 1.00 1.00 H new ATOM 0 HA TYR A 38 35.833 -10.571 9.829 1.00 1.00 H new ATOM 0 HB2 TYR A 38 33.487 -11.291 10.650 1.00 1.00 H new ATOM 0 HB3 TYR A 38 34.292 -12.084 11.990 1.00 1.00 H new ATOM 0 HD1 TYR A 38 33.693 -8.800 10.347 1.00 1.00 H new ATOM 0 HD2 TYR A 38 35.292 -10.809 13.793 1.00 1.00 H new ATOM 0 HE1 TYR A 38 33.867 -6.629 11.534 1.00 1.00 H new ATOM 0 HE2 TYR A 38 35.461 -8.637 14.979 1.00 1.00 H new ATOM 0 HH TYR A 38 35.131 -6.433 14.894 1.00 1.00 H new ATOM 589 N GLU A 39 37.448 -12.946 11.089 1.00 1.00 N ATOM 590 CA GLU A 39 38.597 -13.347 11.914 1.00 1.00 C ATOM 591 C GLU A 39 39.831 -13.666 11.058 1.00 1.00 C ATOM 592 O GLU A 39 40.224 -14.826 10.936 1.00 1.00 O ATOM 593 CB GLU A 39 38.226 -14.578 12.748 1.00 1.00 C ATOM 594 CG GLU A 39 37.479 -15.572 11.865 1.00 1.00 C ATOM 595 CD GLU A 39 37.201 -16.860 12.635 1.00 1.00 C ATOM 596 OE1 GLU A 39 38.086 -17.699 12.687 1.00 1.00 O ATOM 597 OE2 GLU A 39 36.106 -16.990 13.158 1.00 1.00 O ATOM 0 H GLU A 39 37.193 -13.614 10.362 1.00 1.00 H new ATOM 0 HA GLU A 39 38.846 -12.510 12.566 1.00 1.00 H new ATOM 0 HB2 GLU A 39 39.125 -15.040 13.157 1.00 1.00 H new ATOM 0 HB3 GLU A 39 37.604 -14.286 13.594 1.00 1.00 H new ATOM 0 HG2 GLU A 39 36.541 -15.134 11.526 1.00 1.00 H new ATOM 0 HG3 GLU A 39 38.068 -15.792 10.975 1.00 1.00 H new ATOM 604 N PRO A 40 40.452 -12.666 10.482 1.00 1.00 N ATOM 605 CA PRO A 40 41.671 -12.852 9.637 1.00 1.00 C ATOM 606 C PRO A 40 42.937 -13.014 10.478 1.00 1.00 C ATOM 607 O PRO A 40 44.056 -12.882 9.980 1.00 1.00 O ATOM 608 CB PRO A 40 41.710 -11.574 8.794 1.00 1.00 C ATOM 609 CG PRO A 40 41.054 -10.522 9.642 1.00 1.00 C ATOM 610 CD PRO A 40 40.055 -11.249 10.560 1.00 1.00 C ATOM 0 HA PRO A 40 41.630 -13.760 9.035 1.00 1.00 H new ATOM 0 HB2 PRO A 40 42.735 -11.297 8.546 1.00 1.00 H new ATOM 0 HB3 PRO A 40 41.179 -11.708 7.852 1.00 1.00 H new ATOM 0 HG2 PRO A 40 41.796 -9.981 10.230 1.00 1.00 H new ATOM 0 HG3 PRO A 40 40.543 -9.787 9.020 1.00 1.00 H new ATOM 0 HD2 PRO A 40 40.111 -10.876 11.583 1.00 1.00 H new ATOM 0 HD3 PRO A 40 39.028 -11.105 10.224 1.00 1.00 H new ATOM 618 N ILE A 41 42.744 -13.305 11.748 1.00 1.00 N ATOM 619 CA ILE A 41 43.853 -13.493 12.668 1.00 1.00 C ATOM 620 C ILE A 41 44.581 -14.789 12.354 1.00 1.00 C ATOM 621 O ILE A 41 45.724 -14.994 12.759 1.00 1.00 O ATOM 622 CB ILE A 41 43.345 -13.513 14.116 1.00 1.00 C ATOM 623 CG1 ILE A 41 42.423 -12.285 14.385 1.00 1.00 C ATOM 624 CG2 ILE A 41 44.551 -13.475 15.065 1.00 1.00 C ATOM 625 CD1 ILE A 41 40.948 -12.710 14.339 1.00 1.00 C ATOM 0 H ILE A 41 41.823 -13.418 12.172 1.00 1.00 H new ATOM 0 HA ILE A 41 44.547 -12.661 12.551 1.00 1.00 H new ATOM 0 HB ILE A 41 42.767 -14.422 14.284 1.00 1.00 H new ATOM 0 HG12 ILE A 41 42.655 -11.853 15.359 1.00 1.00 H new ATOM 0 HG13 ILE A 41 42.609 -11.511 13.641 1.00 1.00 H new ATOM 0 HG21 ILE A 41 44.202 -13.489 16.098 1.00 1.00 H new ATOM 0 HG22 ILE A 41 45.184 -14.344 14.884 1.00 1.00 H new ATOM 0 HG23 ILE A 41 45.125 -12.565 14.888 1.00 1.00 H new ATOM 0 HD11 ILE A 41 40.314 -11.844 14.528 1.00 1.00 H new ATOM 0 HD12 ILE A 41 40.718 -13.120 13.356 1.00 1.00 H new ATOM 0 HD13 ILE A 41 40.764 -13.468 15.100 1.00 1.00 H new ATOM 637 N ARG A 42 43.894 -15.660 11.639 1.00 1.00 N ATOM 638 CA ARG A 42 44.455 -16.959 11.269 1.00 1.00 C ATOM 639 C ARG A 42 45.691 -16.791 10.385 1.00 1.00 C ATOM 640 O ARG A 42 45.593 -16.789 9.158 1.00 1.00 O ATOM 641 CB ARG A 42 43.409 -17.793 10.516 1.00 1.00 C ATOM 642 CG ARG A 42 42.093 -17.846 11.306 1.00 1.00 C ATOM 643 CD ARG A 42 42.241 -18.754 12.532 1.00 1.00 C ATOM 644 NE ARG A 42 42.762 -20.059 12.137 1.00 1.00 N ATOM 645 CZ ARG A 42 41.968 -20.977 11.597 1.00 1.00 C ATOM 646 NH1 ARG A 42 40.705 -20.715 11.411 1.00 1.00 N ATOM 647 NH2 ARG A 42 42.452 -22.139 11.251 1.00 1.00 N ATOM 0 H ARG A 42 42.946 -15.498 11.300 1.00 1.00 H new ATOM 0 HA ARG A 42 44.744 -17.471 12.187 1.00 1.00 H new ATOM 0 HB2 ARG A 42 43.232 -17.361 9.531 1.00 1.00 H new ATOM 0 HB3 ARG A 42 43.786 -18.803 10.358 1.00 1.00 H new ATOM 0 HG2 ARG A 42 41.810 -16.842 11.622 1.00 1.00 H new ATOM 0 HG3 ARG A 42 41.292 -18.216 10.666 1.00 1.00 H new ATOM 0 HD2 ARG A 42 42.911 -18.292 13.256 1.00 1.00 H new ATOM 0 HD3 ARG A 42 41.275 -18.874 13.023 1.00 1.00 H new ATOM 0 HE ARG A 42 43.750 -20.269 12.278 1.00 1.00 H new ATOM 0 HH11 ARG A 42 40.328 -19.806 11.680 1.00 1.00 H new ATOM 0 HH12 ARG A 42 40.094 -21.419 10.996 1.00 1.00 H new ATOM 0 HH21 ARG A 42 43.441 -22.343 11.395 1.00 1.00 H new ATOM 0 HH22 ARG A 42 41.841 -22.843 10.837 1.00 1.00 H new ATOM 661 N LYS A 43 46.851 -16.659 11.021 1.00 1.00 N ATOM 662 CA LYS A 43 48.102 -16.501 10.300 1.00 1.00 C ATOM 663 C LYS A 43 49.285 -16.539 11.275 1.00 1.00 C ATOM 664 O LYS A 43 49.545 -15.563 11.978 1.00 1.00 O ATOM 665 CB LYS A 43 48.096 -15.166 9.560 1.00 1.00 C ATOM 666 CG LYS A 43 47.562 -14.035 10.478 1.00 1.00 C ATOM 667 CD LYS A 43 48.361 -12.749 10.239 1.00 1.00 C ATOM 668 CE LYS A 43 47.810 -11.632 11.130 1.00 1.00 C ATOM 669 NZ LYS A 43 48.684 -10.429 11.019 1.00 1.00 N ATOM 0 H LYS A 43 46.947 -16.659 12.036 1.00 1.00 H new ATOM 0 HA LYS A 43 48.205 -17.318 9.586 1.00 1.00 H new ATOM 0 HB2 LYS A 43 49.105 -14.925 9.226 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.474 -15.241 8.668 1.00 1.00 H new ATOM 0 HG2 LYS A 43 46.505 -13.860 10.277 1.00 1.00 H new ATOM 0 HG3 LYS A 43 47.642 -14.334 11.523 1.00 1.00 H new ATOM 0 HD2 LYS A 43 49.415 -12.917 10.459 1.00 1.00 H new ATOM 0 HD3 LYS A 43 48.296 -12.458 9.191 1.00 1.00 H new ATOM 0 HE2 LYS A 43 46.792 -11.383 10.831 1.00 1.00 H new ATOM 0 HE3 LYS A 43 47.765 -11.968 12.166 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 48.673 -9.907 11.919 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 49.657 -10.726 10.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 48.333 -9.814 10.258 1.00 1.00 H new ATOM 683 N GLY A 44 50.001 -17.660 11.329 1.00 1.00 N ATOM 684 CA GLY A 44 51.138 -17.764 12.247 1.00 1.00 C ATOM 685 C GLY A 44 52.155 -16.656 12.000 1.00 1.00 C ATOM 686 O GLY A 44 52.619 -16.013 12.939 1.00 1.00 O ATOM 0 H GLY A 44 49.823 -18.491 10.765 1.00 1.00 H new ATOM 0 HA2 GLY A 44 50.783 -17.711 13.276 1.00 1.00 H new ATOM 0 HA3 GLY A 44 51.618 -18.735 12.125 1.00 1.00 H new ATOM 690 N GLN A 45 52.491 -16.433 10.737 1.00 1.00 N ATOM 691 CA GLN A 45 53.461 -15.396 10.387 1.00 1.00 C ATOM 692 C GLN A 45 54.686 -15.475 11.293 1.00 1.00 C ATOM 693 O GLN A 45 54.903 -14.612 12.142 1.00 1.00 O ATOM 694 CB GLN A 45 52.820 -14.022 10.528 1.00 1.00 C ATOM 695 CG GLN A 45 53.738 -12.964 9.911 1.00 1.00 C ATOM 696 CD GLN A 45 53.099 -11.585 10.032 1.00 1.00 C ATOM 697 OE1 GLN A 45 51.818 -11.488 10.261 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 53.784 -10.569 9.913 1.00 1.00 N flip ATOM 0 H GLN A 45 52.113 -16.949 9.942 1.00 1.00 H new ATOM 0 HA GLN A 45 53.775 -15.554 9.355 1.00 1.00 H new ATOM 0 HB2 GLN A 45 51.849 -14.010 10.033 1.00 1.00 H new ATOM 0 HB3 GLN A 45 52.644 -13.797 11.580 1.00 1.00 H new ATOM 0 HG2 GLN A 45 54.705 -12.971 10.414 1.00 1.00 H new ATOM 0 HG3 GLN A 45 53.923 -13.198 8.862 1.00 1.00 H new ATOM 0 HE21 GLN A 45 54.785 -10.647 9.734 1.00 1.00 H new ATOM 0 HE22 GLN A 45 53.350 -9.649 9.993 1.00 1.00 H new ATOM 707 N ARG A 46 55.491 -16.509 11.088 1.00 1.00 N ATOM 708 CA ARG A 46 56.715 -16.699 11.871 1.00 1.00 C ATOM 709 C ARG A 46 57.769 -17.431 11.049 1.00 1.00 C ATOM 710 O ARG A 46 58.950 -17.428 11.398 1.00 1.00 O ATOM 711 CB ARG A 46 56.439 -17.486 13.162 1.00 1.00 C ATOM 712 CG ARG A 46 55.715 -16.592 14.167 1.00 1.00 C ATOM 713 CD ARG A 46 55.520 -17.364 15.470 1.00 1.00 C ATOM 714 NE ARG A 46 56.823 -17.741 16.011 1.00 1.00 N ATOM 715 CZ ARG A 46 57.543 -16.887 16.732 1.00 1.00 C ATOM 716 NH1 ARG A 46 57.080 -15.694 16.984 1.00 1.00 N ATOM 717 NH2 ARG A 46 58.716 -17.242 17.181 1.00 1.00 N ATOM 0 H ARG A 46 55.323 -17.231 10.388 1.00 1.00 H new ATOM 0 HA ARG A 46 57.086 -15.710 12.139 1.00 1.00 H new ATOM 0 HB2 ARG A 46 55.834 -18.365 12.941 1.00 1.00 H new ATOM 0 HB3 ARG A 46 57.376 -17.844 13.588 1.00 1.00 H new ATOM 0 HG2 ARG A 46 56.293 -15.686 14.349 1.00 1.00 H new ATOM 0 HG3 ARG A 46 54.750 -16.280 13.767 1.00 1.00 H new ATOM 0 HD2 ARG A 46 54.978 -16.751 16.191 1.00 1.00 H new ATOM 0 HD3 ARG A 46 54.917 -18.254 15.291 1.00 1.00 H new ATOM 0 HE ARG A 46 57.187 -18.677 15.832 1.00 1.00 H new ATOM 0 HH11 ARG A 46 56.165 -15.416 16.628 1.00 1.00 H new ATOM 0 HH12 ARG A 46 57.632 -15.039 17.537 1.00 1.00 H new ATOM 0 HH21 ARG A 46 59.079 -18.173 16.979 1.00 1.00 H new ATOM 0 HH22 ARG A 46 59.270 -16.588 17.734 1.00 1.00 H new ATOM 731 N ASP A 47 57.341 -18.060 9.958 1.00 1.00 N ATOM 732 CA ASP A 47 58.274 -18.796 9.098 1.00 1.00 C ATOM 733 C ASP A 47 58.829 -17.883 8.012 1.00 1.00 C ATOM 734 O ASP A 47 59.674 -18.290 7.213 1.00 1.00 O ATOM 735 CB ASP A 47 57.575 -20.000 8.447 1.00 1.00 C ATOM 736 CG ASP A 47 57.126 -20.990 9.518 1.00 1.00 C ATOM 737 OD1 ASP A 47 57.648 -20.918 10.618 1.00 1.00 O ATOM 738 OD2 ASP A 47 56.270 -21.807 9.222 1.00 1.00 O ATOM 0 H ASP A 47 56.369 -18.078 9.648 1.00 1.00 H new ATOM 0 HA ASP A 47 59.095 -19.155 9.719 1.00 1.00 H new ATOM 0 HB2 ASP A 47 56.714 -19.662 7.870 1.00 1.00 H new ATOM 0 HB3 ASP A 47 58.254 -20.491 7.749 1.00 1.00 H new ATOM 743 N LEU A 48 58.343 -16.649 7.985 1.00 1.00 N ATOM 744 CA LEU A 48 58.793 -15.689 6.988 1.00 1.00 C ATOM 745 C LEU A 48 60.232 -15.263 7.284 1.00 1.00 C ATOM 746 O LEU A 48 60.961 -14.863 6.384 1.00 1.00 O ATOM 747 CB LEU A 48 57.846 -14.463 6.957 1.00 1.00 C ATOM 748 CG LEU A 48 57.642 -13.956 5.512 1.00 1.00 C ATOM 749 CD1 LEU A 48 58.997 -13.604 4.884 1.00 1.00 C ATOM 750 CD2 LEU A 48 56.926 -15.038 4.661 1.00 1.00 C ATOM 0 H LEU A 48 57.644 -16.292 8.636 1.00 1.00 H new ATOM 0 HA LEU A 48 58.770 -16.159 6.005 1.00 1.00 H new ATOM 0 HB2 LEU A 48 56.883 -14.732 7.391 1.00 1.00 H new ATOM 0 HB3 LEU A 48 58.260 -13.664 7.571 1.00 1.00 H new ATOM 0 HG LEU A 48 57.020 -13.061 5.537 1.00 1.00 H new ATOM 0 HD11 LEU A 48 58.844 -13.247 3.865 1.00 1.00 H new ATOM 0 HD12 LEU A 48 59.479 -12.824 5.473 1.00 1.00 H new ATOM 0 HD13 LEU A 48 59.631 -14.490 4.867 1.00 1.00 H new ATOM 0 HD21 LEU A 48 56.788 -14.669 3.645 1.00 1.00 H new ATOM 0 HD22 LEU A 48 57.532 -15.944 4.639 1.00 1.00 H new ATOM 0 HD23 LEU A 48 55.954 -15.263 5.101 1.00 1.00 H new ATOM 762 N TYR A 49 60.622 -15.341 8.561 1.00 1.00 N ATOM 763 CA TYR A 49 61.980 -14.949 8.968 1.00 1.00 C ATOM 764 C TYR A 49 62.946 -16.123 8.815 1.00 1.00 C ATOM 765 O TYR A 49 64.083 -15.946 8.376 1.00 1.00 O ATOM 766 CB TYR A 49 61.990 -14.445 10.433 1.00 1.00 C ATOM 767 CG TYR A 49 63.202 -13.565 10.678 1.00 1.00 C ATOM 768 CD1 TYR A 49 64.458 -14.142 10.907 1.00 1.00 C ATOM 769 CD2 TYR A 49 63.064 -12.170 10.672 1.00 1.00 C ATOM 770 CE1 TYR A 49 65.574 -13.323 11.132 1.00 1.00 C ATOM 771 CE2 TYR A 49 64.179 -11.354 10.896 1.00 1.00 C ATOM 772 CZ TYR A 49 65.434 -11.930 11.126 1.00 1.00 C ATOM 773 OH TYR A 49 66.534 -11.125 11.345 1.00 1.00 O ATOM 0 H TYR A 49 60.027 -15.667 9.323 1.00 1.00 H new ATOM 0 HA TYR A 49 62.306 -14.137 8.317 1.00 1.00 H new ATOM 0 HB2 TYR A 49 61.078 -13.885 10.638 1.00 1.00 H new ATOM 0 HB3 TYR A 49 62.004 -15.294 11.117 1.00 1.00 H new ATOM 0 HD1 TYR A 49 64.567 -15.217 10.910 1.00 1.00 H new ATOM 0 HD2 TYR A 49 62.096 -11.724 10.494 1.00 1.00 H new ATOM 0 HE1 TYR A 49 66.542 -13.767 11.310 1.00 1.00 H new ATOM 0 HE2 TYR A 49 64.071 -10.279 10.891 1.00 1.00 H new ATOM 0 HH TYR A 49 66.263 -10.184 11.307 1.00 1.00 H new ATOM 783 N SER A 50 62.490 -17.323 9.174 1.00 1.00 N ATOM 784 CA SER A 50 63.326 -18.515 9.065 1.00 1.00 C ATOM 785 C SER A 50 63.545 -18.896 7.604 1.00 1.00 C ATOM 786 O SER A 50 64.628 -19.336 7.222 1.00 1.00 O ATOM 787 CB SER A 50 62.671 -19.681 9.807 1.00 1.00 C ATOM 788 OG SER A 50 61.378 -19.914 9.268 1.00 1.00 O ATOM 0 H SER A 50 61.553 -17.494 9.540 1.00 1.00 H new ATOM 0 HA SER A 50 64.294 -18.294 9.514 1.00 1.00 H new ATOM 0 HB2 SER A 50 63.284 -20.577 9.712 1.00 1.00 H new ATOM 0 HB3 SER A 50 62.599 -19.455 10.871 1.00 1.00 H new ATOM 0 HG SER A 50 60.956 -20.662 9.741 1.00 1.00 H new ATOM 794 N GLY A 51 62.506 -18.726 6.793 1.00 1.00 N ATOM 795 CA GLY A 51 62.596 -19.061 5.368 1.00 1.00 C ATOM 796 C GLY A 51 63.369 -17.995 4.600 1.00 1.00 C ATOM 797 O GLY A 51 63.638 -18.153 3.408 1.00 1.00 O ATOM 0 H GLY A 51 61.600 -18.363 7.089 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.087 -20.027 5.249 1.00 1.00 H new ATOM 0 HA3 GLY A 51 61.594 -19.159 4.951 1.00 1.00 H new ATOM 801 N LEU A 52 63.724 -16.907 5.280 1.00 1.00 N ATOM 802 CA LEU A 52 64.471 -15.825 4.631 1.00 1.00 C ATOM 803 C LEU A 52 65.977 -16.074 4.731 1.00 1.00 C ATOM 804 O LEU A 52 66.775 -15.319 4.176 1.00 1.00 O ATOM 805 CB LEU A 52 64.117 -14.456 5.262 1.00 1.00 C ATOM 806 CG LEU A 52 64.155 -13.351 4.185 1.00 1.00 C ATOM 807 CD1 LEU A 52 62.833 -13.347 3.391 1.00 1.00 C ATOM 808 CD2 LEU A 52 64.353 -11.982 4.850 1.00 1.00 C ATOM 0 H LEU A 52 63.512 -16.749 6.265 1.00 1.00 H new ATOM 0 HA LEU A 52 64.188 -15.806 3.579 1.00 1.00 H new ATOM 0 HB2 LEU A 52 63.126 -14.500 5.714 1.00 1.00 H new ATOM 0 HB3 LEU A 52 64.821 -14.221 6.060 1.00 1.00 H new ATOM 0 HG LEU A 52 64.985 -13.548 3.506 1.00 1.00 H new ATOM 0 HD11 LEU A 52 62.866 -12.565 2.633 1.00 1.00 H new ATOM 0 HD12 LEU A 52 62.695 -14.315 2.908 1.00 1.00 H new ATOM 0 HD13 LEU A 52 62.001 -13.159 4.070 1.00 1.00 H new ATOM 0 HD21 LEU A 52 64.379 -11.206 4.085 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.528 -11.788 5.536 1.00 1.00 H new ATOM 0 HD23 LEU A 52 65.293 -11.978 5.402 1.00 1.00 H new ATOM 820 N ASN A 53 66.360 -17.130 5.443 1.00 1.00 N ATOM 821 CA ASN A 53 67.780 -17.452 5.603 1.00 1.00 C ATOM 822 C ASN A 53 68.522 -17.282 4.285 1.00 1.00 C ATOM 823 O ASN A 53 69.671 -16.838 4.272 1.00 1.00 O ATOM 824 CB ASN A 53 67.966 -18.891 6.119 1.00 1.00 C ATOM 825 CG ASN A 53 67.223 -19.866 5.213 1.00 1.00 C ATOM 826 OD1 ASN A 53 65.924 -19.786 5.112 1.00 1.00 O flip ATOM 827 ND2 ASN A 53 67.841 -20.719 4.575 1.00 1.00 N flip ATOM 0 H ASN A 53 65.720 -17.770 5.913 1.00 1.00 H new ATOM 0 HA ASN A 53 68.194 -16.761 6.337 1.00 1.00 H new ATOM 0 HB2 ASN A 53 69.026 -19.143 6.147 1.00 1.00 H new ATOM 0 HB3 ASN A 53 67.592 -18.972 7.140 1.00 1.00 H new ATOM 0 HD21 ASN A 53 68.856 -20.780 4.655 1.00 1.00 H new ATOM 0 HD22 ASN A 53 67.338 -21.365 3.966 1.00 1.00 H new ATOM 834 N GLN A 54 67.868 -17.637 3.177 1.00 1.00 N ATOM 835 CA GLN A 54 68.495 -17.525 1.856 1.00 1.00 C ATOM 836 C GLN A 54 69.926 -18.075 1.904 1.00 1.00 C ATOM 837 O GLN A 54 70.707 -17.891 0.974 1.00 1.00 O ATOM 838 CB GLN A 54 68.506 -16.054 1.399 1.00 1.00 C ATOM 839 CG GLN A 54 68.675 -15.977 -0.125 1.00 1.00 C ATOM 840 CD GLN A 54 68.625 -14.524 -0.587 1.00 1.00 C ATOM 841 OE1 GLN A 54 69.224 -13.652 0.041 1.00 1.00 O ATOM 842 NE2 GLN A 54 67.946 -14.210 -1.657 1.00 1.00 N ATOM 0 H GLN A 54 66.915 -18.001 3.166 1.00 1.00 H new ATOM 0 HA GLN A 54 67.918 -18.111 1.140 1.00 1.00 H new ATOM 0 HB2 GLN A 54 67.577 -15.566 1.695 1.00 1.00 H new ATOM 0 HB3 GLN A 54 69.318 -15.518 1.890 1.00 1.00 H new ATOM 0 HG2 GLN A 54 69.624 -16.427 -0.416 1.00 1.00 H new ATOM 0 HG3 GLN A 54 67.888 -16.550 -0.615 1.00 1.00 H new ATOM 0 HE21 GLN A 54 67.450 -14.934 -2.177 1.00 1.00 H new ATOM 0 HE22 GLN A 54 67.912 -13.241 -1.973 1.00 1.00 H new ATOM 851 N ARG A 55 70.263 -18.751 3.005 1.00 1.00 N ATOM 852 CA ARG A 55 71.603 -19.318 3.168 1.00 1.00 C ATOM 853 C ARG A 55 72.666 -18.234 3.013 1.00 1.00 C ATOM 854 O ARG A 55 72.860 -17.696 1.923 1.00 1.00 O ATOM 855 CB ARG A 55 71.847 -20.419 2.126 1.00 1.00 C ATOM 856 CG ARG A 55 73.292 -20.974 2.257 1.00 1.00 C ATOM 857 CD ARG A 55 74.165 -20.502 1.086 1.00 1.00 C ATOM 858 NE ARG A 55 75.539 -20.955 1.265 1.00 1.00 N ATOM 859 CZ ARG A 55 76.551 -20.346 0.654 1.00 1.00 C ATOM 860 NH1 ARG A 55 76.326 -19.315 -0.115 1.00 1.00 N ATOM 861 NH2 ARG A 55 77.771 -20.774 0.829 1.00 1.00 N ATOM 0 H ARG A 55 69.633 -18.918 3.790 1.00 1.00 H new ATOM 0 HA ARG A 55 71.670 -19.745 4.169 1.00 1.00 H new ATOM 0 HB2 ARG A 55 71.127 -21.225 2.263 1.00 1.00 H new ATOM 0 HB3 ARG A 55 71.692 -20.021 1.123 1.00 1.00 H new ATOM 0 HG2 ARG A 55 73.729 -20.643 3.199 1.00 1.00 H new ATOM 0 HG3 ARG A 55 73.267 -22.063 2.282 1.00 1.00 H new ATOM 0 HD2 ARG A 55 73.767 -20.888 0.148 1.00 1.00 H new ATOM 0 HD3 ARG A 55 74.139 -19.414 1.019 1.00 1.00 H new ATOM 0 HE ARG A 55 75.728 -21.754 1.870 1.00 1.00 H new ATOM 0 HH11 ARG A 55 75.373 -18.976 -0.248 1.00 1.00 H new ATOM 0 HH12 ARG A 55 77.103 -18.849 -0.583 1.00 1.00 H new ATOM 0 HH21 ARG A 55 77.948 -21.576 1.434 1.00 1.00 H new ATOM 0 HH22 ARG A 55 78.547 -20.307 0.360 1.00 1.00 H new ATOM 875 N ALA A 56 73.352 -17.921 4.113 1.00 1.00 N ATOM 876 CA ALA A 56 74.408 -16.896 4.096 1.00 1.00 C ATOM 877 C ALA A 56 74.033 -15.742 3.170 1.00 1.00 C ATOM 878 O ALA A 56 74.684 -15.511 2.151 1.00 1.00 O ATOM 879 CB ALA A 56 75.725 -17.512 3.626 1.00 1.00 C ATOM 0 H ALA A 56 73.200 -18.356 5.023 1.00 1.00 H new ATOM 0 HA ALA A 56 74.522 -16.510 5.109 1.00 1.00 H new ATOM 0 HB1 ALA A 56 76.501 -16.747 3.616 1.00 1.00 H new ATOM 0 HB2 ALA A 56 76.014 -18.314 4.305 1.00 1.00 H new ATOM 0 HB3 ALA A 56 75.600 -17.915 2.621 1.00 1.00 H new ATOM 885 N VAL A 57 72.978 -15.030 3.535 1.00 1.00 N ATOM 886 CA VAL A 57 72.508 -13.903 2.735 1.00 1.00 C ATOM 887 C VAL A 57 73.591 -12.830 2.643 1.00 1.00 C ATOM 888 O VAL A 57 73.518 -12.023 1.731 1.00 1.00 O ATOM 889 CB VAL A 57 71.236 -13.309 3.355 1.00 1.00 C ATOM 890 CG1 VAL A 57 71.492 -12.975 4.825 1.00 1.00 C ATOM 891 CG2 VAL A 57 70.844 -12.034 2.604 1.00 1.00 C ATOM 892 OXT VAL A 57 74.473 -12.833 3.484 1.00 1.00 O ATOM 0 H VAL A 57 72.431 -15.209 4.377 1.00 1.00 H new ATOM 0 HA VAL A 57 72.280 -14.261 1.731 1.00 1.00 H new ATOM 0 HB VAL A 57 70.427 -14.035 3.282 1.00 1.00 H new ATOM 0 HG11 VAL A 57 70.588 -12.553 5.265 1.00 1.00 H new ATOM 0 HG12 VAL A 57 71.767 -13.883 5.362 1.00 1.00 H new ATOM 0 HG13 VAL A 57 72.303 -12.251 4.898 1.00 1.00 H new ATOM 0 HG21 VAL A 57 69.940 -11.614 3.046 1.00 1.00 H new ATOM 0 HG22 VAL A 57 71.653 -11.307 2.674 1.00 1.00 H new ATOM 0 HG23 VAL A 57 70.659 -12.271 1.556 1.00 1.00 H new TER 902 VAL A 57