USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=18 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 8 LYS NZ :NH3+ 159:sc= -1.32 (180deg=0) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -115:sc= -4.75! (180deg=-0.475) USER MOD Set 2.1: A 25 GLN : amide:sc= -5.09! C(o=-8.6!,f=-16!) USER MOD Set 2.2: A 26 ASN :FLIP amide:sc= -3.47! C(o=-9.9!,f=-8.6!) USER MOD Single : A 1 CYS N :NH3+ 157:sc= 0.0129 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0105 USER MOD Single : A 2 SER OG : rot -130:sc= -0.198 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -7.58! C(o=-11!,f=-7.6!) USER MOD Single : A 6 LYS NZ :NH3+ -117:sc= -0.368 (180deg=-2.37!) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= -0.134 (180deg=-0.894) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -69:sc= 0.493 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0232) USER MOD Single : A 35 ASN : amide:sc= -0.21 K(o=-0.21,f=-4.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.71 F(o=-3.4!,f=-1.7) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=-0.00491 USER MOD Single : A 53 ASN : amide:sc= -5.83! C(o=-5.8!,f=-13!) USER MOD Single : A 54 GLN :FLIP amide:sc= -1.78 F(o=-3.5!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 51.750 -13.657 -7.202 1.00 1.00 N ATOM 2 CA CYS A 1 50.296 -13.976 -7.177 1.00 1.00 C ATOM 3 C CYS A 1 50.106 -15.485 -7.278 1.00 1.00 C ATOM 4 O CYS A 1 49.903 -16.024 -8.366 1.00 1.00 O ATOM 5 CB CYS A 1 49.605 -13.283 -8.354 1.00 1.00 C ATOM 6 SG CYS A 1 49.447 -11.514 -8.003 1.00 1.00 S ATOM 0 H1 CYS A 1 51.885 -12.676 -7.521 1.00 1.00 H new ATOM 0 H2 CYS A 1 52.146 -13.768 -6.247 1.00 1.00 H new ATOM 0 H3 CYS A 1 52.236 -14.304 -7.856 1.00 1.00 H new ATOM 0 HA CYS A 1 49.857 -13.622 -6.244 1.00 1.00 H new ATOM 0 HB2 CYS A 1 50.180 -13.434 -9.267 1.00 1.00 H new ATOM 0 HB3 CYS A 1 48.621 -13.721 -8.521 1.00 1.00 H new ATOM 0 HG CYS A 1 48.862 -10.924 -9.003 1.00 1.00 H new ATOM 14 N SER A 2 50.169 -16.162 -6.137 1.00 1.00 N ATOM 15 CA SER A 2 49.998 -17.610 -6.109 1.00 1.00 C ATOM 16 C SER A 2 48.576 -17.969 -6.533 1.00 1.00 C ATOM 17 O SER A 2 47.621 -17.292 -6.151 1.00 1.00 O ATOM 18 CB SER A 2 50.271 -18.128 -4.692 1.00 1.00 C ATOM 19 OG SER A 2 51.454 -17.518 -4.192 1.00 1.00 O ATOM 0 H SER A 2 50.336 -15.736 -5.226 1.00 1.00 H new ATOM 0 HA SER A 2 50.700 -18.074 -6.802 1.00 1.00 H new ATOM 0 HB2 SER A 2 49.427 -17.902 -4.040 1.00 1.00 H new ATOM 0 HB3 SER A 2 50.383 -19.212 -4.703 1.00 1.00 H new ATOM 0 HG SER A 2 52.052 -18.208 -3.835 1.00 1.00 H new ATOM 25 N LYS A 3 48.437 -19.029 -7.325 1.00 1.00 N ATOM 26 CA LYS A 3 47.115 -19.449 -7.786 1.00 1.00 C ATOM 27 C LYS A 3 46.310 -20.039 -6.635 1.00 1.00 C ATOM 28 O LYS A 3 45.624 -21.046 -6.801 1.00 1.00 O ATOM 29 CB LYS A 3 47.239 -20.494 -8.900 1.00 1.00 C ATOM 30 CG LYS A 3 48.276 -21.548 -8.501 1.00 1.00 C ATOM 31 CD LYS A 3 48.132 -22.785 -9.392 1.00 1.00 C ATOM 32 CE LYS A 3 48.491 -22.429 -10.836 1.00 1.00 C ATOM 33 NZ LYS A 3 48.705 -23.682 -11.616 1.00 1.00 N ATOM 0 H LYS A 3 49.210 -19.606 -7.657 1.00 1.00 H new ATOM 0 HA LYS A 3 46.601 -18.569 -8.173 1.00 1.00 H new ATOM 0 HB2 LYS A 3 46.274 -20.968 -9.077 1.00 1.00 H new ATOM 0 HB3 LYS A 3 47.534 -20.013 -9.833 1.00 1.00 H new ATOM 0 HG2 LYS A 3 49.281 -21.136 -8.596 1.00 1.00 H new ATOM 0 HG3 LYS A 3 48.142 -21.825 -7.455 1.00 1.00 H new ATOM 0 HD2 LYS A 3 48.783 -23.582 -9.032 1.00 1.00 H new ATOM 0 HD3 LYS A 3 47.110 -23.162 -9.344 1.00 1.00 H new ATOM 0 HE2 LYS A 3 47.693 -21.839 -11.286 1.00 1.00 H new ATOM 0 HE3 LYS A 3 49.392 -21.815 -10.858 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 48.949 -23.442 -12.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 49.481 -24.228 -11.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 47.834 -24.251 -11.605 1.00 1.00 H new ATOM 47 N ASN A 4 46.392 -19.405 -5.472 1.00 1.00 N ATOM 48 CA ASN A 4 45.654 -19.887 -4.303 1.00 1.00 C ATOM 49 C ASN A 4 45.863 -18.969 -3.105 1.00 1.00 C ATOM 50 O ASN A 4 44.904 -18.433 -2.551 1.00 1.00 O ATOM 51 CB ASN A 4 46.103 -21.307 -3.930 1.00 1.00 C ATOM 52 CG ASN A 4 47.617 -21.357 -3.764 1.00 1.00 C ATOM 53 OD1 ASN A 4 48.386 -20.815 -4.669 1.00 1.00 O flip ATOM 54 ND2 ASN A 4 48.114 -21.907 -2.781 1.00 1.00 N flip ATOM 0 H ASN A 4 46.952 -18.568 -5.310 1.00 1.00 H new ATOM 0 HA ASN A 4 44.596 -19.895 -4.565 1.00 1.00 H new ATOM 0 HB2 ASN A 4 45.618 -21.617 -3.004 1.00 1.00 H new ATOM 0 HB3 ASN A 4 45.792 -22.009 -4.704 1.00 1.00 H new ATOM 0 HD21 ASN A 4 47.512 -22.330 -2.075 1.00 1.00 H new ATOM 0 HD22 ASN A 4 49.128 -21.940 -2.673 1.00 1.00 H new ATOM 61 N ARG A 5 47.115 -18.796 -2.700 1.00 1.00 N ATOM 62 CA ARG A 5 47.412 -17.942 -1.556 1.00 1.00 C ATOM 63 C ARG A 5 47.183 -16.473 -1.901 1.00 1.00 C ATOM 64 O ARG A 5 46.593 -15.737 -1.111 1.00 1.00 O ATOM 65 CB ARG A 5 48.865 -18.140 -1.102 1.00 1.00 C ATOM 66 CG ARG A 5 49.253 -19.618 -1.214 1.00 1.00 C ATOM 67 CD ARG A 5 48.281 -20.478 -0.403 1.00 1.00 C ATOM 68 NE ARG A 5 48.136 -19.949 0.946 1.00 1.00 N ATOM 69 CZ ARG A 5 47.386 -20.576 1.845 1.00 1.00 C ATOM 70 NH1 ARG A 5 46.798 -21.698 1.532 1.00 1.00 N ATOM 71 NH2 ARG A 5 47.244 -20.074 3.040 1.00 1.00 N ATOM 0 H ARG A 5 47.929 -19.227 -3.138 1.00 1.00 H new ATOM 0 HA ARG A 5 46.740 -18.223 -0.745 1.00 1.00 H new ATOM 0 HB2 ARG A 5 49.532 -17.533 -1.715 1.00 1.00 H new ATOM 0 HB3 ARG A 5 48.982 -17.802 -0.072 1.00 1.00 H new ATOM 0 HG2 ARG A 5 49.240 -19.928 -2.259 1.00 1.00 H new ATOM 0 HG3 ARG A 5 50.270 -19.764 -0.851 1.00 1.00 H new ATOM 0 HD2 ARG A 5 47.309 -20.503 -0.897 1.00 1.00 H new ATOM 0 HD3 ARG A 5 48.643 -21.505 -0.360 1.00 1.00 H new ATOM 0 HE ARG A 5 48.616 -19.087 1.203 1.00 1.00 H new ATOM 0 HH11 ARG A 5 46.915 -22.092 0.598 1.00 1.00 H new ATOM 0 HH12 ARG A 5 46.222 -22.181 2.221 1.00 1.00 H new ATOM 0 HH21 ARG A 5 47.709 -19.200 3.284 1.00 1.00 H new ATOM 0 HH22 ARG A 5 46.668 -20.556 3.730 1.00 1.00 H new ATOM 85 N LYS A 6 47.667 -16.067 -3.083 1.00 1.00 N ATOM 86 CA LYS A 6 47.542 -14.672 -3.565 1.00 1.00 C ATOM 87 C LYS A 6 47.396 -13.680 -2.418 1.00 1.00 C ATOM 88 O LYS A 6 46.629 -12.719 -2.494 1.00 1.00 O ATOM 89 CB LYS A 6 46.357 -14.532 -4.522 1.00 1.00 C ATOM 90 CG LYS A 6 45.010 -14.833 -3.803 1.00 1.00 C ATOM 91 CD LYS A 6 44.359 -16.093 -4.392 1.00 1.00 C ATOM 92 CE LYS A 6 43.175 -16.514 -3.518 1.00 1.00 C ATOM 93 NZ LYS A 6 42.081 -15.517 -3.661 1.00 1.00 N ATOM 0 H LYS A 6 48.153 -16.686 -3.732 1.00 1.00 H new ATOM 0 HA LYS A 6 48.465 -14.438 -4.096 1.00 1.00 H new ATOM 0 HB2 LYS A 6 46.335 -13.522 -4.932 1.00 1.00 H new ATOM 0 HB3 LYS A 6 46.483 -15.214 -5.363 1.00 1.00 H new ATOM 0 HG2 LYS A 6 45.183 -14.970 -2.736 1.00 1.00 H new ATOM 0 HG3 LYS A 6 44.336 -13.983 -3.910 1.00 1.00 H new ATOM 0 HD2 LYS A 6 44.022 -15.899 -5.410 1.00 1.00 H new ATOM 0 HD3 LYS A 6 45.089 -16.900 -4.447 1.00 1.00 H new ATOM 0 HE2 LYS A 6 42.823 -17.502 -3.814 1.00 1.00 H new ATOM 0 HE3 LYS A 6 43.485 -16.585 -2.475 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 41.905 -15.061 -2.743 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 42.357 -14.797 -4.359 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 41.215 -15.995 -3.981 1.00 1.00 H new ATOM 107 N ALA A 7 48.146 -13.934 -1.360 1.00 1.00 N ATOM 108 CA ALA A 7 48.127 -13.080 -0.177 1.00 1.00 C ATOM 109 C ALA A 7 49.413 -13.265 0.628 1.00 1.00 C ATOM 110 O ALA A 7 50.009 -12.289 1.082 1.00 1.00 O ATOM 111 CB ALA A 7 46.910 -13.399 0.695 1.00 1.00 C ATOM 0 H ALA A 7 48.781 -14.729 -1.293 1.00 1.00 H new ATOM 0 HA ALA A 7 48.060 -12.042 -0.501 1.00 1.00 H new ATOM 0 HB1 ALA A 7 46.912 -12.753 1.573 1.00 1.00 H new ATOM 0 HB2 ALA A 7 45.998 -13.231 0.122 1.00 1.00 H new ATOM 0 HB3 ALA A 7 46.952 -14.441 1.012 1.00 1.00 H new ATOM 117 N LYS A 8 49.848 -14.520 0.791 1.00 1.00 N ATOM 118 CA LYS A 8 51.082 -14.810 1.529 1.00 1.00 C ATOM 119 C LYS A 8 51.835 -15.958 0.863 1.00 1.00 C ATOM 120 O LYS A 8 51.491 -17.126 1.046 1.00 1.00 O ATOM 121 CB LYS A 8 50.768 -15.183 2.987 1.00 1.00 C ATOM 122 CG LYS A 8 49.583 -16.182 3.054 1.00 1.00 C ATOM 123 CD LYS A 8 48.290 -15.455 3.446 1.00 1.00 C ATOM 124 CE LYS A 8 47.113 -16.436 3.406 1.00 1.00 C ATOM 125 NZ LYS A 8 45.864 -15.739 3.833 1.00 1.00 N ATOM 0 H LYS A 8 49.369 -15.343 0.426 1.00 1.00 H new ATOM 0 HA LYS A 8 51.703 -13.914 1.519 1.00 1.00 H new ATOM 0 HB2 LYS A 8 51.649 -15.624 3.453 1.00 1.00 H new ATOM 0 HB3 LYS A 8 50.525 -14.284 3.553 1.00 1.00 H new ATOM 0 HG2 LYS A 8 49.455 -16.669 2.087 1.00 1.00 H new ATOM 0 HG3 LYS A 8 49.801 -16.966 3.779 1.00 1.00 H new ATOM 0 HD2 LYS A 8 48.389 -15.031 4.445 1.00 1.00 H new ATOM 0 HD3 LYS A 8 48.107 -14.625 2.764 1.00 1.00 H new ATOM 0 HE2 LYS A 8 46.993 -16.834 2.398 1.00 1.00 H new ATOM 0 HE3 LYS A 8 47.311 -17.284 4.062 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 45.037 -16.261 3.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 45.829 -15.695 4.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 45.855 -14.774 3.445 1.00 1.00 H new ATOM 139 N ALA A 9 52.868 -15.613 0.094 1.00 1.00 N ATOM 140 CA ALA A 9 53.682 -16.613 -0.602 1.00 1.00 C ATOM 141 C ALA A 9 54.468 -15.953 -1.737 1.00 1.00 C ATOM 142 O ALA A 9 54.042 -14.936 -2.287 1.00 1.00 O ATOM 143 CB ALA A 9 52.785 -17.737 -1.161 1.00 1.00 C ATOM 0 H ALA A 9 53.162 -14.649 -0.063 1.00 1.00 H new ATOM 0 HA ALA A 9 54.385 -17.048 0.108 1.00 1.00 H new ATOM 0 HB1 ALA A 9 53.402 -18.473 -1.676 1.00 1.00 H new ATOM 0 HB2 ALA A 9 52.253 -18.219 -0.341 1.00 1.00 H new ATOM 0 HB3 ALA A 9 52.065 -17.314 -1.862 1.00 1.00 H new ATOM 149 N LYS A 10 55.611 -16.540 -2.087 1.00 1.00 N ATOM 150 CA LYS A 10 56.445 -16.003 -3.167 1.00 1.00 C ATOM 151 C LYS A 10 57.152 -17.160 -3.889 1.00 1.00 C ATOM 152 O LYS A 10 58.351 -17.381 -3.717 1.00 1.00 O ATOM 153 CB LYS A 10 57.471 -14.990 -2.586 1.00 1.00 C ATOM 154 CG LYS A 10 57.611 -13.779 -3.521 1.00 1.00 C ATOM 155 CD LYS A 10 58.601 -12.772 -2.920 1.00 1.00 C ATOM 156 CE LYS A 10 58.371 -11.391 -3.542 1.00 1.00 C ATOM 157 NZ LYS A 10 57.034 -10.881 -3.125 1.00 1.00 N ATOM 0 H LYS A 10 55.981 -17.381 -1.644 1.00 1.00 H new ATOM 0 HA LYS A 10 55.823 -15.475 -3.890 1.00 1.00 H new ATOM 0 HB2 LYS A 10 57.148 -14.660 -1.599 1.00 1.00 H new ATOM 0 HB3 LYS A 10 58.439 -15.474 -2.459 1.00 1.00 H new ATOM 0 HG2 LYS A 10 57.958 -14.103 -4.502 1.00 1.00 H new ATOM 0 HG3 LYS A 10 56.640 -13.306 -3.667 1.00 1.00 H new ATOM 0 HD2 LYS A 10 58.472 -12.721 -1.839 1.00 1.00 H new ATOM 0 HD3 LYS A 10 59.624 -13.099 -3.104 1.00 1.00 H new ATOM 0 HE2 LYS A 10 59.152 -10.701 -3.223 1.00 1.00 H new ATOM 0 HE3 LYS A 10 58.426 -11.455 -4.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 57.061 -9.843 -3.066 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 56.319 -11.170 -3.823 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 56.787 -11.274 -2.194 1.00 1.00 H new ATOM 171 N PRO A 11 56.422 -17.921 -4.670 1.00 1.00 N ATOM 172 CA PRO A 11 56.987 -19.093 -5.398 1.00 1.00 C ATOM 173 C PRO A 11 57.813 -18.699 -6.612 1.00 1.00 C ATOM 174 O PRO A 11 59.010 -18.971 -6.670 1.00 1.00 O ATOM 175 CB PRO A 11 55.742 -19.902 -5.797 1.00 1.00 C ATOM 176 CG PRO A 11 54.631 -18.903 -5.896 1.00 1.00 C ATOM 177 CD PRO A 11 54.983 -17.745 -4.947 1.00 1.00 C ATOM 0 HA PRO A 11 57.687 -19.656 -4.780 1.00 1.00 H new ATOM 0 HB2 PRO A 11 55.895 -20.415 -6.747 1.00 1.00 H new ATOM 0 HB3 PRO A 11 55.517 -20.667 -5.054 1.00 1.00 H new ATOM 0 HG2 PRO A 11 54.525 -18.544 -6.920 1.00 1.00 H new ATOM 0 HG3 PRO A 11 53.679 -19.355 -5.617 1.00 1.00 H new ATOM 0 HD2 PRO A 11 54.783 -16.778 -5.409 1.00 1.00 H new ATOM 0 HD3 PRO A 11 54.394 -17.789 -4.031 1.00 1.00 H new ATOM 185 N VAL A 12 57.144 -18.069 -7.563 1.00 1.00 N ATOM 186 CA VAL A 12 57.770 -17.628 -8.816 1.00 1.00 C ATOM 187 C VAL A 12 58.257 -18.818 -9.631 1.00 1.00 C ATOM 188 O VAL A 12 58.036 -18.894 -10.841 1.00 1.00 O ATOM 189 CB VAL A 12 58.934 -16.673 -8.530 1.00 1.00 C ATOM 190 CG1 VAL A 12 59.643 -16.326 -9.838 1.00 1.00 C ATOM 191 CG2 VAL A 12 58.386 -15.398 -7.890 1.00 1.00 C ATOM 0 H VAL A 12 56.151 -17.845 -7.496 1.00 1.00 H new ATOM 0 HA VAL A 12 57.016 -17.098 -9.398 1.00 1.00 H new ATOM 0 HB VAL A 12 59.644 -17.149 -7.853 1.00 1.00 H new ATOM 0 HG11 VAL A 12 60.471 -15.647 -9.634 1.00 1.00 H new ATOM 0 HG12 VAL A 12 60.026 -17.237 -10.297 1.00 1.00 H new ATOM 0 HG13 VAL A 12 58.939 -15.846 -10.517 1.00 1.00 H new ATOM 0 HG21 VAL A 12 59.208 -14.713 -7.683 1.00 1.00 H new ATOM 0 HG22 VAL A 12 57.680 -14.923 -8.572 1.00 1.00 H new ATOM 0 HG23 VAL A 12 57.878 -15.648 -6.958 1.00 1.00 H new ATOM 201 N THR A 13 58.912 -19.737 -8.960 1.00 1.00 N ATOM 202 CA THR A 13 59.436 -20.930 -9.607 1.00 1.00 C ATOM 203 C THR A 13 58.325 -21.946 -9.850 1.00 1.00 C ATOM 204 O THR A 13 58.500 -22.898 -10.608 1.00 1.00 O ATOM 205 CB THR A 13 60.526 -21.560 -8.737 1.00 1.00 C ATOM 206 OG1 THR A 13 61.496 -20.574 -8.409 1.00 1.00 O ATOM 207 CG2 THR A 13 61.193 -22.706 -9.499 1.00 1.00 C ATOM 0 H THR A 13 59.099 -19.685 -7.959 1.00 1.00 H new ATOM 0 HA THR A 13 59.860 -20.640 -10.568 1.00 1.00 H new ATOM 0 HB THR A 13 60.081 -21.950 -7.821 1.00 1.00 H new ATOM 0 HG1 THR A 13 62.194 -20.975 -7.850 1.00 1.00 H new ATOM 0 HG21 THR A 13 61.969 -23.153 -8.878 1.00 1.00 H new ATOM 0 HG22 THR A 13 60.447 -23.461 -9.747 1.00 1.00 H new ATOM 0 HG23 THR A 13 61.639 -22.322 -10.416 1.00 1.00 H new ATOM 215 N ARG A 14 57.183 -21.745 -9.193 1.00 1.00 N ATOM 216 CA ARG A 14 56.052 -22.677 -9.347 1.00 1.00 C ATOM 217 C ARG A 14 55.178 -22.285 -10.542 1.00 1.00 C ATOM 218 O ARG A 14 54.061 -22.779 -10.694 1.00 1.00 O ATOM 219 CB ARG A 14 55.200 -22.722 -8.060 1.00 1.00 C ATOM 220 CG ARG A 14 54.388 -24.033 -7.995 1.00 1.00 C ATOM 221 CD ARG A 14 55.219 -25.132 -7.330 1.00 1.00 C ATOM 222 NE ARG A 14 55.485 -24.793 -5.936 1.00 1.00 N ATOM 223 CZ ARG A 14 56.359 -25.486 -5.215 1.00 1.00 C ATOM 224 NH1 ARG A 14 56.985 -26.500 -5.748 1.00 1.00 N ATOM 225 NH2 ARG A 14 56.589 -25.158 -3.974 1.00 1.00 N ATOM 0 H ARG A 14 57.012 -20.964 -8.560 1.00 1.00 H new ATOM 0 HA ARG A 14 56.462 -23.670 -9.529 1.00 1.00 H new ATOM 0 HB2 ARG A 14 55.847 -22.644 -7.186 1.00 1.00 H new ATOM 0 HB3 ARG A 14 54.524 -21.867 -8.034 1.00 1.00 H new ATOM 0 HG2 ARG A 14 53.467 -23.872 -7.434 1.00 1.00 H new ATOM 0 HG3 ARG A 14 54.099 -24.342 -9.000 1.00 1.00 H new ATOM 0 HD2 ARG A 14 54.688 -26.082 -7.385 1.00 1.00 H new ATOM 0 HD3 ARG A 14 56.159 -25.261 -7.866 1.00 1.00 H new ATOM 0 HE ARG A 14 54.991 -24.010 -5.508 1.00 1.00 H new ATOM 0 HH11 ARG A 14 56.803 -26.759 -6.717 1.00 1.00 H new ATOM 0 HH12 ARG A 14 57.656 -27.033 -5.195 1.00 1.00 H new ATOM 0 HH21 ARG A 14 56.097 -24.368 -3.556 1.00 1.00 H new ATOM 0 HH22 ARG A 14 57.261 -25.691 -3.422 1.00 1.00 H new ATOM 239 N GLY A 15 55.688 -21.400 -11.394 1.00 1.00 N ATOM 240 CA GLY A 15 54.932 -20.970 -12.572 1.00 1.00 C ATOM 241 C GLY A 15 53.470 -20.710 -12.221 1.00 1.00 C ATOM 242 O GLY A 15 52.595 -20.854 -13.068 1.00 1.00 O ATOM 0 H GLY A 15 56.608 -20.970 -11.296 1.00 1.00 H new ATOM 0 HA2 GLY A 15 55.377 -20.064 -12.983 1.00 1.00 H new ATOM 0 HA3 GLY A 15 54.993 -21.735 -13.346 1.00 1.00 H new ATOM 246 N THR A 16 53.228 -20.331 -10.963 1.00 1.00 N ATOM 247 CA THR A 16 51.878 -20.046 -10.465 1.00 1.00 C ATOM 248 C THR A 16 50.992 -19.443 -11.554 1.00 1.00 C ATOM 249 O THR A 16 50.823 -18.226 -11.628 1.00 1.00 O ATOM 250 CB THR A 16 51.965 -19.060 -9.296 1.00 1.00 C ATOM 251 OG1 THR A 16 50.734 -18.361 -9.179 1.00 1.00 O ATOM 252 CG2 THR A 16 53.100 -18.063 -9.550 1.00 1.00 C ATOM 0 H THR A 16 53.960 -20.213 -10.262 1.00 1.00 H new ATOM 0 HA THR A 16 51.435 -20.988 -10.142 1.00 1.00 H new ATOM 0 HB THR A 16 52.164 -19.604 -8.373 1.00 1.00 H new ATOM 0 HG1 THR A 16 50.627 -17.756 -9.943 1.00 1.00 H new ATOM 0 HG21 THR A 16 53.161 -17.362 -8.718 1.00 1.00 H new ATOM 0 HG22 THR A 16 54.043 -18.601 -9.641 1.00 1.00 H new ATOM 0 HG23 THR A 16 52.904 -17.516 -10.472 1.00 1.00 H new ATOM 260 N GLY A 17 50.437 -20.305 -12.396 1.00 1.00 N ATOM 261 CA GLY A 17 49.573 -19.852 -13.489 1.00 1.00 C ATOM 262 C GLY A 17 48.277 -19.251 -12.956 1.00 1.00 C ATOM 263 O GLY A 17 48.217 -18.061 -12.645 1.00 1.00 O ATOM 0 H GLY A 17 50.566 -21.316 -12.348 1.00 1.00 H new ATOM 0 HA2 GLY A 17 50.100 -19.111 -14.089 1.00 1.00 H new ATOM 0 HA3 GLY A 17 49.344 -20.691 -14.147 1.00 1.00 H new ATOM 267 N ALA A 18 47.238 -20.074 -12.865 1.00 1.00 N ATOM 268 CA ALA A 18 45.948 -19.598 -12.379 1.00 1.00 C ATOM 269 C ALA A 18 45.021 -20.784 -12.057 1.00 1.00 C ATOM 270 O ALA A 18 45.206 -21.878 -12.592 1.00 1.00 O ATOM 271 CB ALA A 18 45.320 -18.688 -13.452 1.00 1.00 C ATOM 0 H ALA A 18 47.262 -21.062 -13.118 1.00 1.00 H new ATOM 0 HA ALA A 18 46.088 -19.030 -11.459 1.00 1.00 H new ATOM 0 HB1 ALA A 18 44.354 -18.325 -13.101 1.00 1.00 H new ATOM 0 HB2 ALA A 18 45.979 -17.841 -13.642 1.00 1.00 H new ATOM 0 HB3 ALA A 18 45.182 -19.254 -14.373 1.00 1.00 H new ATOM 277 N GLY A 19 44.031 -20.567 -11.180 1.00 1.00 N ATOM 278 CA GLY A 19 43.103 -21.627 -10.804 1.00 1.00 C ATOM 279 C GLY A 19 41.928 -21.069 -9.995 1.00 1.00 C ATOM 280 O GLY A 19 40.776 -21.175 -10.412 1.00 1.00 O ATOM 0 H GLY A 19 43.858 -19.671 -10.724 1.00 1.00 H new ATOM 0 HA2 GLY A 19 42.729 -22.122 -11.700 1.00 1.00 H new ATOM 0 HA3 GLY A 19 43.627 -22.382 -10.218 1.00 1.00 H new ATOM 284 N SER A 20 42.226 -20.477 -8.835 1.00 1.00 N ATOM 285 CA SER A 20 41.181 -19.908 -7.971 1.00 1.00 C ATOM 286 C SER A 20 41.165 -18.387 -8.071 1.00 1.00 C ATOM 287 O SER A 20 41.201 -17.685 -7.060 1.00 1.00 O ATOM 288 CB SER A 20 41.442 -20.306 -6.525 1.00 1.00 C ATOM 289 OG SER A 20 41.768 -21.689 -6.470 1.00 1.00 O ATOM 0 H SER A 20 43.174 -20.378 -8.472 1.00 1.00 H new ATOM 0 HA SER A 20 40.216 -20.295 -8.299 1.00 1.00 H new ATOM 0 HB2 SER A 20 42.258 -19.712 -6.114 1.00 1.00 H new ATOM 0 HB3 SER A 20 40.561 -20.104 -5.915 1.00 1.00 H new ATOM 0 HG SER A 20 41.938 -21.948 -5.540 1.00 1.00 H new ATOM 295 N ARG A 21 41.125 -17.890 -9.296 1.00 1.00 N ATOM 296 CA ARG A 21 41.122 -16.443 -9.523 1.00 1.00 C ATOM 297 C ARG A 21 39.841 -15.774 -8.992 1.00 1.00 C ATOM 298 O ARG A 21 39.904 -14.672 -8.449 1.00 1.00 O ATOM 299 CB ARG A 21 41.291 -16.117 -11.023 1.00 1.00 C ATOM 300 CG ARG A 21 42.237 -17.140 -11.703 1.00 1.00 C ATOM 301 CD ARG A 21 41.425 -18.179 -12.488 1.00 1.00 C ATOM 302 NE ARG A 21 42.318 -19.075 -13.213 1.00 1.00 N ATOM 303 CZ ARG A 21 41.884 -19.784 -14.252 1.00 1.00 C ATOM 304 NH1 ARG A 21 40.641 -19.685 -14.638 1.00 1.00 N ATOM 305 NH2 ARG A 21 42.701 -20.577 -14.887 1.00 1.00 N ATOM 0 H ARG A 21 41.094 -18.455 -10.145 1.00 1.00 H new ATOM 0 HA ARG A 21 41.970 -16.040 -8.968 1.00 1.00 H new ATOM 0 HB2 ARG A 21 40.318 -16.131 -11.515 1.00 1.00 H new ATOM 0 HB3 ARG A 21 41.693 -15.110 -11.138 1.00 1.00 H new ATOM 0 HG2 ARG A 21 42.922 -16.622 -12.374 1.00 1.00 H new ATOM 0 HG3 ARG A 21 42.846 -17.639 -10.949 1.00 1.00 H new ATOM 0 HD2 ARG A 21 40.799 -18.753 -11.805 1.00 1.00 H new ATOM 0 HD3 ARG A 21 40.757 -17.676 -13.187 1.00 1.00 H new ATOM 0 HE ARG A 21 43.291 -19.160 -12.919 1.00 1.00 H new ATOM 0 HH11 ARG A 21 40.001 -19.064 -14.143 1.00 1.00 H new ATOM 0 HH12 ARG A 21 40.309 -20.229 -15.435 1.00 1.00 H new ATOM 0 HH21 ARG A 21 43.673 -20.654 -14.587 1.00 1.00 H new ATOM 0 HH22 ARG A 21 42.368 -21.120 -15.683 1.00 1.00 H new ATOM 319 N PRO A 22 38.688 -16.385 -9.154 1.00 1.00 N ATOM 320 CA PRO A 22 37.400 -15.789 -8.694 1.00 1.00 C ATOM 321 C PRO A 22 37.096 -16.107 -7.234 1.00 1.00 C ATOM 322 O PRO A 22 36.219 -15.504 -6.612 1.00 1.00 O ATOM 323 CB PRO A 22 36.380 -16.425 -9.639 1.00 1.00 C ATOM 324 CG PRO A 22 36.944 -17.778 -9.983 1.00 1.00 C ATOM 325 CD PRO A 22 38.472 -17.705 -9.773 1.00 1.00 C ATOM 0 HA PRO A 22 37.403 -14.700 -8.727 1.00 1.00 H new ATOM 0 HB2 PRO A 22 35.405 -16.516 -9.161 1.00 1.00 H new ATOM 0 HB3 PRO A 22 36.241 -15.818 -10.534 1.00 1.00 H new ATOM 0 HG2 PRO A 22 36.505 -18.549 -9.350 1.00 1.00 H new ATOM 0 HG3 PRO A 22 36.710 -18.041 -11.015 1.00 1.00 H new ATOM 0 HD2 PRO A 22 38.824 -18.510 -9.128 1.00 1.00 H new ATOM 0 HD3 PRO A 22 39.009 -17.795 -10.717 1.00 1.00 H new ATOM 333 N ARG A 23 37.838 -17.058 -6.714 1.00 1.00 N ATOM 334 CA ARG A 23 37.689 -17.499 -5.324 1.00 1.00 C ATOM 335 C ARG A 23 36.223 -17.862 -5.046 1.00 1.00 C ATOM 336 O ARG A 23 35.337 -17.548 -5.841 1.00 1.00 O ATOM 337 CB ARG A 23 38.149 -16.379 -4.378 1.00 1.00 C ATOM 338 CG ARG A 23 38.448 -16.956 -2.988 1.00 1.00 C ATOM 339 CD ARG A 23 38.973 -15.851 -2.070 1.00 1.00 C ATOM 340 NE ARG A 23 39.373 -16.414 -0.786 1.00 1.00 N ATOM 341 CZ ARG A 23 39.962 -15.665 0.139 1.00 1.00 C ATOM 342 NH1 ARG A 23 40.191 -14.402 -0.095 1.00 1.00 N ATOM 343 NH2 ARG A 23 40.303 -16.188 1.285 1.00 1.00 N ATOM 0 H ARG A 23 38.563 -17.554 -7.232 1.00 1.00 H new ATOM 0 HA ARG A 23 38.305 -18.382 -5.155 1.00 1.00 H new ATOM 0 HB2 ARG A 23 39.040 -15.896 -4.779 1.00 1.00 H new ATOM 0 HB3 ARG A 23 37.377 -15.614 -4.305 1.00 1.00 H new ATOM 0 HG2 ARG A 23 37.545 -17.395 -2.564 1.00 1.00 H new ATOM 0 HG3 ARG A 23 39.184 -17.756 -3.067 1.00 1.00 H new ATOM 0 HD2 ARG A 23 39.822 -15.352 -2.537 1.00 1.00 H new ATOM 0 HD3 ARG A 23 38.202 -15.095 -1.920 1.00 1.00 H new ATOM 0 HE ARG A 23 39.197 -17.400 -0.595 1.00 1.00 H new ATOM 0 HH11 ARG A 23 39.918 -13.991 -0.988 1.00 1.00 H new ATOM 0 HH12 ARG A 23 40.643 -13.826 0.615 1.00 1.00 H new ATOM 0 HH21 ARG A 23 40.117 -17.173 1.471 1.00 1.00 H new ATOM 0 HH22 ARG A 23 40.755 -15.611 1.994 1.00 1.00 H new ATOM 357 N GLY A 24 35.974 -18.528 -3.919 1.00 1.00 N ATOM 358 CA GLY A 24 34.627 -18.930 -3.554 1.00 1.00 C ATOM 359 C GLY A 24 33.856 -17.767 -2.969 1.00 1.00 C ATOM 360 O GLY A 24 34.417 -16.855 -2.362 1.00 1.00 O ATOM 0 H GLY A 24 36.692 -18.798 -3.246 1.00 1.00 H new ATOM 0 HA2 GLY A 24 34.106 -19.311 -4.432 1.00 1.00 H new ATOM 0 HA3 GLY A 24 34.670 -19.744 -2.830 1.00 1.00 H new ATOM 364 N GLN A 25 32.562 -17.825 -3.172 1.00 1.00 N ATOM 365 CA GLN A 25 31.658 -16.788 -2.684 1.00 1.00 C ATOM 366 C GLN A 25 30.199 -17.227 -2.821 1.00 1.00 C ATOM 367 O GLN A 25 29.474 -16.728 -3.681 1.00 1.00 O ATOM 368 CB GLN A 25 31.886 -15.490 -3.477 1.00 1.00 C ATOM 369 CG GLN A 25 32.261 -15.816 -4.933 1.00 1.00 C ATOM 370 CD GLN A 25 31.300 -16.846 -5.523 1.00 1.00 C ATOM 371 OE1 GLN A 25 31.476 -18.050 -5.324 1.00 1.00 O ATOM 372 NE2 GLN A 25 30.282 -16.444 -6.235 1.00 1.00 N ATOM 0 H GLN A 25 32.100 -18.582 -3.675 1.00 1.00 H new ATOM 0 HA GLN A 25 31.867 -16.616 -1.628 1.00 1.00 H new ATOM 0 HB2 GLN A 25 30.984 -14.878 -3.454 1.00 1.00 H new ATOM 0 HB3 GLN A 25 32.680 -14.905 -3.012 1.00 1.00 H new ATOM 0 HG2 GLN A 25 32.238 -14.906 -5.532 1.00 1.00 H new ATOM 0 HG3 GLN A 25 33.281 -16.198 -4.974 1.00 1.00 H new ATOM 0 HE21 GLN A 25 30.136 -15.448 -6.400 1.00 1.00 H new ATOM 0 HE22 GLN A 25 29.632 -17.126 -6.627 1.00 1.00 H new ATOM 381 N ASN A 26 29.767 -18.153 -1.968 1.00 1.00 N ATOM 382 CA ASN A 26 28.390 -18.633 -2.020 1.00 1.00 C ATOM 383 C ASN A 26 28.009 -19.384 -0.740 1.00 1.00 C ATOM 384 O ASN A 26 28.257 -20.583 -0.615 1.00 1.00 O ATOM 385 CB ASN A 26 28.207 -19.556 -3.235 1.00 1.00 C ATOM 386 CG ASN A 26 28.045 -18.733 -4.510 1.00 1.00 C ATOM 387 OD1 ASN A 26 27.329 -17.642 -4.483 1.00 1.00 O flip ATOM 388 ND2 ASN A 26 28.581 -19.095 -5.558 1.00 1.00 N flip ATOM 0 H ASN A 26 30.342 -18.581 -1.242 1.00 1.00 H new ATOM 0 HA ASN A 26 27.735 -17.767 -2.111 1.00 1.00 H new ATOM 0 HB2 ASN A 26 29.068 -20.218 -3.329 1.00 1.00 H new ATOM 0 HB3 ASN A 26 27.332 -20.189 -3.090 1.00 1.00 H new ATOM 0 HD21 ASN A 26 29.140 -19.948 -5.577 1.00 1.00 H new ATOM 0 HD22 ASN A 26 28.466 -18.542 -6.407 1.00 1.00 H new ATOM 395 N LYS A 27 27.387 -18.671 0.203 1.00 1.00 N ATOM 396 CA LYS A 27 26.952 -19.275 1.469 1.00 1.00 C ATOM 397 C LYS A 27 25.573 -18.757 1.903 1.00 1.00 C ATOM 398 O LYS A 27 24.930 -19.374 2.753 1.00 1.00 O ATOM 399 CB LYS A 27 27.971 -18.988 2.592 1.00 1.00 C ATOM 400 CG LYS A 27 27.854 -20.062 3.708 1.00 1.00 C ATOM 401 CD LYS A 27 28.072 -19.432 5.093 1.00 1.00 C ATOM 402 CE LYS A 27 29.500 -18.900 5.209 1.00 1.00 C ATOM 403 NZ LYS A 27 29.768 -18.519 6.625 1.00 1.00 N ATOM 0 H LYS A 27 27.173 -17.678 0.116 1.00 1.00 H new ATOM 0 HA LYS A 27 26.885 -20.349 1.299 1.00 1.00 H new ATOM 0 HB2 LYS A 27 28.982 -18.985 2.184 1.00 1.00 H new ATOM 0 HB3 LYS A 27 27.793 -17.997 3.010 1.00 1.00 H new ATOM 0 HG2 LYS A 27 26.871 -20.531 3.667 1.00 1.00 H new ATOM 0 HG3 LYS A 27 28.590 -20.849 3.541 1.00 1.00 H new ATOM 0 HD2 LYS A 27 27.360 -18.622 5.249 1.00 1.00 H new ATOM 0 HD3 LYS A 27 27.887 -20.173 5.871 1.00 1.00 H new ATOM 0 HE2 LYS A 27 30.211 -19.659 4.883 1.00 1.00 H new ATOM 0 HE3 LYS A 27 29.634 -18.037 4.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 30.759 -18.220 6.722 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 29.142 -17.735 6.898 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 29.590 -19.336 7.244 1.00 1.00 H new ATOM 417 N GLU A 28 25.127 -17.621 1.340 1.00 1.00 N ATOM 418 CA GLU A 28 23.824 -17.039 1.707 1.00 1.00 C ATOM 419 C GLU A 28 23.550 -17.206 3.201 1.00 1.00 C ATOM 420 O GLU A 28 23.070 -18.246 3.653 1.00 1.00 O ATOM 421 CB GLU A 28 22.678 -17.652 0.877 1.00 1.00 C ATOM 422 CG GLU A 28 22.831 -19.174 0.758 1.00 1.00 C ATOM 423 CD GLU A 28 21.654 -19.754 -0.022 1.00 1.00 C ATOM 424 OE1 GLU A 28 20.569 -19.205 0.081 1.00 1.00 O ATOM 425 OE2 GLU A 28 21.856 -20.740 -0.712 1.00 1.00 O ATOM 0 H GLU A 28 25.643 -17.092 0.637 1.00 1.00 H new ATOM 0 HA GLU A 28 23.869 -15.973 1.482 1.00 1.00 H new ATOM 0 HB2 GLU A 28 21.721 -17.415 1.343 1.00 1.00 H new ATOM 0 HB3 GLU A 28 22.667 -17.206 -0.118 1.00 1.00 H new ATOM 0 HG2 GLU A 28 23.767 -19.416 0.255 1.00 1.00 H new ATOM 0 HG3 GLU A 28 22.878 -19.622 1.750 1.00 1.00 H new ATOM 432 N ARG A 29 23.868 -16.157 3.960 1.00 1.00 N ATOM 433 CA ARG A 29 23.672 -16.158 5.405 1.00 1.00 C ATOM 434 C ARG A 29 24.443 -14.988 6.051 1.00 1.00 C ATOM 435 O ARG A 29 23.910 -14.308 6.927 1.00 1.00 O ATOM 436 CB ARG A 29 24.099 -17.528 6.008 1.00 1.00 C ATOM 437 CG ARG A 29 24.809 -17.348 7.363 1.00 1.00 C ATOM 438 CD ARG A 29 24.971 -18.701 8.057 1.00 1.00 C ATOM 439 NE ARG A 29 25.392 -18.502 9.439 1.00 1.00 N ATOM 440 CZ ARG A 29 26.586 -17.991 9.729 1.00 1.00 C ATOM 441 NH1 ARG A 29 27.423 -17.695 8.773 1.00 1.00 N ATOM 442 NH2 ARG A 29 26.928 -17.800 10.972 1.00 1.00 N ATOM 0 H ARG A 29 24.265 -15.292 3.593 1.00 1.00 H new ATOM 0 HA ARG A 29 22.613 -16.017 5.621 1.00 1.00 H new ATOM 0 HB2 ARG A 29 23.221 -18.160 6.137 1.00 1.00 H new ATOM 0 HB3 ARG A 29 24.763 -18.042 5.313 1.00 1.00 H new ATOM 0 HG2 ARG A 29 25.786 -16.889 7.212 1.00 1.00 H new ATOM 0 HG3 ARG A 29 24.234 -16.672 7.996 1.00 1.00 H new ATOM 0 HD2 ARG A 29 24.029 -19.249 8.030 1.00 1.00 H new ATOM 0 HD3 ARG A 29 25.707 -19.306 7.527 1.00 1.00 H new ATOM 0 HE ARG A 29 24.760 -18.759 10.197 1.00 1.00 H new ATOM 0 HH11 ARG A 29 27.163 -17.855 7.800 1.00 1.00 H new ATOM 0 HH12 ARG A 29 28.337 -17.303 8.999 1.00 1.00 H new ATOM 0 HH21 ARG A 29 26.281 -18.042 11.722 1.00 1.00 H new ATOM 0 HH22 ARG A 29 27.843 -17.408 11.195 1.00 1.00 H new ATOM 456 N PRO A 30 25.676 -14.744 5.657 1.00 1.00 N ATOM 457 CA PRO A 30 26.488 -13.644 6.245 1.00 1.00 C ATOM 458 C PRO A 30 26.196 -12.296 5.573 1.00 1.00 C ATOM 459 O PRO A 30 25.602 -12.262 4.497 1.00 1.00 O ATOM 460 CB PRO A 30 27.928 -14.107 5.990 1.00 1.00 C ATOM 461 CG PRO A 30 27.865 -14.921 4.730 1.00 1.00 C ATOM 462 CD PRO A 30 26.431 -15.474 4.619 1.00 1.00 C ATOM 0 HA PRO A 30 26.274 -13.473 7.300 1.00 1.00 H new ATOM 0 HB2 PRO A 30 28.600 -13.257 5.876 1.00 1.00 H new ATOM 0 HB3 PRO A 30 28.304 -14.701 6.823 1.00 1.00 H new ATOM 0 HG2 PRO A 30 28.110 -14.308 3.863 1.00 1.00 H new ATOM 0 HG3 PRO A 30 28.590 -15.734 4.760 1.00 1.00 H new ATOM 0 HD2 PRO A 30 26.013 -15.300 3.627 1.00 1.00 H new ATOM 0 HD3 PRO A 30 26.405 -16.550 4.791 1.00 1.00 H new ATOM 470 N PRO A 31 26.592 -11.197 6.182 1.00 1.00 N ATOM 471 CA PRO A 31 26.362 -9.833 5.610 1.00 1.00 C ATOM 472 C PRO A 31 26.680 -9.769 4.106 1.00 1.00 C ATOM 473 O PRO A 31 27.056 -10.774 3.505 1.00 1.00 O ATOM 474 CB PRO A 31 27.309 -8.938 6.420 1.00 1.00 C ATOM 475 CG PRO A 31 27.467 -9.624 7.741 1.00 1.00 C ATOM 476 CD PRO A 31 27.289 -11.127 7.485 1.00 1.00 C ATOM 0 HA PRO A 31 25.318 -9.527 5.682 1.00 1.00 H new ATOM 0 HB2 PRO A 31 28.270 -8.826 5.918 1.00 1.00 H new ATOM 0 HB3 PRO A 31 26.895 -7.937 6.543 1.00 1.00 H new ATOM 0 HG2 PRO A 31 28.448 -9.418 8.168 1.00 1.00 H new ATOM 0 HG3 PRO A 31 26.727 -9.263 8.455 1.00 1.00 H new ATOM 0 HD2 PRO A 31 28.250 -11.641 7.450 1.00 1.00 H new ATOM 0 HD3 PRO A 31 26.704 -11.598 8.275 1.00 1.00 H new ATOM 484 N PRO A 32 26.547 -8.617 3.489 1.00 1.00 N ATOM 485 CA PRO A 32 26.828 -8.455 2.027 1.00 1.00 C ATOM 486 C PRO A 32 28.294 -8.736 1.675 1.00 1.00 C ATOM 487 O PRO A 32 28.791 -8.268 0.653 1.00 1.00 O ATOM 488 CB PRO A 32 26.455 -6.984 1.729 1.00 1.00 C ATOM 489 CG PRO A 32 25.633 -6.535 2.898 1.00 1.00 C ATOM 490 CD PRO A 32 26.126 -7.342 4.095 1.00 1.00 C ATOM 0 HA PRO A 32 26.259 -9.167 1.429 1.00 1.00 H new ATOM 0 HB2 PRO A 32 27.347 -6.368 1.617 1.00 1.00 H new ATOM 0 HB3 PRO A 32 25.892 -6.902 0.799 1.00 1.00 H new ATOM 0 HG2 PRO A 32 25.754 -5.466 3.072 1.00 1.00 H new ATOM 0 HG3 PRO A 32 24.572 -6.711 2.719 1.00 1.00 H new ATOM 0 HD2 PRO A 32 26.952 -6.845 4.603 1.00 1.00 H new ATOM 0 HD3 PRO A 32 25.339 -7.488 4.834 1.00 1.00 H new ATOM 498 N VAL A 33 28.979 -9.496 2.528 1.00 1.00 N ATOM 499 CA VAL A 33 30.385 -9.824 2.293 1.00 1.00 C ATOM 500 C VAL A 33 30.729 -11.189 2.921 1.00 1.00 C ATOM 501 O VAL A 33 30.947 -11.271 4.129 1.00 1.00 O ATOM 502 CB VAL A 33 31.281 -8.737 2.909 1.00 1.00 C ATOM 503 CG1 VAL A 33 32.748 -9.163 2.810 1.00 1.00 C ATOM 504 CG2 VAL A 33 31.089 -7.419 2.146 1.00 1.00 C ATOM 0 H VAL A 33 28.588 -9.894 3.382 1.00 1.00 H new ATOM 0 HA VAL A 33 30.557 -9.875 1.218 1.00 1.00 H new ATOM 0 HB VAL A 33 31.009 -8.599 3.955 1.00 1.00 H new ATOM 0 HG11 VAL A 33 33.381 -8.391 3.247 1.00 1.00 H new ATOM 0 HG12 VAL A 33 32.892 -10.099 3.349 1.00 1.00 H new ATOM 0 HG13 VAL A 33 33.016 -9.303 1.763 1.00 1.00 H new ATOM 0 HG21 VAL A 33 31.725 -6.649 2.584 1.00 1.00 H new ATOM 0 HG22 VAL A 33 31.360 -7.561 1.100 1.00 1.00 H new ATOM 0 HG23 VAL A 33 30.046 -7.109 2.212 1.00 1.00 H new ATOM 514 N PRO A 34 30.796 -12.254 2.141 1.00 1.00 N ATOM 515 CA PRO A 34 31.140 -13.617 2.671 1.00 1.00 C ATOM 516 C PRO A 34 32.476 -13.609 3.420 1.00 1.00 C ATOM 517 O PRO A 34 33.322 -12.749 3.177 1.00 1.00 O ATOM 518 CB PRO A 34 31.213 -14.503 1.412 1.00 1.00 C ATOM 519 CG PRO A 34 30.423 -13.779 0.366 1.00 1.00 C ATOM 520 CD PRO A 34 30.543 -12.289 0.688 1.00 1.00 C ATOM 0 HA PRO A 34 30.407 -13.975 3.394 1.00 1.00 H new ATOM 0 HB2 PRO A 34 32.245 -14.648 1.094 1.00 1.00 H new ATOM 0 HB3 PRO A 34 30.797 -15.492 1.604 1.00 1.00 H new ATOM 0 HG2 PRO A 34 30.810 -13.993 -0.630 1.00 1.00 H new ATOM 0 HG3 PRO A 34 29.380 -14.096 0.378 1.00 1.00 H new ATOM 0 HD2 PRO A 34 31.357 -11.825 0.130 1.00 1.00 H new ATOM 0 HD3 PRO A 34 29.631 -11.751 0.429 1.00 1.00 H new ATOM 528 N ASN A 35 32.659 -14.559 4.340 1.00 1.00 N ATOM 529 CA ASN A 35 33.898 -14.613 5.111 1.00 1.00 C ATOM 530 C ASN A 35 35.043 -15.183 4.259 1.00 1.00 C ATOM 531 O ASN A 35 36.148 -14.639 4.254 1.00 1.00 O ATOM 532 CB ASN A 35 33.698 -15.480 6.374 1.00 1.00 C ATOM 533 CG ASN A 35 34.040 -14.706 7.650 1.00 1.00 C ATOM 534 OD1 ASN A 35 35.199 -14.676 8.067 1.00 1.00 O ATOM 535 ND2 ASN A 35 33.096 -14.077 8.295 1.00 1.00 N ATOM 0 H ASN A 35 31.980 -15.286 4.565 1.00 1.00 H new ATOM 0 HA ASN A 35 34.162 -13.599 5.411 1.00 1.00 H new ATOM 0 HB2 ASN A 35 32.664 -15.822 6.421 1.00 1.00 H new ATOM 0 HB3 ASN A 35 34.325 -16.369 6.308 1.00 1.00 H new ATOM 0 HD21 ASN A 35 33.317 -13.559 9.146 1.00 1.00 H new ATOM 0 HD22 ASN A 35 32.137 -14.103 7.948 1.00 1.00 H new ATOM 542 N PRO A 36 34.805 -16.274 3.565 1.00 1.00 N ATOM 543 CA PRO A 36 35.848 -16.937 2.724 1.00 1.00 C ATOM 544 C PRO A 36 36.359 -16.019 1.621 1.00 1.00 C ATOM 545 O PRO A 36 37.462 -16.209 1.109 1.00 1.00 O ATOM 546 CB PRO A 36 35.137 -18.183 2.147 1.00 1.00 C ATOM 547 CG PRO A 36 33.940 -18.390 3.023 1.00 1.00 C ATOM 548 CD PRO A 36 33.525 -16.997 3.495 1.00 1.00 C ATOM 0 HA PRO A 36 36.735 -17.196 3.301 1.00 1.00 H new ATOM 0 HB2 PRO A 36 34.843 -18.024 1.109 1.00 1.00 H new ATOM 0 HB3 PRO A 36 35.793 -19.054 2.163 1.00 1.00 H new ATOM 0 HG2 PRO A 36 33.132 -18.874 2.474 1.00 1.00 H new ATOM 0 HG3 PRO A 36 34.181 -19.034 3.869 1.00 1.00 H new ATOM 0 HD2 PRO A 36 32.833 -16.525 2.798 1.00 1.00 H new ATOM 0 HD3 PRO A 36 33.028 -17.031 4.464 1.00 1.00 H new ATOM 556 N ASP A 37 35.563 -15.023 1.268 1.00 1.00 N ATOM 557 CA ASP A 37 35.970 -14.089 0.229 1.00 1.00 C ATOM 558 C ASP A 37 37.209 -13.326 0.687 1.00 1.00 C ATOM 559 O ASP A 37 38.078 -13.006 -0.125 1.00 1.00 O ATOM 560 CB ASP A 37 34.834 -13.109 -0.123 1.00 1.00 C ATOM 561 CG ASP A 37 35.276 -12.179 -1.250 1.00 1.00 C ATOM 562 OD1 ASP A 37 36.438 -12.228 -1.615 1.00 1.00 O ATOM 563 OD2 ASP A 37 34.441 -11.432 -1.734 1.00 1.00 O ATOM 0 H ASP A 37 34.646 -14.841 1.677 1.00 1.00 H new ATOM 0 HA ASP A 37 36.205 -14.656 -0.672 1.00 1.00 H new ATOM 0 HB2 ASP A 37 33.945 -13.663 -0.425 1.00 1.00 H new ATOM 0 HB3 ASP A 37 34.562 -12.525 0.756 1.00 1.00 H new ATOM 568 N TYR A 38 37.301 -13.049 1.995 1.00 1.00 N ATOM 569 CA TYR A 38 38.460 -12.329 2.524 1.00 1.00 C ATOM 570 C TYR A 38 38.387 -12.200 4.051 1.00 1.00 C ATOM 571 O TYR A 38 37.843 -11.222 4.566 1.00 1.00 O ATOM 572 CB TYR A 38 38.546 -10.914 1.895 1.00 1.00 C ATOM 573 CG TYR A 38 39.990 -10.457 1.832 1.00 1.00 C ATOM 574 CD1 TYR A 38 40.893 -11.124 0.996 1.00 1.00 C ATOM 575 CD2 TYR A 38 40.423 -9.374 2.608 1.00 1.00 C ATOM 576 CE1 TYR A 38 42.228 -10.709 0.934 1.00 1.00 C ATOM 577 CE2 TYR A 38 41.759 -8.960 2.547 1.00 1.00 C ATOM 578 CZ TYR A 38 42.662 -9.627 1.710 1.00 1.00 C ATOM 579 OH TYR A 38 43.979 -9.220 1.650 1.00 1.00 O ATOM 0 H TYR A 38 36.601 -13.307 2.691 1.00 1.00 H new ATOM 0 HA TYR A 38 39.350 -12.902 2.265 1.00 1.00 H new ATOM 0 HB2 TYR A 38 38.117 -10.927 0.893 1.00 1.00 H new ATOM 0 HB3 TYR A 38 37.959 -10.210 2.484 1.00 1.00 H new ATOM 0 HD1 TYR A 38 40.559 -11.959 0.398 1.00 1.00 H new ATOM 0 HD2 TYR A 38 39.727 -8.859 3.253 1.00 1.00 H new ATOM 0 HE1 TYR A 38 42.924 -11.223 0.288 1.00 1.00 H new ATOM 0 HE2 TYR A 38 42.093 -8.126 3.146 1.00 1.00 H new ATOM 0 HH TYR A 38 44.113 -8.456 2.249 1.00 1.00 H new ATOM 589 N GLU A 39 38.959 -13.164 4.781 1.00 1.00 N ATOM 590 CA GLU A 39 38.961 -13.085 6.252 1.00 1.00 C ATOM 591 C GLU A 39 40.298 -13.574 6.839 1.00 1.00 C ATOM 592 O GLU A 39 40.340 -14.564 7.565 1.00 1.00 O ATOM 593 CB GLU A 39 37.779 -13.896 6.834 1.00 1.00 C ATOM 594 CG GLU A 39 37.978 -15.426 6.678 1.00 1.00 C ATOM 595 CD GLU A 39 38.826 -15.762 5.452 1.00 1.00 C ATOM 596 OE1 GLU A 39 38.306 -15.663 4.353 1.00 1.00 O ATOM 597 OE2 GLU A 39 39.981 -16.114 5.633 1.00 1.00 O ATOM 0 H GLU A 39 39.416 -13.989 4.393 1.00 1.00 H new ATOM 0 HA GLU A 39 38.841 -12.039 6.534 1.00 1.00 H new ATOM 0 HB2 GLU A 39 37.661 -13.654 7.890 1.00 1.00 H new ATOM 0 HB3 GLU A 39 36.857 -13.599 6.334 1.00 1.00 H new ATOM 0 HG2 GLU A 39 38.457 -15.824 7.572 1.00 1.00 H new ATOM 0 HG3 GLU A 39 37.006 -15.913 6.593 1.00 1.00 H new ATOM 604 N PRO A 40 41.394 -12.901 6.545 1.00 1.00 N ATOM 605 CA PRO A 40 42.744 -13.292 7.066 1.00 1.00 C ATOM 606 C PRO A 40 42.894 -13.048 8.575 1.00 1.00 C ATOM 607 O PRO A 40 44.011 -12.955 9.086 1.00 1.00 O ATOM 608 CB PRO A 40 43.733 -12.415 6.253 1.00 1.00 C ATOM 609 CG PRO A 40 42.917 -11.777 5.166 1.00 1.00 C ATOM 610 CD PRO A 40 41.490 -11.702 5.698 1.00 1.00 C ATOM 0 HA PRO A 40 42.924 -14.360 6.946 1.00 1.00 H new ATOM 0 HB2 PRO A 40 44.198 -11.660 6.887 1.00 1.00 H new ATOM 0 HB3 PRO A 40 44.538 -13.019 5.834 1.00 1.00 H new ATOM 0 HG2 PRO A 40 43.296 -10.784 4.926 1.00 1.00 H new ATOM 0 HG3 PRO A 40 42.961 -12.365 4.249 1.00 1.00 H new ATOM 0 HD2 PRO A 40 41.319 -10.789 6.268 1.00 1.00 H new ATOM 0 HD3 PRO A 40 40.757 -11.717 4.892 1.00 1.00 H new ATOM 618 N ILE A 41 41.767 -12.937 9.272 1.00 1.00 N ATOM 619 CA ILE A 41 41.765 -12.689 10.722 1.00 1.00 C ATOM 620 C ILE A 41 41.055 -13.822 11.470 1.00 1.00 C ATOM 621 O ILE A 41 40.664 -13.660 12.625 1.00 1.00 O ATOM 622 CB ILE A 41 41.058 -11.344 11.022 1.00 1.00 C ATOM 623 CG1 ILE A 41 41.398 -10.309 9.915 1.00 1.00 C ATOM 624 CG2 ILE A 41 41.519 -10.805 12.391 1.00 1.00 C ATOM 625 CD1 ILE A 41 40.327 -10.327 8.814 1.00 1.00 C ATOM 0 H ILE A 41 40.837 -13.014 8.860 1.00 1.00 H new ATOM 0 HA ILE A 41 42.799 -12.644 11.064 1.00 1.00 H new ATOM 0 HB ILE A 41 39.980 -11.507 11.042 1.00 1.00 H new ATOM 0 HG12 ILE A 41 41.464 -9.312 10.350 1.00 1.00 H new ATOM 0 HG13 ILE A 41 42.374 -10.535 9.485 1.00 1.00 H new ATOM 0 HG21 ILE A 41 41.019 -9.859 12.597 1.00 1.00 H new ATOM 0 HG22 ILE A 41 41.267 -11.525 13.169 1.00 1.00 H new ATOM 0 HG23 ILE A 41 42.598 -10.649 12.376 1.00 1.00 H new ATOM 0 HD11 ILE A 41 40.581 -9.596 8.047 1.00 1.00 H new ATOM 0 HD12 ILE A 41 40.281 -11.320 8.367 1.00 1.00 H new ATOM 0 HD13 ILE A 41 39.358 -10.078 9.245 1.00 1.00 H new ATOM 637 N ARG A 42 40.884 -14.966 10.807 1.00 1.00 N ATOM 638 CA ARG A 42 40.210 -16.119 11.423 1.00 1.00 C ATOM 639 C ARG A 42 41.091 -17.360 11.350 1.00 1.00 C ATOM 640 O ARG A 42 40.625 -18.473 11.589 1.00 1.00 O ATOM 641 CB ARG A 42 38.882 -16.404 10.707 1.00 1.00 C ATOM 642 CG ARG A 42 38.057 -15.116 10.559 1.00 1.00 C ATOM 643 CD ARG A 42 37.499 -14.679 11.917 1.00 1.00 C ATOM 644 NE ARG A 42 36.785 -15.781 12.555 1.00 1.00 N ATOM 645 CZ ARG A 42 36.216 -15.630 13.746 1.00 1.00 C ATOM 646 NH1 ARG A 42 36.299 -14.486 14.366 1.00 1.00 N ATOM 647 NH2 ARG A 42 35.574 -16.625 14.296 1.00 1.00 N ATOM 0 H ARG A 42 41.199 -15.123 9.850 1.00 1.00 H new ATOM 0 HA ARG A 42 40.018 -15.877 12.468 1.00 1.00 H new ATOM 0 HB2 ARG A 42 39.078 -16.831 9.724 1.00 1.00 H new ATOM 0 HB3 ARG A 42 38.312 -17.144 11.268 1.00 1.00 H new ATOM 0 HG2 ARG A 42 38.679 -14.324 10.143 1.00 1.00 H new ATOM 0 HG3 ARG A 42 37.238 -15.280 9.858 1.00 1.00 H new ATOM 0 HD2 ARG A 42 38.313 -14.344 12.560 1.00 1.00 H new ATOM 0 HD3 ARG A 42 36.827 -13.831 11.785 1.00 1.00 H new ATOM 0 HE ARG A 42 36.722 -16.681 12.079 1.00 1.00 H new ATOM 0 HH11 ARG A 42 36.800 -13.708 13.937 1.00 1.00 H new ATOM 0 HH12 ARG A 42 35.863 -14.369 15.280 1.00 1.00 H new ATOM 0 HH21 ARG A 42 35.509 -17.520 13.811 1.00 1.00 H new ATOM 0 HH22 ARG A 42 35.138 -16.507 15.210 1.00 1.00 H new ATOM 661 N LYS A 43 42.362 -17.163 11.011 1.00 1.00 N ATOM 662 CA LYS A 43 43.312 -18.276 10.894 1.00 1.00 C ATOM 663 C LYS A 43 44.540 -18.057 11.774 1.00 1.00 C ATOM 664 O LYS A 43 45.676 -18.208 11.327 1.00 1.00 O ATOM 665 CB LYS A 43 43.735 -18.435 9.436 1.00 1.00 C ATOM 666 CG LYS A 43 44.400 -17.140 8.935 1.00 1.00 C ATOM 667 CD LYS A 43 44.357 -17.075 7.400 1.00 1.00 C ATOM 668 CE LYS A 43 45.345 -18.081 6.804 1.00 1.00 C ATOM 669 NZ LYS A 43 45.261 -18.037 5.316 1.00 1.00 N ATOM 0 H LYS A 43 42.762 -16.246 10.812 1.00 1.00 H new ATOM 0 HA LYS A 43 42.817 -19.185 11.235 1.00 1.00 H new ATOM 0 HB2 LYS A 43 44.429 -19.270 9.339 1.00 1.00 H new ATOM 0 HB3 LYS A 43 42.866 -18.669 8.820 1.00 1.00 H new ATOM 0 HG2 LYS A 43 43.889 -16.275 9.356 1.00 1.00 H new ATOM 0 HG3 LYS A 43 45.434 -17.098 9.278 1.00 1.00 H new ATOM 0 HD2 LYS A 43 43.349 -17.291 7.047 1.00 1.00 H new ATOM 0 HD3 LYS A 43 44.604 -16.068 7.064 1.00 1.00 H new ATOM 0 HE2 LYS A 43 46.359 -17.847 7.129 1.00 1.00 H new ATOM 0 HE3 LYS A 43 45.119 -19.085 7.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 44.904 -18.947 4.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 44.614 -17.276 5.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 46.206 -17.857 4.920 1.00 1.00 H new ATOM 683 N GLY A 44 44.297 -17.718 13.032 1.00 1.00 N ATOM 684 CA GLY A 44 45.389 -17.496 13.984 1.00 1.00 C ATOM 685 C GLY A 44 46.158 -16.215 13.669 1.00 1.00 C ATOM 686 O GLY A 44 46.586 -15.504 14.577 1.00 1.00 O ATOM 0 H GLY A 44 43.363 -17.590 13.420 1.00 1.00 H new ATOM 0 HA2 GLY A 44 44.985 -17.439 14.995 1.00 1.00 H new ATOM 0 HA3 GLY A 44 46.071 -18.346 13.960 1.00 1.00 H new ATOM 690 N GLN A 45 46.327 -15.925 12.378 1.00 1.00 N ATOM 691 CA GLN A 45 47.053 -14.716 11.951 1.00 1.00 C ATOM 692 C GLN A 45 48.223 -14.422 12.881 1.00 1.00 C ATOM 693 O GLN A 45 48.146 -13.555 13.752 1.00 1.00 O ATOM 694 CB GLN A 45 46.098 -13.522 11.943 1.00 1.00 C ATOM 695 CG GLN A 45 46.790 -12.295 11.334 1.00 1.00 C ATOM 696 CD GLN A 45 47.101 -12.535 9.859 1.00 1.00 C ATOM 697 OE1 GLN A 45 46.402 -13.405 9.184 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 48.007 -11.910 9.308 1.00 1.00 N flip ATOM 0 H GLN A 45 45.977 -16.501 11.612 1.00 1.00 H new ATOM 0 HA GLN A 45 47.444 -14.888 10.948 1.00 1.00 H new ATOM 0 HB2 GLN A 45 45.204 -13.766 11.370 1.00 1.00 H new ATOM 0 HB3 GLN A 45 45.774 -13.299 12.960 1.00 1.00 H new ATOM 0 HG2 GLN A 45 46.150 -11.419 11.439 1.00 1.00 H new ATOM 0 HG3 GLN A 45 47.711 -12.083 11.876 1.00 1.00 H new ATOM 0 HE21 GLN A 45 48.553 -11.230 9.837 1.00 1.00 H new ATOM 0 HE22 GLN A 45 48.212 -12.072 8.322 1.00 1.00 H new ATOM 707 N ARG A 46 49.301 -15.154 12.678 1.00 1.00 N ATOM 708 CA ARG A 46 50.504 -14.988 13.482 1.00 1.00 C ATOM 709 C ARG A 46 51.629 -15.832 12.899 1.00 1.00 C ATOM 710 O ARG A 46 52.800 -15.650 13.231 1.00 1.00 O ATOM 711 CB ARG A 46 50.228 -15.396 14.932 1.00 1.00 C ATOM 712 CG ARG A 46 49.804 -16.866 14.990 1.00 1.00 C ATOM 713 CD ARG A 46 49.484 -17.243 16.436 1.00 1.00 C ATOM 714 NE ARG A 46 48.301 -16.513 16.891 1.00 1.00 N ATOM 715 CZ ARG A 46 48.135 -16.177 18.169 1.00 1.00 C ATOM 716 NH1 ARG A 46 49.030 -16.510 19.059 1.00 1.00 N ATOM 717 NH2 ARG A 46 47.071 -15.513 18.533 1.00 1.00 N ATOM 0 H ARG A 46 49.372 -15.875 11.960 1.00 1.00 H new ATOM 0 HA ARG A 46 50.804 -13.940 13.469 1.00 1.00 H new ATOM 0 HB2 ARG A 46 51.121 -15.242 15.538 1.00 1.00 H new ATOM 0 HB3 ARG A 46 49.444 -14.766 15.353 1.00 1.00 H new ATOM 0 HG2 ARG A 46 48.931 -17.030 14.358 1.00 1.00 H new ATOM 0 HG3 ARG A 46 50.601 -17.502 14.604 1.00 1.00 H new ATOM 0 HD2 ARG A 46 49.311 -18.317 16.511 1.00 1.00 H new ATOM 0 HD3 ARG A 46 50.334 -17.012 17.078 1.00 1.00 H new ATOM 0 HE ARG A 46 47.585 -16.255 16.212 1.00 1.00 H new ATOM 0 HH11 ARG A 46 49.861 -17.030 18.777 1.00 1.00 H new ATOM 0 HH12 ARG A 46 48.898 -16.250 20.037 1.00 1.00 H new ATOM 0 HH21 ARG A 46 46.370 -15.253 17.839 1.00 1.00 H new ATOM 0 HH22 ARG A 46 46.941 -15.254 19.511 1.00 1.00 H new ATOM 731 N ASP A 47 51.253 -16.757 12.022 1.00 1.00 N ATOM 732 CA ASP A 47 52.220 -17.637 11.382 1.00 1.00 C ATOM 733 C ASP A 47 53.046 -16.877 10.355 1.00 1.00 C ATOM 734 O ASP A 47 54.102 -17.345 9.930 1.00 1.00 O ATOM 735 CB ASP A 47 51.513 -18.816 10.705 1.00 1.00 C ATOM 736 CG ASP A 47 50.684 -19.585 11.730 1.00 1.00 C ATOM 737 OD1 ASP A 47 51.027 -19.531 12.899 1.00 1.00 O ATOM 738 OD2 ASP A 47 49.721 -20.217 11.329 1.00 1.00 O ATOM 0 H ASP A 47 50.286 -16.915 11.739 1.00 1.00 H new ATOM 0 HA ASP A 47 52.886 -18.019 12.156 1.00 1.00 H new ATOM 0 HB2 ASP A 47 50.870 -18.453 9.903 1.00 1.00 H new ATOM 0 HB3 ASP A 47 52.248 -19.479 10.249 1.00 1.00 H new ATOM 743 N LEU A 48 52.571 -15.701 9.953 1.00 1.00 N ATOM 744 CA LEU A 48 53.308 -14.910 8.971 1.00 1.00 C ATOM 745 C LEU A 48 54.511 -14.242 9.622 1.00 1.00 C ATOM 746 O LEU A 48 55.324 -13.612 8.945 1.00 1.00 O ATOM 747 CB LEU A 48 52.409 -13.841 8.343 1.00 1.00 C ATOM 748 CG LEU A 48 51.108 -14.470 7.835 1.00 1.00 C ATOM 749 CD1 LEU A 48 50.303 -13.407 7.085 1.00 1.00 C ATOM 750 CD2 LEU A 48 51.420 -15.638 6.887 1.00 1.00 C ATOM 0 H LEU A 48 51.701 -15.282 10.282 1.00 1.00 H new ATOM 0 HA LEU A 48 53.650 -15.586 8.187 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.184 -13.068 9.078 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.932 -13.355 7.519 1.00 1.00 H new ATOM 0 HG LEU A 48 50.534 -14.847 8.681 1.00 1.00 H new ATOM 0 HD11 LEU A 48 49.374 -13.845 6.719 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.074 -12.581 7.759 1.00 1.00 H new ATOM 0 HD13 LEU A 48 50.886 -13.036 6.242 1.00 1.00 H new ATOM 0 HD21 LEU A 48 50.488 -16.078 6.532 1.00 1.00 H new ATOM 0 HD22 LEU A 48 51.996 -15.273 6.037 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.998 -16.394 7.419 1.00 1.00 H new ATOM 762 N TYR A 49 54.631 -14.400 10.941 1.00 1.00 N ATOM 763 CA TYR A 49 55.761 -13.822 11.686 1.00 1.00 C ATOM 764 C TYR A 49 56.701 -14.933 12.162 1.00 1.00 C ATOM 765 O TYR A 49 57.800 -14.658 12.642 1.00 1.00 O ATOM 766 CB TYR A 49 55.246 -12.993 12.900 1.00 1.00 C ATOM 767 CG TYR A 49 55.488 -11.510 12.677 1.00 1.00 C ATOM 768 CD1 TYR A 49 54.759 -10.821 11.701 1.00 1.00 C ATOM 769 CD2 TYR A 49 56.442 -10.831 13.447 1.00 1.00 C ATOM 770 CE1 TYR A 49 54.983 -9.454 11.494 1.00 1.00 C ATOM 771 CE2 TYR A 49 56.666 -9.465 13.240 1.00 1.00 C ATOM 772 CZ TYR A 49 55.936 -8.776 12.264 1.00 1.00 C ATOM 773 OH TYR A 49 56.157 -7.429 12.060 1.00 1.00 O ATOM 0 H TYR A 49 53.967 -14.919 11.516 1.00 1.00 H new ATOM 0 HA TYR A 49 56.312 -13.156 11.022 1.00 1.00 H new ATOM 0 HB2 TYR A 49 54.181 -13.175 13.046 1.00 1.00 H new ATOM 0 HB3 TYR A 49 55.752 -13.317 13.809 1.00 1.00 H new ATOM 0 HD1 TYR A 49 54.024 -11.344 11.107 1.00 1.00 H new ATOM 0 HD2 TYR A 49 57.005 -11.362 14.201 1.00 1.00 H new ATOM 0 HE1 TYR A 49 54.421 -8.923 10.740 1.00 1.00 H new ATOM 0 HE2 TYR A 49 57.402 -8.942 13.833 1.00 1.00 H new ATOM 0 HH TYR A 49 56.849 -7.114 12.678 1.00 1.00 H new ATOM 783 N SER A 50 56.259 -16.182 12.040 1.00 1.00 N ATOM 784 CA SER A 50 57.072 -17.313 12.479 1.00 1.00 C ATOM 785 C SER A 50 58.365 -17.427 11.682 1.00 1.00 C ATOM 786 O SER A 50 59.449 -17.531 12.258 1.00 1.00 O ATOM 787 CB SER A 50 56.274 -18.610 12.344 1.00 1.00 C ATOM 788 OG SER A 50 55.144 -18.559 13.205 1.00 1.00 O ATOM 0 H SER A 50 55.353 -16.435 11.646 1.00 1.00 H new ATOM 0 HA SER A 50 57.335 -17.143 13.523 1.00 1.00 H new ATOM 0 HB2 SER A 50 55.953 -18.747 11.311 1.00 1.00 H new ATOM 0 HB3 SER A 50 56.901 -19.464 12.599 1.00 1.00 H new ATOM 0 HG SER A 50 54.630 -19.389 13.119 1.00 1.00 H new ATOM 794 N GLY A 51 58.250 -17.409 10.363 1.00 1.00 N ATOM 795 CA GLY A 51 59.437 -17.517 9.511 1.00 1.00 C ATOM 796 C GLY A 51 60.330 -16.296 9.673 1.00 1.00 C ATOM 797 O GLY A 51 61.557 -16.384 9.597 1.00 1.00 O ATOM 0 H GLY A 51 57.366 -17.322 9.861 1.00 1.00 H new ATOM 0 HA2 GLY A 51 59.994 -18.418 9.768 1.00 1.00 H new ATOM 0 HA3 GLY A 51 59.134 -17.616 8.469 1.00 1.00 H new ATOM 801 N LEU A 52 59.696 -15.158 9.882 1.00 1.00 N ATOM 802 CA LEU A 52 60.423 -13.897 10.039 1.00 1.00 C ATOM 803 C LEU A 52 61.201 -13.860 11.356 1.00 1.00 C ATOM 804 O LEU A 52 62.292 -13.295 11.421 1.00 1.00 O ATOM 805 CB LEU A 52 59.464 -12.693 9.952 1.00 1.00 C ATOM 806 CG LEU A 52 59.103 -12.390 8.479 1.00 1.00 C ATOM 807 CD1 LEU A 52 60.283 -11.723 7.749 1.00 1.00 C ATOM 808 CD2 LEU A 52 58.722 -13.688 7.752 1.00 1.00 C ATOM 0 H LEU A 52 58.682 -15.073 9.948 1.00 1.00 H new ATOM 0 HA LEU A 52 61.140 -13.831 9.220 1.00 1.00 H new ATOM 0 HB2 LEU A 52 58.557 -12.902 10.519 1.00 1.00 H new ATOM 0 HB3 LEU A 52 59.929 -11.818 10.406 1.00 1.00 H new ATOM 0 HG LEU A 52 58.255 -11.705 8.473 1.00 1.00 H new ATOM 0 HD11 LEU A 52 60.004 -11.520 6.715 1.00 1.00 H new ATOM 0 HD12 LEU A 52 60.536 -10.787 8.247 1.00 1.00 H new ATOM 0 HD13 LEU A 52 61.146 -12.389 7.768 1.00 1.00 H new ATOM 0 HD21 LEU A 52 58.470 -13.464 6.716 1.00 1.00 H new ATOM 0 HD22 LEU A 52 59.563 -14.381 7.779 1.00 1.00 H new ATOM 0 HD23 LEU A 52 57.862 -14.142 8.245 1.00 1.00 H new ATOM 820 N ASN A 53 60.632 -14.455 12.403 1.00 1.00 N ATOM 821 CA ASN A 53 61.279 -14.478 13.724 1.00 1.00 C ATOM 822 C ASN A 53 61.491 -15.911 14.199 1.00 1.00 C ATOM 823 O ASN A 53 60.934 -16.331 15.214 1.00 1.00 O ATOM 824 CB ASN A 53 60.437 -13.699 14.744 1.00 1.00 C ATOM 825 CG ASN A 53 59.069 -14.345 14.944 1.00 1.00 C ATOM 826 OD1 ASN A 53 58.855 -15.494 14.560 1.00 1.00 O ATOM 827 ND2 ASN A 53 58.120 -13.662 15.531 1.00 1.00 N ATOM 0 H ASN A 53 59.728 -14.927 12.368 1.00 1.00 H new ATOM 0 HA ASN A 53 62.254 -13.999 13.634 1.00 1.00 H new ATOM 0 HB2 ASN A 53 60.964 -13.657 15.697 1.00 1.00 H new ATOM 0 HB3 ASN A 53 60.310 -12.671 14.404 1.00 1.00 H new ATOM 0 HD21 ASN A 53 57.201 -14.082 15.671 1.00 1.00 H new ATOM 0 HD22 ASN A 53 58.299 -12.709 15.849 1.00 1.00 H new ATOM 834 N GLN A 54 62.317 -16.659 13.465 1.00 1.00 N ATOM 835 CA GLN A 54 62.605 -18.052 13.837 1.00 1.00 C ATOM 836 C GLN A 54 63.295 -18.122 15.200 1.00 1.00 C ATOM 837 O GLN A 54 63.874 -19.151 15.551 1.00 1.00 O ATOM 838 CB GLN A 54 63.499 -18.744 12.793 1.00 1.00 C ATOM 839 CG GLN A 54 62.775 -18.807 11.443 1.00 1.00 C ATOM 840 CD GLN A 54 61.756 -19.944 11.449 1.00 1.00 C ATOM 841 OE1 GLN A 54 61.485 -20.561 12.566 1.00 1.00 O flip ATOM 842 NE2 GLN A 54 61.200 -20.287 10.406 1.00 1.00 N flip ATOM 0 H GLN A 54 62.793 -16.334 12.623 1.00 1.00 H new ATOM 0 HA GLN A 54 61.647 -18.570 13.883 1.00 1.00 H new ATOM 0 HB2 GLN A 54 64.437 -18.199 12.687 1.00 1.00 H new ATOM 0 HB3 GLN A 54 63.751 -19.750 13.127 1.00 1.00 H new ATOM 0 HG2 GLN A 54 62.274 -17.860 11.245 1.00 1.00 H new ATOM 0 HG3 GLN A 54 63.497 -18.959 10.641 1.00 1.00 H new ATOM 0 HE21 GLN A 54 61.412 -19.805 9.533 1.00 1.00 H new ATOM 0 HE22 GLN A 54 60.527 -21.054 10.415 1.00 1.00 H new ATOM 851 N ARG A 55 63.232 -17.025 15.954 1.00 1.00 N ATOM 852 CA ARG A 55 63.850 -16.952 17.279 1.00 1.00 C ATOM 853 C ARG A 55 65.300 -16.510 17.160 1.00 1.00 C ATOM 854 O ARG A 55 66.088 -17.100 16.419 1.00 1.00 O ATOM 855 CB ARG A 55 63.771 -18.308 18.004 1.00 1.00 C ATOM 856 CG ARG A 55 63.742 -18.102 19.525 1.00 1.00 C ATOM 857 CD ARG A 55 63.654 -19.461 20.224 1.00 1.00 C ATOM 858 NE ARG A 55 62.388 -20.113 19.904 1.00 1.00 N ATOM 859 CZ ARG A 55 61.244 -19.693 20.435 1.00 1.00 C ATOM 860 NH1 ARG A 55 61.236 -18.679 21.255 1.00 1.00 N ATOM 861 NH2 ARG A 55 60.126 -20.296 20.134 1.00 1.00 N ATOM 0 H ARG A 55 62.756 -16.169 15.668 1.00 1.00 H new ATOM 0 HA ARG A 55 63.299 -16.218 17.867 1.00 1.00 H new ATOM 0 HB2 ARG A 55 62.877 -18.846 17.687 1.00 1.00 H new ATOM 0 HB3 ARG A 55 64.628 -18.924 17.731 1.00 1.00 H new ATOM 0 HG2 ARG A 55 64.638 -17.573 19.848 1.00 1.00 H new ATOM 0 HG3 ARG A 55 62.889 -17.483 19.802 1.00 1.00 H new ATOM 0 HD2 ARG A 55 64.486 -20.093 19.912 1.00 1.00 H new ATOM 0 HD3 ARG A 55 63.741 -19.329 21.303 1.00 1.00 H new ATOM 0 HE ARG A 55 62.381 -20.905 19.261 1.00 1.00 H new ATOM 0 HH11 ARG A 55 62.109 -18.206 21.490 1.00 1.00 H new ATOM 0 HH12 ARG A 55 60.357 -18.359 21.661 1.00 1.00 H new ATOM 0 HH21 ARG A 55 60.131 -21.089 19.492 1.00 1.00 H new ATOM 0 HH22 ARG A 55 59.248 -19.975 20.541 1.00 1.00 H new ATOM 875 N ALA A 56 65.628 -15.467 17.898 1.00 1.00 N ATOM 876 CA ALA A 56 66.986 -14.916 17.897 1.00 1.00 C ATOM 877 C ALA A 56 67.282 -14.210 16.579 1.00 1.00 C ATOM 878 O ALA A 56 68.193 -14.594 15.847 1.00 1.00 O ATOM 879 CB ALA A 56 68.009 -16.034 18.124 1.00 1.00 C ATOM 0 H ALA A 56 64.976 -14.977 18.511 1.00 1.00 H new ATOM 0 HA ALA A 56 67.059 -14.190 18.706 1.00 1.00 H new ATOM 0 HB1 ALA A 56 69.014 -15.613 18.121 1.00 1.00 H new ATOM 0 HB2 ALA A 56 67.818 -16.512 19.085 1.00 1.00 H new ATOM 0 HB3 ALA A 56 67.923 -16.773 17.328 1.00 1.00 H new ATOM 885 N VAL A 57 66.503 -13.172 16.287 1.00 1.00 N ATOM 886 CA VAL A 57 66.674 -12.399 15.057 1.00 1.00 C ATOM 887 C VAL A 57 67.040 -10.954 15.394 1.00 1.00 C ATOM 888 O VAL A 57 68.215 -10.691 15.588 1.00 1.00 O ATOM 889 CB VAL A 57 65.367 -12.436 14.252 1.00 1.00 C ATOM 890 CG1 VAL A 57 65.302 -13.721 13.416 1.00 1.00 C ATOM 891 CG2 VAL A 57 64.177 -12.398 15.217 1.00 1.00 C ATOM 892 OXT VAL A 57 66.138 -10.133 15.452 1.00 1.00 O ATOM 0 H VAL A 57 65.745 -12.845 16.886 1.00 1.00 H new ATOM 0 HA VAL A 57 67.479 -12.833 14.464 1.00 1.00 H new ATOM 0 HB VAL A 57 65.332 -11.574 13.586 1.00 1.00 H new ATOM 0 HG11 VAL A 57 64.372 -13.739 12.848 1.00 1.00 H new ATOM 0 HG12 VAL A 57 66.147 -13.751 12.729 1.00 1.00 H new ATOM 0 HG13 VAL A 57 65.341 -14.587 14.077 1.00 1.00 H new ATOM 0 HG21 VAL A 57 63.247 -12.424 14.649 1.00 1.00 H new ATOM 0 HG22 VAL A 57 64.220 -13.260 15.882 1.00 1.00 H new ATOM 0 HG23 VAL A 57 64.216 -11.482 15.807 1.00 1.00 H new TER 902 VAL A 57