USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 739 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 71 SER OG : rot 90:sc= 0.0793 USER MOD Set 1.2: A 73 SER OG : rot 178:sc= 0.0806 USER MOD Single : A 1 ILE N :NH3+ -132:sc= -0.719 (180deg=-3.27!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0589 X(o=-0.059,f=-0.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 30 GLN : amide:sc= 0.694 K(o=0.69,f=-3.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= -0.216 (180deg=-0.346) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 47 THR OG1 : rot -72:sc= 0.129 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.326 (180deg=0.325) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= -0.0144 (180deg=-0.141) USER MOD Single : A 63 GLN : amide:sc= -0.0127 K(o=-0.013,f=-0.76) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.8) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -24.177 16.832 20.465 1.00 2.11 N ATOM 2 CA ILE A 1 -23.356 16.106 19.472 1.00 62.22 C ATOM 3 C ILE A 1 -22.759 17.125 18.484 1.00 61.52 C ATOM 4 O ILE A 1 -23.452 18.053 18.051 1.00 41.11 O ATOM 5 CB ILE A 1 -24.174 14.973 18.703 1.00 21.42 C ATOM 6 CG1 ILE A 1 -24.493 13.742 19.630 1.00 43.05 C ATOM 7 CG2 ILE A 1 -23.431 14.482 17.426 1.00 51.52 C ATOM 8 CD1 ILE A 1 -25.494 13.992 20.748 1.00 5.52 C ATOM 0 H1 ILE A 1 -23.931 16.509 21.422 1.00 2.11 H new ATOM 0 H2 ILE A 1 -23.994 17.853 20.387 1.00 2.11 H new ATOM 0 H3 ILE A 1 -25.184 16.646 20.285 1.00 2.11 H new ATOM 0 HA ILE A 1 -22.558 15.587 20.003 1.00 62.22 H new ATOM 0 HB ILE A 1 -25.114 15.436 18.403 1.00 21.42 H new ATOM 0 HG12 ILE A 1 -24.869 12.931 19.007 1.00 43.05 H new ATOM 0 HG13 ILE A 1 -23.560 13.396 20.075 1.00 43.05 H new ATOM 0 HG21 ILE A 1 -24.024 13.711 16.934 1.00 51.52 H new ATOM 0 HG22 ILE A 1 -23.287 15.320 16.744 1.00 51.52 H new ATOM 0 HG23 ILE A 1 -22.461 14.071 17.705 1.00 51.52 H new ATOM 0 HD11 ILE A 1 -25.636 13.076 21.321 1.00 5.52 H new ATOM 0 HD12 ILE A 1 -25.117 14.776 21.405 1.00 5.52 H new ATOM 0 HD13 ILE A 1 -26.447 14.304 20.320 1.00 5.52 H new ATOM 22 N LEU A 2 -21.473 16.930 18.145 1.00 52.03 N ATOM 23 CA LEU A 2 -20.736 17.774 17.194 1.00 21.13 C ATOM 24 C LEU A 2 -19.804 16.884 16.353 1.00 54.23 C ATOM 25 O LEU A 2 -19.442 15.776 16.770 1.00 1.23 O ATOM 26 CB LEU A 2 -19.923 18.909 17.905 1.00 2.22 C ATOM 27 CG LEU A 2 -18.780 18.496 18.910 1.00 20.23 C ATOM 28 CD1 LEU A 2 -17.770 19.654 19.106 1.00 74.13 C ATOM 29 CD2 LEU A 2 -19.339 18.053 20.284 1.00 0.51 C ATOM 0 H LEU A 2 -20.911 16.171 18.530 1.00 52.03 H new ATOM 0 HA LEU A 2 -21.460 18.272 16.549 1.00 21.13 H new ATOM 0 HB2 LEU A 2 -19.475 19.532 17.130 1.00 2.22 H new ATOM 0 HB3 LEU A 2 -20.632 19.535 18.447 1.00 2.22 H new ATOM 0 HG LEU A 2 -18.268 17.643 18.465 1.00 20.23 H new ATOM 0 HD11 LEU A 2 -16.992 19.344 19.803 1.00 74.13 H new ATOM 0 HD12 LEU A 2 -17.318 19.909 18.147 1.00 74.13 H new ATOM 0 HD13 LEU A 2 -18.289 20.526 19.505 1.00 74.13 H new ATOM 0 HD21 LEU A 2 -18.514 17.778 20.941 1.00 0.51 H new ATOM 0 HD22 LEU A 2 -19.901 18.874 20.730 1.00 0.51 H new ATOM 0 HD23 LEU A 2 -19.997 17.194 20.149 1.00 0.51 H new ATOM 41 N GLU A 3 -19.437 17.378 15.170 1.00 22.23 N ATOM 42 CA GLU A 3 -18.579 16.658 14.210 1.00 33.23 C ATOM 43 C GLU A 3 -17.137 17.173 14.331 1.00 44.12 C ATOM 44 O GLU A 3 -16.926 18.376 14.519 1.00 3.34 O ATOM 45 CB GLU A 3 -19.121 16.888 12.772 1.00 44.31 C ATOM 46 CG GLU A 3 -20.588 16.436 12.589 1.00 0.12 C ATOM 47 CD GLU A 3 -21.191 16.819 11.227 1.00 2.03 C ATOM 48 OE1 GLU A 3 -21.178 15.984 10.289 1.00 41.22 O ATOM 49 OE2 GLU A 3 -21.696 17.958 11.089 1.00 43.32 O ATOM 0 H GLU A 3 -19.727 18.299 14.842 1.00 22.23 H new ATOM 0 HA GLU A 3 -18.588 15.590 14.425 1.00 33.23 H new ATOM 0 HB2 GLU A 3 -19.042 17.947 12.527 1.00 44.31 H new ATOM 0 HB3 GLU A 3 -18.492 16.349 12.064 1.00 44.31 H new ATOM 0 HG2 GLU A 3 -20.642 15.354 12.708 1.00 0.12 H new ATOM 0 HG3 GLU A 3 -21.195 16.875 13.381 1.00 0.12 H new ATOM 56 N ALA A 4 -16.161 16.257 14.268 1.00 31.33 N ATOM 57 CA ALA A 4 -14.731 16.606 14.235 1.00 4.53 C ATOM 58 C ALA A 4 -14.323 16.974 12.801 1.00 73.25 C ATOM 59 O ALA A 4 -14.431 16.143 11.895 1.00 4.14 O ATOM 60 CB ALA A 4 -13.880 15.434 14.762 1.00 33.10 C ATOM 0 H ALA A 4 -16.339 15.253 14.238 1.00 31.33 H new ATOM 0 HA ALA A 4 -14.557 17.466 14.881 1.00 4.53 H new ATOM 0 HB1 ALA A 4 -12.825 15.708 14.731 1.00 33.10 H new ATOM 0 HB2 ALA A 4 -14.167 15.209 15.789 1.00 33.10 H new ATOM 0 HB3 ALA A 4 -14.045 14.555 14.139 1.00 33.10 H new ATOM 66 N HIS A 5 -13.914 18.236 12.599 1.00 23.51 N ATOM 67 CA HIS A 5 -13.364 18.698 11.320 1.00 4.00 C ATOM 68 C HIS A 5 -11.950 18.117 11.136 1.00 64.21 C ATOM 69 O HIS A 5 -10.984 18.595 11.747 1.00 21.02 O ATOM 70 CB HIS A 5 -13.342 20.249 11.244 1.00 74.02 C ATOM 71 CG HIS A 5 -12.751 20.783 9.957 1.00 24.32 C ATOM 72 ND1 HIS A 5 -11.635 21.596 9.924 1.00 65.04 N ATOM 73 CD2 HIS A 5 -13.120 20.610 8.662 1.00 44.32 C ATOM 74 CE1 HIS A 5 -11.349 21.892 8.672 1.00 33.34 C ATOM 75 NE2 HIS A 5 -12.233 21.309 7.891 1.00 30.34 N ATOM 0 H HIS A 5 -13.956 18.960 13.316 1.00 23.51 H new ATOM 0 HA HIS A 5 -14.005 18.346 10.512 1.00 4.00 H new ATOM 0 HB2 HIS A 5 -14.360 20.624 11.350 1.00 74.02 H new ATOM 0 HB3 HIS A 5 -12.769 20.638 12.086 1.00 74.02 H new ATOM 0 HD2 HIS A 5 -13.958 20.029 8.307 1.00 44.32 H new ATOM 0 HE1 HIS A 5 -10.527 22.510 8.342 1.00 33.34 H new ATOM 0 HE2 HIS A 5 -12.253 21.369 6.873 1.00 30.34 H new ATOM 84 N TYR A 6 -11.863 17.050 10.324 1.00 45.22 N ATOM 85 CA TYR A 6 -10.609 16.339 10.063 1.00 30.44 C ATOM 86 C TYR A 6 -9.745 17.143 9.084 1.00 14.04 C ATOM 87 O TYR A 6 -10.215 17.555 8.013 1.00 74.42 O ATOM 88 CB TYR A 6 -10.898 14.919 9.514 1.00 25.33 C ATOM 89 CG TYR A 6 -11.785 14.083 10.447 1.00 24.40 C ATOM 90 CD1 TYR A 6 -11.304 13.618 11.671 1.00 73.14 C ATOM 91 CD2 TYR A 6 -13.112 13.784 10.117 1.00 3.32 C ATOM 92 CE1 TYR A 6 -12.108 12.894 12.533 1.00 41.02 C ATOM 93 CE2 TYR A 6 -13.914 13.056 10.976 1.00 73.22 C ATOM 94 CZ TYR A 6 -13.411 12.617 12.178 1.00 10.05 C ATOM 95 OH TYR A 6 -14.227 11.906 13.039 1.00 64.24 O ATOM 0 H TYR A 6 -12.665 16.658 9.831 1.00 45.22 H new ATOM 0 HA TYR A 6 -10.059 16.232 10.998 1.00 30.44 H new ATOM 0 HB2 TYR A 6 -11.382 15.003 8.541 1.00 25.33 H new ATOM 0 HB3 TYR A 6 -9.954 14.398 9.356 1.00 25.33 H new ATOM 0 HD1 TYR A 6 -10.282 13.828 11.952 1.00 73.14 H new ATOM 0 HD2 TYR A 6 -13.516 14.128 9.176 1.00 3.32 H new ATOM 0 HE1 TYR A 6 -11.717 12.548 13.478 1.00 41.02 H new ATOM 0 HE2 TYR A 6 -14.935 12.832 10.703 1.00 73.22 H new ATOM 0 HH TYR A 6 -15.114 11.799 12.636 1.00 64.24 H new ATOM 105 N THR A 7 -8.500 17.390 9.494 1.00 32.10 N ATOM 106 CA THR A 7 -7.504 18.104 8.698 1.00 2.53 C ATOM 107 C THR A 7 -6.491 17.091 8.135 1.00 71.32 C ATOM 108 O THR A 7 -6.093 16.145 8.834 1.00 13.24 O ATOM 109 CB THR A 7 -6.773 19.166 9.582 1.00 13.13 C ATOM 110 OG1 THR A 7 -6.085 18.512 10.668 1.00 64.11 O ATOM 111 CG2 THR A 7 -7.761 20.205 10.157 1.00 21.32 C ATOM 0 H THR A 7 -8.151 17.094 10.405 1.00 32.10 H new ATOM 0 HA THR A 7 -7.996 18.621 7.874 1.00 2.53 H new ATOM 0 HB THR A 7 -6.058 19.688 8.947 1.00 13.13 H new ATOM 0 HG1 THR A 7 -5.628 19.183 11.217 1.00 64.11 H new ATOM 0 HG21 THR A 7 -7.217 20.927 10.766 1.00 21.32 H new ATOM 0 HG22 THR A 7 -8.260 20.724 9.339 1.00 21.32 H new ATOM 0 HG23 THR A 7 -8.504 19.698 10.773 1.00 21.32 H new ATOM 119 N ASN A 8 -6.065 17.282 6.877 1.00 64.13 N ATOM 120 CA ASN A 8 -5.082 16.396 6.210 1.00 12.13 C ATOM 121 C ASN A 8 -3.641 16.920 6.444 1.00 73.10 C ATOM 122 O ASN A 8 -2.804 16.914 5.535 1.00 34.20 O ATOM 123 CB ASN A 8 -5.426 16.276 4.694 1.00 15.30 C ATOM 124 CG ASN A 8 -5.489 17.623 3.957 1.00 22.14 C ATOM 125 OD1 ASN A 8 -6.547 18.253 3.873 1.00 13.53 O ATOM 126 ND2 ASN A 8 -4.361 18.080 3.427 1.00 61.23 N ATOM 0 H ASN A 8 -6.388 18.051 6.290 1.00 64.13 H new ATOM 0 HA ASN A 8 -5.134 15.397 6.642 1.00 12.13 H new ATOM 0 HB2 ASN A 8 -4.680 15.645 4.212 1.00 15.30 H new ATOM 0 HB3 ASN A 8 -6.386 15.771 4.589 1.00 15.30 H new ATOM 0 HD21 ASN A 8 -4.354 18.973 2.935 1.00 61.23 H new ATOM 0 HD22 ASN A 8 -3.501 17.538 3.512 1.00 61.23 H new ATOM 133 N LEU A 9 -3.377 17.340 7.704 1.00 11.13 N ATOM 134 CA LEU A 9 -2.079 17.908 8.133 1.00 2.15 C ATOM 135 C LEU A 9 -0.955 16.873 7.939 1.00 62.33 C ATOM 136 O LEU A 9 0.144 17.212 7.490 1.00 22.43 O ATOM 137 CB LEU A 9 -2.167 18.392 9.627 1.00 71.41 C ATOM 138 CG LEU A 9 -0.911 19.149 10.248 1.00 74.51 C ATOM 139 CD1 LEU A 9 -1.337 20.112 11.384 1.00 61.35 C ATOM 140 CD2 LEU A 9 0.173 18.174 10.782 1.00 54.13 C ATOM 0 H LEU A 9 -4.065 17.293 8.456 1.00 11.13 H new ATOM 0 HA LEU A 9 -1.844 18.774 7.514 1.00 2.15 H new ATOM 0 HB2 LEU A 9 -3.030 19.053 9.713 1.00 71.41 H new ATOM 0 HB3 LEU A 9 -2.371 17.520 10.248 1.00 71.41 H new ATOM 0 HG LEU A 9 -0.476 19.722 9.430 1.00 74.51 H new ATOM 0 HD11 LEU A 9 -0.456 20.613 11.786 1.00 61.35 H new ATOM 0 HD12 LEU A 9 -2.029 20.856 10.990 1.00 61.35 H new ATOM 0 HD13 LEU A 9 -1.826 19.546 12.177 1.00 61.35 H new ATOM 0 HD21 LEU A 9 1.005 18.745 11.194 1.00 54.13 H new ATOM 0 HD22 LEU A 9 -0.256 17.545 11.562 1.00 54.13 H new ATOM 0 HD23 LEU A 9 0.532 17.547 9.966 1.00 54.13 H new ATOM 152 N LYS A 10 -1.258 15.605 8.249 1.00 30.11 N ATOM 153 CA LYS A 10 -0.258 14.528 8.281 1.00 51.41 C ATOM 154 C LYS A 10 -0.745 13.285 7.519 1.00 3.44 C ATOM 155 O LYS A 10 -1.881 13.250 7.020 1.00 73.24 O ATOM 156 CB LYS A 10 0.072 14.182 9.755 1.00 21.03 C ATOM 157 CG LYS A 10 -1.099 13.611 10.589 1.00 23.22 C ATOM 158 CD LYS A 10 -0.668 13.285 12.041 1.00 53.32 C ATOM 159 CE LYS A 10 0.469 12.240 12.113 1.00 41.01 C ATOM 160 NZ LYS A 10 1.052 12.136 13.486 1.00 41.03 N ATOM 0 H LYS A 10 -2.201 15.297 8.484 1.00 30.11 H new ATOM 0 HA LYS A 10 0.647 14.873 7.781 1.00 51.41 H new ATOM 0 HB2 LYS A 10 0.887 13.459 9.765 1.00 21.03 H new ATOM 0 HB3 LYS A 10 0.439 15.083 10.247 1.00 21.03 H new ATOM 0 HG2 LYS A 10 -1.918 14.331 10.606 1.00 23.22 H new ATOM 0 HG3 LYS A 10 -1.479 12.708 10.111 1.00 23.22 H new ATOM 0 HD2 LYS A 10 -0.343 14.202 12.532 1.00 53.32 H new ATOM 0 HD3 LYS A 10 -1.530 12.915 12.596 1.00 53.32 H new ATOM 0 HE2 LYS A 10 0.086 11.266 11.808 1.00 41.01 H new ATOM 0 HE3 LYS A 10 1.254 12.509 11.406 1.00 41.01 H new ATOM 0 HZ1 LYS A 10 1.810 11.424 13.488 1.00 41.03 H new ATOM 0 HZ2 LYS A 10 1.442 13.058 13.768 1.00 41.03 H new ATOM 0 HZ3 LYS A 10 0.310 11.853 14.158 1.00 41.03 H new ATOM 174 N CYS A 11 0.153 12.280 7.420 1.00 32.03 N ATOM 175 CA CYS A 11 -0.144 10.977 6.806 1.00 42.14 C ATOM 176 C CYS A 11 -1.267 10.261 7.593 1.00 4.15 C ATOM 177 O CYS A 11 -1.103 9.945 8.780 1.00 51.12 O ATOM 178 CB CYS A 11 1.142 10.117 6.768 1.00 42.15 C ATOM 179 SG CYS A 11 1.942 9.868 8.395 1.00 4.03 S ATOM 0 H CYS A 11 1.109 12.356 7.768 1.00 32.03 H new ATOM 0 HA CYS A 11 -0.492 11.127 5.784 1.00 42.14 H new ATOM 0 HB2 CYS A 11 0.899 9.142 6.345 1.00 42.15 H new ATOM 0 HB3 CYS A 11 1.858 10.588 6.094 1.00 42.15 H new ATOM 184 N ARG A 12 -2.419 10.049 6.930 1.00 13.32 N ATOM 185 CA ARG A 12 -3.620 9.480 7.562 1.00 1.22 C ATOM 186 C ARG A 12 -3.621 7.943 7.444 1.00 53.14 C ATOM 187 O ARG A 12 -3.562 7.392 6.338 1.00 22.13 O ATOM 188 CB ARG A 12 -4.889 10.104 6.921 1.00 64.54 C ATOM 189 CG ARG A 12 -6.229 9.628 7.541 1.00 73.24 C ATOM 190 CD ARG A 12 -7.425 10.495 7.107 1.00 1.42 C ATOM 191 NE ARG A 12 -7.283 11.888 7.573 1.00 62.14 N ATOM 192 CZ ARG A 12 -8.058 12.917 7.198 1.00 63.23 C ATOM 193 NH1 ARG A 12 -9.063 12.757 6.334 1.00 32.03 N ATOM 194 NH2 ARG A 12 -7.826 14.121 7.700 1.00 32.32 N ATOM 0 H ARG A 12 -2.542 10.268 5.941 1.00 13.32 H new ATOM 0 HA ARG A 12 -3.618 9.721 8.625 1.00 1.22 H new ATOM 0 HB2 ARG A 12 -4.828 11.189 7.010 1.00 64.54 H new ATOM 0 HB3 ARG A 12 -4.894 9.871 5.856 1.00 64.54 H new ATOM 0 HG2 ARG A 12 -6.411 8.593 7.251 1.00 73.24 H new ATOM 0 HG3 ARG A 12 -6.148 9.645 8.628 1.00 73.24 H new ATOM 0 HD2 ARG A 12 -7.510 10.481 6.020 1.00 1.42 H new ATOM 0 HD3 ARG A 12 -8.347 10.070 7.504 1.00 1.42 H new ATOM 0 HE ARG A 12 -6.533 12.085 8.236 1.00 62.14 H new ATOM 0 HH11 ARG A 12 -9.257 11.835 5.942 1.00 32.03 H new ATOM 0 HH12 ARG A 12 -9.637 13.556 6.066 1.00 32.03 H new ATOM 0 HH21 ARG A 12 -7.064 14.258 8.365 1.00 32.32 H new ATOM 0 HH22 ARG A 12 -8.409 14.910 7.422 1.00 32.32 H new ATOM 208 N CYS A 13 -3.679 7.276 8.607 1.00 73.22 N ATOM 209 CA CYS A 13 -3.715 5.809 8.709 1.00 4.14 C ATOM 210 C CYS A 13 -4.633 5.404 9.873 1.00 61.13 C ATOM 211 O CYS A 13 -4.459 5.885 11.002 1.00 33.51 O ATOM 212 CB CYS A 13 -2.294 5.245 8.922 1.00 30.55 C ATOM 213 SG CYS A 13 -2.242 3.452 9.248 1.00 2.24 S ATOM 0 H CYS A 13 -3.702 7.745 9.512 1.00 73.22 H new ATOM 0 HA CYS A 13 -4.106 5.395 7.780 1.00 4.14 H new ATOM 0 HB2 CYS A 13 -1.694 5.460 8.038 1.00 30.55 H new ATOM 0 HB3 CYS A 13 -1.829 5.768 9.757 1.00 30.55 H new ATOM 218 N SER A 14 -5.619 4.540 9.581 1.00 60.55 N ATOM 219 CA SER A 14 -6.592 4.058 10.577 1.00 4.31 C ATOM 220 C SER A 14 -6.089 2.728 11.186 1.00 20.50 C ATOM 221 O SER A 14 -6.201 1.676 10.551 1.00 34.03 O ATOM 222 CB SER A 14 -7.988 3.890 9.910 1.00 31.33 C ATOM 223 OG SER A 14 -8.980 3.550 10.861 1.00 3.10 O ATOM 0 H SER A 14 -5.765 4.155 8.648 1.00 60.55 H new ATOM 0 HA SER A 14 -6.692 4.785 11.383 1.00 4.31 H new ATOM 0 HB2 SER A 14 -8.266 4.817 9.408 1.00 31.33 H new ATOM 0 HB3 SER A 14 -7.936 3.116 9.144 1.00 31.33 H new ATOM 0 HG SER A 14 -9.845 3.453 10.411 1.00 3.10 H new ATOM 229 N GLY A 15 -5.484 2.811 12.396 1.00 13.04 N ATOM 230 CA GLY A 15 -4.976 1.629 13.123 1.00 4.00 C ATOM 231 C GLY A 15 -3.838 0.915 12.390 1.00 12.31 C ATOM 232 O GLY A 15 -3.030 1.566 11.712 1.00 0.31 O ATOM 0 H GLY A 15 -5.337 3.692 12.889 1.00 13.04 H new ATOM 0 HA2 GLY A 15 -4.627 1.938 14.108 1.00 4.00 H new ATOM 0 HA3 GLY A 15 -5.795 0.927 13.280 1.00 4.00 H new ATOM 236 N VAL A 16 -3.759 -0.424 12.560 1.00 22.21 N ATOM 237 CA VAL A 16 -2.817 -1.294 11.817 1.00 32.11 C ATOM 238 C VAL A 16 -3.613 -2.466 11.212 1.00 71.14 C ATOM 239 O VAL A 16 -4.367 -3.133 11.927 1.00 11.22 O ATOM 240 CB VAL A 16 -1.652 -1.877 12.719 1.00 70.54 C ATOM 241 CG1 VAL A 16 -0.660 -2.726 11.879 1.00 62.34 C ATOM 242 CG2 VAL A 16 -0.905 -0.756 13.478 1.00 45.21 C ATOM 0 H VAL A 16 -4.348 -0.934 13.218 1.00 22.21 H new ATOM 0 HA VAL A 16 -2.345 -0.681 11.050 1.00 32.11 H new ATOM 0 HB VAL A 16 -2.114 -2.530 13.459 1.00 70.54 H new ATOM 0 HG11 VAL A 16 0.127 -3.112 12.526 1.00 62.34 H new ATOM 0 HG12 VAL A 16 -1.192 -3.559 11.419 1.00 62.34 H new ATOM 0 HG13 VAL A 16 -0.218 -2.104 11.101 1.00 62.34 H new ATOM 0 HG21 VAL A 16 -0.113 -1.193 14.086 1.00 45.21 H new ATOM 0 HG22 VAL A 16 -0.469 -0.059 12.762 1.00 45.21 H new ATOM 0 HG23 VAL A 16 -1.605 -0.224 14.122 1.00 45.21 H new ATOM 252 N ILE A 17 -3.441 -2.710 9.900 1.00 43.53 N ATOM 253 CA ILE A 17 -4.022 -3.896 9.232 1.00 71.43 C ATOM 254 C ILE A 17 -2.921 -4.961 9.030 1.00 1.03 C ATOM 255 O ILE A 17 -1.889 -4.706 8.396 1.00 61.41 O ATOM 256 CB ILE A 17 -4.757 -3.558 7.860 1.00 51.31 C ATOM 257 CG1 ILE A 17 -3.817 -2.863 6.816 1.00 71.13 C ATOM 258 CG2 ILE A 17 -6.016 -2.692 8.120 1.00 22.50 C ATOM 259 CD1 ILE A 17 -4.423 -2.673 5.427 1.00 61.10 C ATOM 0 H ILE A 17 -2.905 -2.104 9.279 1.00 43.53 H new ATOM 0 HA ILE A 17 -4.801 -4.288 9.886 1.00 71.43 H new ATOM 0 HB ILE A 17 -5.057 -4.510 7.422 1.00 51.31 H new ATOM 0 HG12 ILE A 17 -3.525 -1.887 7.205 1.00 71.13 H new ATOM 0 HG13 ILE A 17 -2.906 -3.453 6.721 1.00 71.13 H new ATOM 0 HG21 ILE A 17 -6.507 -2.470 7.172 1.00 22.50 H new ATOM 0 HG22 ILE A 17 -6.705 -3.236 8.766 1.00 22.50 H new ATOM 0 HG23 ILE A 17 -5.723 -1.760 8.604 1.00 22.50 H new ATOM 0 HD11 ILE A 17 -3.697 -2.185 4.777 1.00 61.10 H new ATOM 0 HD12 ILE A 17 -4.688 -3.644 5.010 1.00 61.10 H new ATOM 0 HD13 ILE A 17 -5.317 -2.054 5.502 1.00 61.10 H new ATOM 271 N SER A 18 -3.126 -6.138 9.643 1.00 74.44 N ATOM 272 CA SER A 18 -2.247 -7.312 9.473 1.00 72.33 C ATOM 273 C SER A 18 -2.826 -8.284 8.422 1.00 41.40 C ATOM 274 O SER A 18 -2.291 -9.384 8.223 1.00 31.25 O ATOM 275 CB SER A 18 -2.062 -8.007 10.843 1.00 52.31 C ATOM 276 OG SER A 18 -3.315 -8.294 11.452 1.00 34.31 O ATOM 0 H SER A 18 -3.910 -6.305 10.274 1.00 74.44 H new ATOM 0 HA SER A 18 -1.273 -6.987 9.107 1.00 72.33 H new ATOM 0 HB2 SER A 18 -1.500 -8.931 10.711 1.00 52.31 H new ATOM 0 HB3 SER A 18 -1.474 -7.367 11.501 1.00 52.31 H new ATOM 0 HG SER A 18 -3.166 -8.734 12.315 1.00 34.31 H new ATOM 282 N THR A 19 -3.925 -7.861 7.763 1.00 10.25 N ATOM 283 CA THR A 19 -4.581 -8.621 6.700 1.00 64.31 C ATOM 284 C THR A 19 -3.786 -8.481 5.394 1.00 33.11 C ATOM 285 O THR A 19 -3.479 -7.356 4.970 1.00 20.41 O ATOM 286 CB THR A 19 -6.044 -8.100 6.489 1.00 63.25 C ATOM 287 OG1 THR A 19 -6.744 -8.118 7.747 1.00 11.34 O ATOM 288 CG2 THR A 19 -6.836 -8.927 5.455 1.00 44.21 C ATOM 0 H THR A 19 -4.380 -6.970 7.963 1.00 10.25 H new ATOM 0 HA THR A 19 -4.618 -9.672 6.988 1.00 64.31 H new ATOM 0 HB THR A 19 -5.968 -7.085 6.099 1.00 63.25 H new ATOM 0 HG1 THR A 19 -7.659 -7.791 7.617 1.00 11.34 H new ATOM 0 HG21 THR A 19 -7.841 -8.517 5.354 1.00 44.21 H new ATOM 0 HG22 THR A 19 -6.329 -8.887 4.491 1.00 44.21 H new ATOM 0 HG23 THR A 19 -6.899 -9.963 5.789 1.00 44.21 H new ATOM 296 N VAL A 20 -3.448 -9.626 4.771 1.00 30.20 N ATOM 297 CA VAL A 20 -2.830 -9.640 3.439 1.00 71.52 C ATOM 298 C VAL A 20 -3.932 -9.315 2.422 1.00 51.10 C ATOM 299 O VAL A 20 -4.877 -10.100 2.237 1.00 55.43 O ATOM 300 CB VAL A 20 -2.131 -11.018 3.108 1.00 52.12 C ATOM 301 CG1 VAL A 20 -1.618 -11.068 1.644 1.00 53.43 C ATOM 302 CG2 VAL A 20 -0.974 -11.293 4.101 1.00 51.11 C ATOM 0 H VAL A 20 -3.594 -10.552 5.172 1.00 30.20 H new ATOM 0 HA VAL A 20 -2.034 -8.897 3.399 1.00 71.52 H new ATOM 0 HB VAL A 20 -2.881 -11.801 3.218 1.00 52.12 H new ATOM 0 HG11 VAL A 20 -1.144 -12.032 1.457 1.00 53.43 H new ATOM 0 HG12 VAL A 20 -2.457 -10.937 0.960 1.00 53.43 H new ATOM 0 HG13 VAL A 20 -0.893 -10.270 1.485 1.00 53.43 H new ATOM 0 HG21 VAL A 20 -0.504 -12.246 3.858 1.00 51.11 H new ATOM 0 HG22 VAL A 20 -0.235 -10.495 4.028 1.00 51.11 H new ATOM 0 HG23 VAL A 20 -1.368 -11.331 5.117 1.00 51.11 H new ATOM 312 N VAL A 21 -3.817 -8.132 1.820 1.00 22.31 N ATOM 313 CA VAL A 21 -4.820 -7.597 0.891 1.00 63.14 C ATOM 314 C VAL A 21 -4.615 -8.235 -0.487 1.00 75.22 C ATOM 315 O VAL A 21 -3.464 -8.424 -0.915 1.00 15.52 O ATOM 316 CB VAL A 21 -4.719 -6.027 0.794 1.00 21.11 C ATOM 317 CG1 VAL A 21 -5.870 -5.428 -0.051 1.00 40.04 C ATOM 318 CG2 VAL A 21 -4.666 -5.392 2.205 1.00 74.24 C ATOM 0 H VAL A 21 -3.021 -7.511 1.962 1.00 22.31 H new ATOM 0 HA VAL A 21 -5.816 -7.840 1.262 1.00 63.14 H new ATOM 0 HB VAL A 21 -3.788 -5.787 0.280 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -5.764 -4.344 -0.093 1.00 40.04 H new ATOM 0 HG12 VAL A 21 -5.831 -5.836 -1.061 1.00 40.04 H new ATOM 0 HG13 VAL A 21 -6.827 -5.682 0.406 1.00 40.04 H new ATOM 0 HG21 VAL A 21 -4.596 -4.308 2.114 1.00 74.24 H new ATOM 0 HG22 VAL A 21 -5.570 -5.653 2.755 1.00 74.24 H new ATOM 0 HG23 VAL A 21 -3.794 -5.768 2.741 1.00 74.24 H new ATOM 328 N GLY A 22 -5.733 -8.585 -1.152 1.00 54.44 N ATOM 329 CA GLY A 22 -5.700 -9.249 -2.450 1.00 3.03 C ATOM 330 C GLY A 22 -4.986 -8.422 -3.509 1.00 0.23 C ATOM 331 O GLY A 22 -5.353 -7.266 -3.734 1.00 15.12 O ATOM 0 H GLY A 22 -6.674 -8.413 -0.799 1.00 54.44 H new ATOM 0 HA2 GLY A 22 -5.201 -10.213 -2.349 1.00 3.03 H new ATOM 0 HA3 GLY A 22 -6.720 -9.451 -2.778 1.00 3.03 H new ATOM 335 N LEU A 23 -3.964 -9.019 -4.144 1.00 33.23 N ATOM 336 CA LEU A 23 -3.159 -8.360 -5.194 1.00 24.20 C ATOM 337 C LEU A 23 -4.086 -7.916 -6.354 1.00 43.23 C ATOM 338 O LEU A 23 -3.890 -6.852 -6.949 1.00 72.04 O ATOM 339 CB LEU A 23 -2.023 -9.340 -5.655 1.00 54.13 C ATOM 340 CG LEU A 23 -0.775 -8.737 -6.415 1.00 34.33 C ATOM 341 CD1 LEU A 23 0.414 -9.735 -6.431 1.00 54.24 C ATOM 342 CD2 LEU A 23 -1.122 -8.305 -7.858 1.00 13.41 C ATOM 0 H LEU A 23 -3.669 -9.975 -3.945 1.00 33.23 H new ATOM 0 HA LEU A 23 -2.678 -7.459 -4.813 1.00 24.20 H new ATOM 0 HB2 LEU A 23 -1.654 -9.860 -4.771 1.00 54.13 H new ATOM 0 HB3 LEU A 23 -2.475 -10.092 -6.302 1.00 54.13 H new ATOM 0 HG LEU A 23 -0.478 -7.846 -5.861 1.00 34.33 H new ATOM 0 HD11 LEU A 23 1.256 -9.290 -6.961 1.00 54.24 H new ATOM 0 HD12 LEU A 23 0.710 -9.965 -5.407 1.00 54.24 H new ATOM 0 HD13 LEU A 23 0.112 -10.653 -6.936 1.00 54.24 H new ATOM 0 HD21 LEU A 23 -0.233 -7.897 -8.339 1.00 13.41 H new ATOM 0 HD22 LEU A 23 -1.476 -9.169 -8.421 1.00 13.41 H new ATOM 0 HD23 LEU A 23 -1.902 -7.544 -7.832 1.00 13.41 H new ATOM 354 N ASN A 24 -5.133 -8.729 -6.605 1.00 44.12 N ATOM 355 CA ASN A 24 -6.155 -8.455 -7.628 1.00 11.32 C ATOM 356 C ASN A 24 -6.991 -7.202 -7.279 1.00 54.12 C ATOM 357 O ASN A 24 -7.409 -6.465 -8.174 1.00 74.14 O ATOM 358 CB ASN A 24 -7.079 -9.690 -7.790 1.00 13.50 C ATOM 359 CG ASN A 24 -8.094 -9.556 -8.934 1.00 41.33 C ATOM 360 OD1 ASN A 24 -7.818 -9.919 -10.077 1.00 14.31 O ATOM 361 ND2 ASN A 24 -9.256 -8.999 -8.652 1.00 22.54 N ATOM 0 H ASN A 24 -5.291 -9.600 -6.098 1.00 44.12 H new ATOM 0 HA ASN A 24 -5.645 -8.256 -8.570 1.00 11.32 H new ATOM 0 HB2 ASN A 24 -6.464 -10.573 -7.964 1.00 13.50 H new ATOM 0 HB3 ASN A 24 -7.617 -9.855 -6.856 1.00 13.50 H new ATOM 0 HD21 ASN A 24 -9.948 -8.861 -9.389 1.00 22.54 H new ATOM 0 HD22 ASN A 24 -9.463 -8.706 -7.697 1.00 22.54 H new ATOM 368 N ILE A 25 -7.242 -6.956 -5.966 1.00 63.33 N ATOM 369 CA ILE A 25 -8.069 -5.799 -5.537 1.00 43.42 C ATOM 370 C ILE A 25 -7.211 -4.548 -5.248 1.00 31.03 C ATOM 371 O ILE A 25 -7.751 -3.524 -4.837 1.00 3.53 O ATOM 372 CB ILE A 25 -9.039 -6.120 -4.323 1.00 14.35 C ATOM 373 CG1 ILE A 25 -8.265 -6.341 -2.986 1.00 25.33 C ATOM 374 CG2 ILE A 25 -9.938 -7.337 -4.655 1.00 70.42 C ATOM 375 CD1 ILE A 25 -9.144 -6.554 -1.754 1.00 54.10 C ATOM 0 H ILE A 25 -6.891 -7.531 -5.200 1.00 63.33 H new ATOM 0 HA ILE A 25 -8.712 -5.579 -6.389 1.00 43.42 H new ATOM 0 HB ILE A 25 -9.674 -5.246 -4.175 1.00 14.35 H new ATOM 0 HG12 ILE A 25 -7.612 -7.206 -3.101 1.00 25.33 H new ATOM 0 HG13 ILE A 25 -7.622 -5.478 -2.810 1.00 25.33 H new ATOM 0 HG21 ILE A 25 -10.597 -7.543 -3.812 1.00 70.42 H new ATOM 0 HG22 ILE A 25 -10.537 -7.116 -5.538 1.00 70.42 H new ATOM 0 HG23 ILE A 25 -9.313 -8.209 -4.849 1.00 70.42 H new ATOM 0 HD11 ILE A 25 -8.513 -6.698 -0.877 1.00 54.10 H new ATOM 0 HD12 ILE A 25 -9.779 -5.681 -1.604 1.00 54.10 H new ATOM 0 HD13 ILE A 25 -9.768 -7.435 -1.900 1.00 54.10 H new ATOM 387 N ILE A 26 -5.882 -4.632 -5.485 1.00 33.52 N ATOM 388 CA ILE A 26 -5.000 -3.442 -5.485 1.00 10.23 C ATOM 389 C ILE A 26 -5.167 -2.708 -6.830 1.00 15.50 C ATOM 390 O ILE A 26 -5.147 -3.345 -7.893 1.00 5.05 O ATOM 391 CB ILE A 26 -3.468 -3.806 -5.291 1.00 11.32 C ATOM 392 CG1 ILE A 26 -3.225 -4.725 -4.041 1.00 53.24 C ATOM 393 CG2 ILE A 26 -2.595 -2.517 -5.213 1.00 2.21 C ATOM 394 CD1 ILE A 26 -3.582 -4.135 -2.693 1.00 65.33 C ATOM 0 H ILE A 26 -5.398 -5.509 -5.678 1.00 33.52 H new ATOM 0 HA ILE A 26 -5.294 -2.817 -4.642 1.00 10.23 H new ATOM 0 HB ILE A 26 -3.164 -4.377 -6.168 1.00 11.32 H new ATOM 0 HG12 ILE A 26 -3.798 -5.643 -4.175 1.00 53.24 H new ATOM 0 HG13 ILE A 26 -2.172 -5.006 -4.023 1.00 53.24 H new ATOM 0 HG21 ILE A 26 -1.549 -2.793 -5.080 1.00 2.21 H new ATOM 0 HG22 ILE A 26 -2.705 -1.947 -6.135 1.00 2.21 H new ATOM 0 HG23 ILE A 26 -2.920 -1.908 -4.369 1.00 2.21 H new ATOM 0 HD11 ILE A 26 -3.370 -4.863 -1.910 1.00 65.33 H new ATOM 0 HD12 ILE A 26 -2.991 -3.235 -2.522 1.00 65.33 H new ATOM 0 HD13 ILE A 26 -4.642 -3.882 -2.676 1.00 65.33 H new ATOM 406 N ASP A 27 -5.349 -1.384 -6.771 1.00 43.41 N ATOM 407 CA ASP A 27 -5.429 -0.522 -7.972 1.00 13.32 C ATOM 408 C ASP A 27 -4.098 0.216 -8.175 1.00 50.32 C ATOM 409 O ASP A 27 -3.462 0.091 -9.229 1.00 51.55 O ATOM 410 CB ASP A 27 -6.613 0.473 -7.826 1.00 41.13 C ATOM 411 CG ASP A 27 -6.627 1.632 -8.845 1.00 63.13 C ATOM 412 OD1 ASP A 27 -6.682 2.808 -8.425 1.00 13.41 O ATOM 413 OD2 ASP A 27 -6.615 1.370 -10.071 1.00 72.33 O ATOM 0 H ASP A 27 -5.446 -0.873 -5.893 1.00 43.41 H new ATOM 0 HA ASP A 27 -5.610 -1.137 -8.854 1.00 13.32 H new ATOM 0 HB2 ASP A 27 -7.547 -0.082 -7.918 1.00 41.13 H new ATOM 0 HB3 ASP A 27 -6.591 0.894 -6.821 1.00 41.13 H new ATOM 418 N ARG A 28 -3.668 0.956 -7.139 1.00 34.32 N ATOM 419 CA ARG A 28 -2.427 1.753 -7.172 1.00 72.04 C ATOM 420 C ARG A 28 -1.740 1.758 -5.798 1.00 62.35 C ATOM 421 O ARG A 28 -2.385 1.567 -4.762 1.00 64.21 O ATOM 422 CB ARG A 28 -2.709 3.214 -7.639 1.00 70.24 C ATOM 423 CG ARG A 28 -2.847 3.413 -9.170 1.00 64.21 C ATOM 424 CD ARG A 28 -3.082 4.887 -9.547 1.00 32.12 C ATOM 425 NE ARG A 28 -2.070 5.771 -8.929 1.00 43.21 N ATOM 426 CZ ARG A 28 -2.330 6.807 -8.106 1.00 21.02 C ATOM 427 NH1 ARG A 28 -3.583 7.131 -7.779 1.00 30.10 N ATOM 428 NH2 ARG A 28 -1.327 7.493 -7.575 1.00 53.25 N ATOM 0 H ARG A 28 -4.171 1.019 -6.254 1.00 34.32 H new ATOM 0 HA ARG A 28 -1.756 1.286 -7.893 1.00 72.04 H new ATOM 0 HB2 ARG A 28 -3.627 3.558 -7.162 1.00 70.24 H new ATOM 0 HB3 ARG A 28 -1.903 3.853 -7.279 1.00 70.24 H new ATOM 0 HG2 ARG A 28 -1.945 3.053 -9.664 1.00 64.21 H new ATOM 0 HG3 ARG A 28 -3.675 2.809 -9.540 1.00 64.21 H new ATOM 0 HD2 ARG A 28 -3.049 4.996 -10.631 1.00 32.12 H new ATOM 0 HD3 ARG A 28 -4.078 5.192 -9.226 1.00 32.12 H new ATOM 0 HE ARG A 28 -1.091 5.581 -9.144 1.00 43.21 H new ATOM 0 HH11 ARG A 28 -4.364 6.591 -8.153 1.00 30.10 H new ATOM 0 HH12 ARG A 28 -3.760 7.918 -7.155 1.00 30.10 H new ATOM 0 HH21 ARG A 28 -0.363 7.236 -7.790 1.00 53.25 H new ATOM 0 HH22 ARG A 28 -1.519 8.277 -6.952 1.00 53.25 H new ATOM 442 N ILE A 29 -0.417 1.996 -5.833 1.00 23.01 N ATOM 443 CA ILE A 29 0.445 2.114 -4.648 1.00 62.40 C ATOM 444 C ILE A 29 0.955 3.566 -4.571 1.00 32.12 C ATOM 445 O ILE A 29 1.708 4.000 -5.452 1.00 54.14 O ATOM 446 CB ILE A 29 1.675 1.121 -4.760 1.00 4.23 C ATOM 447 CG1 ILE A 29 1.186 -0.350 -4.971 1.00 74.41 C ATOM 448 CG2 ILE A 29 2.606 1.223 -3.527 1.00 51.21 C ATOM 449 CD1 ILE A 29 2.290 -1.343 -5.305 1.00 15.40 C ATOM 0 H ILE A 29 0.093 2.114 -6.708 1.00 23.01 H new ATOM 0 HA ILE A 29 -0.120 1.859 -3.751 1.00 62.40 H new ATOM 0 HB ILE A 29 2.256 1.417 -5.633 1.00 4.23 H new ATOM 0 HG12 ILE A 29 0.677 -0.683 -4.066 1.00 74.41 H new ATOM 0 HG13 ILE A 29 0.449 -0.362 -5.774 1.00 74.41 H new ATOM 0 HG21 ILE A 29 3.437 0.527 -3.640 1.00 51.21 H new ATOM 0 HG22 ILE A 29 2.992 2.239 -3.445 1.00 51.21 H new ATOM 0 HG23 ILE A 29 2.045 0.974 -2.626 1.00 51.21 H new ATOM 0 HD11 ILE A 29 1.859 -2.336 -5.434 1.00 15.40 H new ATOM 0 HD12 ILE A 29 2.785 -1.040 -6.227 1.00 15.40 H new ATOM 0 HD13 ILE A 29 3.017 -1.365 -4.493 1.00 15.40 H new ATOM 461 N GLN A 30 0.509 4.322 -3.558 1.00 72.04 N ATOM 462 CA GLN A 30 0.952 5.714 -3.336 1.00 14.03 C ATOM 463 C GLN A 30 1.957 5.735 -2.168 1.00 11.33 C ATOM 464 O GLN A 30 1.670 5.216 -1.091 1.00 63.24 O ATOM 465 CB GLN A 30 -0.268 6.635 -3.034 1.00 34.55 C ATOM 466 CG GLN A 30 0.094 8.124 -2.828 1.00 44.33 C ATOM 467 CD GLN A 30 -1.108 9.032 -2.566 1.00 54.00 C ATOM 468 OE1 GLN A 30 -2.103 8.622 -1.974 1.00 22.11 O ATOM 469 NE2 GLN A 30 -1.027 10.278 -3.006 1.00 15.05 N ATOM 0 H GLN A 30 -0.167 3.991 -2.869 1.00 72.04 H new ATOM 0 HA GLN A 30 1.436 6.093 -4.236 1.00 14.03 H new ATOM 0 HB2 GLN A 30 -0.980 6.557 -3.856 1.00 34.55 H new ATOM 0 HB3 GLN A 30 -0.772 6.269 -2.140 1.00 34.55 H new ATOM 0 HG2 GLN A 30 0.786 8.205 -1.990 1.00 44.33 H new ATOM 0 HG3 GLN A 30 0.621 8.484 -3.712 1.00 44.33 H new ATOM 0 HE21 GLN A 30 -0.189 10.593 -3.495 1.00 15.05 H new ATOM 0 HE22 GLN A 30 -1.803 10.923 -2.856 1.00 15.05 H new ATOM 478 N VAL A 31 3.132 6.333 -2.400 1.00 62.43 N ATOM 479 CA VAL A 31 4.215 6.408 -1.402 1.00 5.40 C ATOM 480 C VAL A 31 4.221 7.810 -0.756 1.00 41.24 C ATOM 481 O VAL A 31 4.343 8.822 -1.455 1.00 43.30 O ATOM 482 CB VAL A 31 5.622 6.097 -2.058 1.00 44.40 C ATOM 483 CG1 VAL A 31 6.775 6.244 -1.036 1.00 25.30 C ATOM 484 CG2 VAL A 31 5.632 4.686 -2.708 1.00 41.24 C ATOM 0 H VAL A 31 3.363 6.781 -3.287 1.00 62.43 H new ATOM 0 HA VAL A 31 4.035 5.655 -0.635 1.00 5.40 H new ATOM 0 HB VAL A 31 5.786 6.835 -2.843 1.00 44.40 H new ATOM 0 HG11 VAL A 31 7.724 6.022 -1.524 1.00 25.30 H new ATOM 0 HG12 VAL A 31 6.793 7.264 -0.653 1.00 25.30 H new ATOM 0 HG13 VAL A 31 6.620 5.549 -0.211 1.00 25.30 H new ATOM 0 HG21 VAL A 31 6.610 4.497 -3.152 1.00 41.24 H new ATOM 0 HG22 VAL A 31 5.427 3.933 -1.947 1.00 41.24 H new ATOM 0 HG23 VAL A 31 4.867 4.637 -3.482 1.00 41.24 H new ATOM 494 N THR A 32 4.047 7.850 0.580 1.00 20.14 N ATOM 495 CA THR A 32 4.124 9.084 1.377 1.00 32.43 C ATOM 496 C THR A 32 5.554 9.214 1.944 1.00 55.33 C ATOM 497 O THR A 32 5.938 8.402 2.786 1.00 64.05 O ATOM 498 CB THR A 32 3.075 9.056 2.539 1.00 65.22 C ATOM 499 OG1 THR A 32 1.784 8.725 2.006 1.00 71.11 O ATOM 500 CG2 THR A 32 3.008 10.396 3.311 1.00 24.45 C ATOM 0 H THR A 32 3.848 7.019 1.137 1.00 20.14 H new ATOM 0 HA THR A 32 3.897 9.943 0.746 1.00 32.43 H new ATOM 0 HB THR A 32 3.392 8.297 3.254 1.00 65.22 H new ATOM 0 HG1 THR A 32 1.126 8.705 2.732 1.00 71.11 H new ATOM 0 HG21 THR A 32 2.265 10.322 4.105 1.00 24.45 H new ATOM 0 HG22 THR A 32 3.983 10.615 3.746 1.00 24.45 H new ATOM 0 HG23 THR A 32 2.728 11.197 2.626 1.00 24.45 H new ATOM 508 N PRO A 33 6.377 10.204 1.456 1.00 35.24 N ATOM 509 CA PRO A 33 7.772 10.408 1.940 1.00 52.20 C ATOM 510 C PRO A 33 7.827 10.945 3.397 1.00 14.31 C ATOM 511 O PRO A 33 6.859 11.565 3.864 1.00 2.30 O ATOM 512 CB PRO A 33 8.365 11.438 0.919 1.00 71.32 C ATOM 513 CG PRO A 33 7.391 11.466 -0.228 1.00 13.51 C ATOM 514 CD PRO A 33 6.043 11.191 0.391 1.00 23.12 C ATOM 0 HA PRO A 33 8.334 9.475 1.982 1.00 52.20 H new ATOM 0 HB2 PRO A 33 8.469 12.424 1.371 1.00 71.32 H new ATOM 0 HB3 PRO A 33 9.357 11.134 0.585 1.00 71.32 H new ATOM 0 HG2 PRO A 33 7.403 12.433 -0.731 1.00 13.51 H new ATOM 0 HG3 PRO A 33 7.642 10.714 -0.976 1.00 13.51 H new ATOM 0 HD2 PRO A 33 5.592 12.095 0.801 1.00 23.12 H new ATOM 0 HD3 PRO A 33 5.338 10.784 -0.334 1.00 23.12 H new ATOM 522 N PRO A 34 8.964 10.726 4.141 1.00 72.40 N ATOM 523 CA PRO A 34 9.125 11.250 5.513 1.00 5.23 C ATOM 524 C PRO A 34 9.533 12.745 5.520 1.00 44.31 C ATOM 525 O PRO A 34 9.943 13.297 4.486 1.00 5.21 O ATOM 526 CB PRO A 34 10.225 10.340 6.101 1.00 30.34 C ATOM 527 CG PRO A 34 11.088 9.978 4.931 1.00 75.51 C ATOM 528 CD PRO A 34 10.176 9.965 3.710 1.00 30.51 C ATOM 0 HA PRO A 34 8.202 11.228 6.092 1.00 5.23 H new ATOM 0 HB2 PRO A 34 10.798 10.858 6.870 1.00 30.34 H new ATOM 0 HB3 PRO A 34 9.797 9.452 6.567 1.00 30.34 H new ATOM 0 HG2 PRO A 34 11.895 10.700 4.805 1.00 75.51 H new ATOM 0 HG3 PRO A 34 11.553 9.003 5.079 1.00 75.51 H new ATOM 0 HD2 PRO A 34 10.655 10.435 2.851 1.00 30.51 H new ATOM 0 HD3 PRO A 34 9.922 8.947 3.415 1.00 30.51 H new ATOM 536 N GLY A 35 9.409 13.396 6.692 1.00 51.13 N ATOM 537 CA GLY A 35 9.647 14.838 6.826 1.00 64.15 C ATOM 538 C GLY A 35 8.415 15.669 6.463 1.00 5.12 C ATOM 539 O GLY A 35 7.994 16.535 7.239 1.00 12.24 O ATOM 0 H GLY A 35 9.143 12.938 7.564 1.00 51.13 H new ATOM 0 HA2 GLY A 35 9.943 15.061 7.851 1.00 64.15 H new ATOM 0 HA3 GLY A 35 10.479 15.127 6.184 1.00 64.15 H new ATOM 543 N ASN A 36 7.848 15.402 5.269 1.00 75.12 N ATOM 544 CA ASN A 36 6.683 16.132 4.727 1.00 22.31 C ATOM 545 C ASN A 36 5.381 15.676 5.415 1.00 41.10 C ATOM 546 O ASN A 36 4.670 14.798 4.908 1.00 62.13 O ATOM 547 CB ASN A 36 6.600 15.950 3.180 1.00 71.45 C ATOM 548 CG ASN A 36 7.816 16.508 2.433 1.00 15.22 C ATOM 549 OD1 ASN A 36 8.446 17.472 2.872 1.00 45.40 O ATOM 550 ND2 ASN A 36 8.141 15.927 1.288 1.00 12.41 N ATOM 0 H ASN A 36 8.188 14.668 4.648 1.00 75.12 H new ATOM 0 HA ASN A 36 6.811 17.194 4.936 1.00 22.31 H new ATOM 0 HB2 ASN A 36 6.499 14.889 2.952 1.00 71.45 H new ATOM 0 HB3 ASN A 36 5.700 16.442 2.812 1.00 71.45 H new ATOM 0 HD21 ASN A 36 8.931 16.276 0.745 1.00 12.41 H new ATOM 0 HD22 ASN A 36 7.601 15.130 0.949 1.00 12.41 H new ATOM 557 N GLY A 37 5.134 16.227 6.623 1.00 12.13 N ATOM 558 CA GLY A 37 3.910 15.959 7.396 1.00 15.21 C ATOM 559 C GLY A 37 3.901 14.621 8.131 1.00 43.00 C ATOM 560 O GLY A 37 3.084 14.417 9.025 1.00 31.32 O ATOM 0 H GLY A 37 5.778 16.868 7.086 1.00 12.13 H new ATOM 0 HA2 GLY A 37 3.773 16.759 8.124 1.00 15.21 H new ATOM 0 HA3 GLY A 37 3.055 15.993 6.721 1.00 15.21 H new ATOM 564 N CYS A 38 4.815 13.712 7.772 1.00 1.43 N ATOM 565 CA CYS A 38 4.850 12.352 8.324 1.00 10.05 C ATOM 566 C CYS A 38 6.292 12.022 8.762 1.00 11.23 C ATOM 567 O CYS A 38 7.220 12.276 7.999 1.00 1.11 O ATOM 568 CB CYS A 38 4.348 11.341 7.267 1.00 1.25 C ATOM 569 SG CYS A 38 3.926 9.715 7.965 1.00 23.34 S ATOM 0 H CYS A 38 5.551 13.898 7.091 1.00 1.43 H new ATOM 0 HA CYS A 38 4.194 12.286 9.192 1.00 10.05 H new ATOM 0 HB2 CYS A 38 3.470 11.753 6.769 1.00 1.25 H new ATOM 0 HB3 CYS A 38 5.116 11.212 6.504 1.00 1.25 H new ATOM 574 N PRO A 39 6.516 11.456 9.999 1.00 3.32 N ATOM 575 CA PRO A 39 7.876 11.114 10.490 1.00 14.43 C ATOM 576 C PRO A 39 8.389 9.754 9.949 1.00 54.20 C ATOM 577 O PRO A 39 9.471 9.293 10.339 1.00 1.30 O ATOM 578 CB PRO A 39 7.672 11.092 12.022 1.00 51.14 C ATOM 579 CG PRO A 39 6.261 10.608 12.212 1.00 33.33 C ATOM 580 CD PRO A 39 5.472 11.105 11.008 1.00 74.10 C ATOM 0 HA PRO A 39 8.639 11.818 10.158 1.00 14.43 H new ATOM 0 HB2 PRO A 39 8.387 10.428 12.507 1.00 51.14 H new ATOM 0 HB3 PRO A 39 7.813 12.083 12.455 1.00 51.14 H new ATOM 0 HG2 PRO A 39 6.228 9.520 12.276 1.00 33.33 H new ATOM 0 HG3 PRO A 39 5.839 10.995 13.140 1.00 33.33 H new ATOM 0 HD2 PRO A 39 4.797 10.337 10.631 1.00 74.10 H new ATOM 0 HD3 PRO A 39 4.860 11.970 11.264 1.00 74.10 H new ATOM 588 N LYS A 40 7.612 9.138 9.037 1.00 45.24 N ATOM 589 CA LYS A 40 7.920 7.830 8.426 1.00 54.25 C ATOM 590 C LYS A 40 7.457 7.827 6.951 1.00 41.43 C ATOM 591 O LYS A 40 6.635 8.660 6.546 1.00 33.00 O ATOM 592 CB LYS A 40 7.194 6.697 9.216 1.00 12.24 C ATOM 593 CG LYS A 40 7.510 5.250 8.747 1.00 33.31 C ATOM 594 CD LYS A 40 8.929 4.753 9.128 1.00 71.23 C ATOM 595 CE LYS A 40 8.979 4.027 10.488 1.00 15.33 C ATOM 596 NZ LYS A 40 8.505 4.867 11.623 1.00 1.22 N ATOM 0 H LYS A 40 6.739 9.542 8.699 1.00 45.24 H new ATOM 0 HA LYS A 40 8.995 7.655 8.463 1.00 54.25 H new ATOM 0 HB2 LYS A 40 7.458 6.785 10.270 1.00 12.24 H new ATOM 0 HB3 LYS A 40 6.118 6.858 9.143 1.00 12.24 H new ATOM 0 HG2 LYS A 40 6.772 4.572 9.176 1.00 33.31 H new ATOM 0 HG3 LYS A 40 7.398 5.199 7.664 1.00 33.31 H new ATOM 0 HD2 LYS A 40 9.291 4.079 8.351 1.00 71.23 H new ATOM 0 HD3 LYS A 40 9.609 5.604 9.154 1.00 71.23 H new ATOM 0 HE2 LYS A 40 8.369 3.125 10.433 1.00 15.33 H new ATOM 0 HE3 LYS A 40 10.003 3.708 10.684 1.00 15.33 H new ATOM 0 HZ1 LYS A 40 8.674 4.367 12.519 1.00 1.22 H new ATOM 0 HZ2 LYS A 40 9.022 5.769 11.627 1.00 1.22 H new ATOM 0 HZ3 LYS A 40 7.487 5.052 11.516 1.00 1.22 H new ATOM 610 N THR A 41 8.025 6.908 6.149 1.00 5.10 N ATOM 611 CA THR A 41 7.518 6.602 4.814 1.00 35.21 C ATOM 612 C THR A 41 6.322 5.641 4.960 1.00 70.02 C ATOM 613 O THR A 41 6.484 4.502 5.417 1.00 34.35 O ATOM 614 CB THR A 41 8.624 5.949 3.930 1.00 15.01 C ATOM 615 OG1 THR A 41 9.806 6.766 3.962 1.00 4.50 O ATOM 616 CG2 THR A 41 8.172 5.757 2.461 1.00 60.10 C ATOM 0 H THR A 41 8.845 6.363 6.414 1.00 5.10 H new ATOM 0 HA THR A 41 7.207 7.525 4.324 1.00 35.21 H new ATOM 0 HB THR A 41 8.829 4.961 4.341 1.00 15.01 H new ATOM 0 HG1 THR A 41 10.502 6.356 3.408 1.00 4.50 H new ATOM 0 HG21 THR A 41 8.979 5.299 1.889 1.00 60.10 H new ATOM 0 HG22 THR A 41 7.294 5.111 2.432 1.00 60.10 H new ATOM 0 HG23 THR A 41 7.924 6.726 2.027 1.00 60.10 H new ATOM 624 N GLU A 42 5.136 6.123 4.587 1.00 61.32 N ATOM 625 CA GLU A 42 3.867 5.374 4.704 1.00 64.21 C ATOM 626 C GLU A 42 3.372 4.971 3.307 1.00 12.13 C ATOM 627 O GLU A 42 3.089 5.840 2.479 1.00 43.23 O ATOM 628 CB GLU A 42 2.796 6.261 5.411 1.00 21.42 C ATOM 629 CG GLU A 42 3.115 6.641 6.875 1.00 1.22 C ATOM 630 CD GLU A 42 3.131 5.442 7.851 1.00 11.51 C ATOM 631 OE1 GLU A 42 4.125 5.262 8.590 1.00 42.14 O ATOM 632 OE2 GLU A 42 2.144 4.675 7.887 1.00 10.35 O ATOM 0 H GLU A 42 5.019 7.055 4.189 1.00 61.32 H new ATOM 0 HA GLU A 42 4.033 4.474 5.297 1.00 64.21 H new ATOM 0 HB2 GLU A 42 2.669 7.177 4.835 1.00 21.42 H new ATOM 0 HB3 GLU A 42 1.841 5.736 5.389 1.00 21.42 H new ATOM 0 HG2 GLU A 42 4.086 7.135 6.907 1.00 1.22 H new ATOM 0 HG3 GLU A 42 2.378 7.366 7.220 1.00 1.22 H new ATOM 639 N VAL A 43 3.279 3.655 3.033 1.00 32.42 N ATOM 640 CA VAL A 43 2.693 3.165 1.772 1.00 35.14 C ATOM 641 C VAL A 43 1.161 3.163 1.908 1.00 72.15 C ATOM 642 O VAL A 43 0.574 2.288 2.559 1.00 14.22 O ATOM 643 CB VAL A 43 3.215 1.731 1.368 1.00 63.05 C ATOM 644 CG1 VAL A 43 2.480 1.192 0.115 1.00 22.41 C ATOM 645 CG2 VAL A 43 4.742 1.744 1.137 1.00 64.21 C ATOM 0 H VAL A 43 3.599 2.919 3.662 1.00 32.42 H new ATOM 0 HA VAL A 43 3.005 3.837 0.972 1.00 35.14 H new ATOM 0 HB VAL A 43 2.998 1.059 2.198 1.00 63.05 H new ATOM 0 HG11 VAL A 43 2.864 0.203 -0.135 1.00 22.41 H new ATOM 0 HG12 VAL A 43 1.412 1.125 0.321 1.00 22.41 H new ATOM 0 HG13 VAL A 43 2.646 1.868 -0.723 1.00 22.41 H new ATOM 0 HG21 VAL A 43 5.077 0.744 0.860 1.00 64.21 H new ATOM 0 HG22 VAL A 43 4.983 2.442 0.336 1.00 64.21 H new ATOM 0 HG23 VAL A 43 5.246 2.054 2.052 1.00 64.21 H new ATOM 655 N VAL A 44 0.540 4.183 1.308 1.00 62.53 N ATOM 656 CA VAL A 44 -0.910 4.332 1.237 1.00 52.34 C ATOM 657 C VAL A 44 -1.388 3.677 -0.068 1.00 30.23 C ATOM 658 O VAL A 44 -1.145 4.197 -1.157 1.00 74.51 O ATOM 659 CB VAL A 44 -1.304 5.866 1.264 1.00 0.14 C ATOM 660 CG1 VAL A 44 -2.827 6.079 1.122 1.00 42.31 C ATOM 661 CG2 VAL A 44 -0.761 6.549 2.546 1.00 10.43 C ATOM 0 H VAL A 44 1.045 4.942 0.850 1.00 62.53 H new ATOM 0 HA VAL A 44 -1.384 3.851 2.093 1.00 52.34 H new ATOM 0 HB VAL A 44 -0.837 6.336 0.399 1.00 0.14 H new ATOM 0 HG11 VAL A 44 -3.049 7.146 1.146 1.00 42.31 H new ATOM 0 HG12 VAL A 44 -3.166 5.659 0.175 1.00 42.31 H new ATOM 0 HG13 VAL A 44 -3.342 5.583 1.945 1.00 42.31 H new ATOM 0 HG21 VAL A 44 -1.043 7.602 2.544 1.00 10.43 H new ATOM 0 HG22 VAL A 44 -1.183 6.062 3.425 1.00 10.43 H new ATOM 0 HG23 VAL A 44 0.325 6.464 2.571 1.00 10.43 H new ATOM 671 N ILE A 45 -2.060 2.530 0.042 1.00 70.42 N ATOM 672 CA ILE A 45 -2.579 1.806 -1.124 1.00 13.34 C ATOM 673 C ILE A 45 -4.044 2.213 -1.360 1.00 12.21 C ATOM 674 O ILE A 45 -4.818 2.375 -0.410 1.00 21.41 O ATOM 675 CB ILE A 45 -2.476 0.242 -0.942 1.00 45.10 C ATOM 676 CG1 ILE A 45 -0.992 -0.196 -0.766 1.00 20.13 C ATOM 677 CG2 ILE A 45 -3.148 -0.513 -2.113 1.00 12.40 C ATOM 678 CD1 ILE A 45 -0.779 -1.692 -0.603 1.00 51.44 C ATOM 0 H ILE A 45 -2.260 2.078 0.934 1.00 70.42 H new ATOM 0 HA ILE A 45 -1.970 2.072 -1.988 1.00 13.34 H new ATOM 0 HB ILE A 45 -3.018 -0.023 -0.034 1.00 45.10 H new ATOM 0 HG12 ILE A 45 -0.423 0.145 -1.631 1.00 20.13 H new ATOM 0 HG13 ILE A 45 -0.580 0.312 0.106 1.00 20.13 H new ATOM 0 HG21 ILE A 45 -3.057 -1.587 -1.953 1.00 12.40 H new ATOM 0 HG22 ILE A 45 -4.202 -0.241 -2.164 1.00 12.40 H new ATOM 0 HG23 ILE A 45 -2.659 -0.243 -3.049 1.00 12.40 H new ATOM 0 HD11 ILE A 45 0.285 -1.898 -0.487 1.00 51.44 H new ATOM 0 HD12 ILE A 45 -1.314 -2.042 0.280 1.00 51.44 H new ATOM 0 HD13 ILE A 45 -1.155 -2.211 -1.485 1.00 51.44 H new ATOM 690 N TRP A 46 -4.391 2.415 -2.632 1.00 4.23 N ATOM 691 CA TRP A 46 -5.763 2.628 -3.087 1.00 40.43 C ATOM 692 C TRP A 46 -6.226 1.334 -3.752 1.00 60.24 C ATOM 693 O TRP A 46 -5.581 0.859 -4.700 1.00 70.32 O ATOM 694 CB TRP A 46 -5.806 3.814 -4.081 1.00 61.14 C ATOM 695 CG TRP A 46 -5.462 5.134 -3.433 1.00 51.25 C ATOM 696 CD1 TRP A 46 -4.213 5.583 -3.090 1.00 32.45 C ATOM 697 CD2 TRP A 46 -6.374 6.183 -3.082 1.00 23.54 C ATOM 698 NE1 TRP A 46 -4.307 6.819 -2.507 1.00 61.44 N ATOM 699 CE2 TRP A 46 -5.614 7.220 -2.511 1.00 3.30 C ATOM 700 CE3 TRP A 46 -7.763 6.341 -3.191 1.00 44.52 C ATOM 701 CZ2 TRP A 46 -6.192 8.396 -2.047 1.00 53.13 C ATOM 702 CZ3 TRP A 46 -8.337 7.517 -2.740 1.00 53.12 C ATOM 703 CH2 TRP A 46 -7.550 8.533 -2.178 1.00 4.54 C ATOM 0 H TRP A 46 -3.709 2.435 -3.391 1.00 4.23 H new ATOM 0 HA TRP A 46 -6.423 2.875 -2.255 1.00 40.43 H new ATOM 0 HB2 TRP A 46 -5.110 3.623 -4.898 1.00 61.14 H new ATOM 0 HB3 TRP A 46 -6.802 3.878 -4.520 1.00 61.14 H new ATOM 0 HD1 TRP A 46 -3.292 5.043 -3.255 1.00 32.45 H new ATOM 0 HE1 TRP A 46 -3.526 7.355 -2.130 1.00 61.44 H new ATOM 0 HE3 TRP A 46 -8.374 5.560 -3.619 1.00 44.52 H new ATOM 0 HZ2 TRP A 46 -5.592 9.175 -1.599 1.00 53.13 H new ATOM 0 HZ3 TRP A 46 -9.405 7.654 -2.822 1.00 53.12 H new ATOM 0 HH2 TRP A 46 -8.024 9.443 -1.841 1.00 4.54 H new ATOM 714 N THR A 47 -7.295 0.732 -3.214 1.00 32.44 N ATOM 715 CA THR A 47 -7.899 -0.471 -3.800 1.00 24.24 C ATOM 716 C THR A 47 -8.750 -0.094 -5.037 1.00 74.44 C ATOM 717 O THR A 47 -8.993 1.092 -5.299 1.00 31.14 O ATOM 718 CB THR A 47 -8.773 -1.223 -2.738 1.00 32.23 C ATOM 719 OG1 THR A 47 -9.718 -0.313 -2.158 1.00 13.31 O ATOM 720 CG2 THR A 47 -7.911 -1.844 -1.620 1.00 41.12 C ATOM 0 H THR A 47 -7.761 1.061 -2.369 1.00 32.44 H new ATOM 0 HA THR A 47 -7.100 -1.141 -4.119 1.00 24.24 H new ATOM 0 HB THR A 47 -9.293 -2.032 -3.251 1.00 32.23 H new ATOM 0 HG1 THR A 47 -9.249 0.314 -1.569 1.00 13.31 H new ATOM 0 HG21 THR A 47 -8.556 -2.356 -0.905 1.00 41.12 H new ATOM 0 HG22 THR A 47 -7.212 -2.559 -2.054 1.00 41.12 H new ATOM 0 HG23 THR A 47 -7.356 -1.057 -1.109 1.00 41.12 H new ATOM 728 N LYS A 48 -9.167 -1.114 -5.809 1.00 23.33 N ATOM 729 CA LYS A 48 -10.106 -0.940 -6.944 1.00 31.05 C ATOM 730 C LYS A 48 -11.550 -0.679 -6.443 1.00 54.43 C ATOM 731 O LYS A 48 -12.439 -0.317 -7.219 1.00 51.44 O ATOM 732 CB LYS A 48 -10.036 -2.173 -7.893 1.00 22.05 C ATOM 733 CG LYS A 48 -10.557 -3.507 -7.306 1.00 11.42 C ATOM 734 CD LYS A 48 -10.436 -4.692 -8.303 1.00 15.53 C ATOM 735 CE LYS A 48 -11.202 -4.455 -9.615 1.00 1.11 C ATOM 736 NZ LYS A 48 -11.039 -5.592 -10.564 1.00 13.11 N ATOM 0 H LYS A 48 -8.867 -2.079 -5.669 1.00 23.33 H new ATOM 0 HA LYS A 48 -9.805 -0.060 -7.513 1.00 31.05 H new ATOM 0 HB2 LYS A 48 -10.607 -1.947 -8.794 1.00 22.05 H new ATOM 0 HB3 LYS A 48 -8.999 -2.313 -8.199 1.00 22.05 H new ATOM 0 HG2 LYS A 48 -9.999 -3.742 -6.400 1.00 11.42 H new ATOM 0 HG3 LYS A 48 -11.601 -3.388 -7.016 1.00 11.42 H new ATOM 0 HD2 LYS A 48 -9.384 -4.863 -8.529 1.00 15.53 H new ATOM 0 HD3 LYS A 48 -10.811 -5.599 -7.828 1.00 15.53 H new ATOM 0 HE2 LYS A 48 -12.260 -4.312 -9.397 1.00 1.11 H new ATOM 0 HE3 LYS A 48 -10.846 -3.537 -10.083 1.00 1.11 H new ATOM 0 HZ1 LYS A 48 -11.570 -5.395 -11.436 1.00 13.11 H new ATOM 0 HZ2 LYS A 48 -10.031 -5.712 -10.792 1.00 13.11 H new ATOM 0 HZ3 LYS A 48 -11.402 -6.463 -10.127 1.00 13.11 H new ATOM 750 N MET A 49 -11.748 -0.880 -5.127 1.00 5.41 N ATOM 751 CA MET A 49 -12.957 -0.466 -4.389 1.00 53.54 C ATOM 752 C MET A 49 -12.853 1.031 -3.990 1.00 44.11 C ATOM 753 O MET A 49 -13.799 1.593 -3.433 1.00 0.21 O ATOM 754 CB MET A 49 -13.117 -1.371 -3.131 1.00 44.53 C ATOM 755 CG MET A 49 -13.247 -2.869 -3.453 1.00 35.23 C ATOM 756 SD MET A 49 -13.223 -3.915 -1.978 1.00 4.22 S ATOM 757 CE MET A 49 -13.344 -5.554 -2.704 1.00 53.52 C ATOM 0 H MET A 49 -11.059 -1.344 -4.535 1.00 5.41 H new ATOM 0 HA MET A 49 -13.837 -0.581 -5.022 1.00 53.54 H new ATOM 0 HB2 MET A 49 -12.257 -1.223 -2.478 1.00 44.53 H new ATOM 0 HB3 MET A 49 -13.998 -1.051 -2.575 1.00 44.53 H new ATOM 0 HG2 MET A 49 -14.176 -3.039 -3.997 1.00 35.23 H new ATOM 0 HG3 MET A 49 -12.433 -3.165 -4.114 1.00 35.23 H new ATOM 0 HE1 MET A 49 -13.341 -6.304 -1.913 1.00 53.52 H new ATOM 0 HE2 MET A 49 -14.270 -5.632 -3.274 1.00 53.52 H new ATOM 0 HE3 MET A 49 -12.495 -5.722 -3.367 1.00 53.52 H new ATOM 767 N LYS A 50 -11.668 1.632 -4.277 1.00 62.00 N ATOM 768 CA LYS A 50 -11.311 3.044 -3.993 1.00 20.34 C ATOM 769 C LYS A 50 -11.211 3.327 -2.484 1.00 61.44 C ATOM 770 O LYS A 50 -11.225 4.488 -2.055 1.00 2.14 O ATOM 771 CB LYS A 50 -12.246 4.048 -4.742 1.00 42.10 C ATOM 772 CG LYS A 50 -12.194 3.927 -6.284 1.00 40.41 C ATOM 773 CD LYS A 50 -10.763 4.120 -6.853 1.00 34.33 C ATOM 774 CE LYS A 50 -10.695 3.964 -8.381 1.00 62.53 C ATOM 775 NZ LYS A 50 -9.299 4.116 -8.901 1.00 33.03 N ATOM 0 H LYS A 50 -10.907 1.125 -4.730 1.00 62.00 H new ATOM 0 HA LYS A 50 -10.311 3.206 -4.394 1.00 20.34 H new ATOM 0 HB2 LYS A 50 -13.272 3.890 -4.410 1.00 42.10 H new ATOM 0 HB3 LYS A 50 -11.972 5.064 -4.458 1.00 42.10 H new ATOM 0 HG2 LYS A 50 -12.569 2.947 -6.580 1.00 40.41 H new ATOM 0 HG3 LYS A 50 -12.859 4.670 -6.725 1.00 40.41 H new ATOM 0 HD2 LYS A 50 -10.400 5.110 -6.578 1.00 34.33 H new ATOM 0 HD3 LYS A 50 -10.093 3.395 -6.390 1.00 34.33 H new ATOM 0 HE2 LYS A 50 -11.082 2.985 -8.663 1.00 62.53 H new ATOM 0 HE3 LYS A 50 -11.339 4.708 -8.850 1.00 62.53 H new ATOM 0 HZ1 LYS A 50 -9.292 3.953 -9.928 1.00 33.03 H new ATOM 0 HZ2 LYS A 50 -8.957 5.077 -8.700 1.00 33.03 H new ATOM 0 HZ3 LYS A 50 -8.678 3.423 -8.436 1.00 33.03 H new ATOM 789 N LYS A 51 -11.059 2.244 -1.693 1.00 41.13 N ATOM 790 CA LYS A 51 -10.824 2.339 -0.252 1.00 11.15 C ATOM 791 C LYS A 51 -9.347 2.676 0.017 1.00 31.23 C ATOM 792 O LYS A 51 -8.433 2.077 -0.583 1.00 25.42 O ATOM 793 CB LYS A 51 -11.229 1.027 0.481 1.00 40.34 C ATOM 794 CG LYS A 51 -10.925 1.027 2.008 1.00 64.42 C ATOM 795 CD LYS A 51 -11.554 -0.171 2.760 1.00 74.45 C ATOM 796 CE LYS A 51 -13.090 -0.093 2.799 1.00 51.11 C ATOM 797 NZ LYS A 51 -13.694 -1.270 3.483 1.00 2.32 N ATOM 0 H LYS A 51 -11.097 1.286 -2.042 1.00 41.13 H new ATOM 0 HA LYS A 51 -11.450 3.139 0.142 1.00 11.15 H new ATOM 0 HB2 LYS A 51 -12.296 0.857 0.335 1.00 40.34 H new ATOM 0 HB3 LYS A 51 -10.706 0.190 0.018 1.00 40.34 H new ATOM 0 HG2 LYS A 51 -9.845 1.013 2.156 1.00 64.42 H new ATOM 0 HG3 LYS A 51 -11.294 1.955 2.445 1.00 64.42 H new ATOM 0 HD2 LYS A 51 -11.252 -1.100 2.277 1.00 74.45 H new ATOM 0 HD3 LYS A 51 -11.168 -0.201 3.779 1.00 74.45 H new ATOM 0 HE2 LYS A 51 -13.393 0.819 3.313 1.00 51.11 H new ATOM 0 HE3 LYS A 51 -13.475 -0.029 1.781 1.00 51.11 H new ATOM 0 HZ1 LYS A 51 -14.730 -1.176 3.486 1.00 2.32 H new ATOM 0 HZ2 LYS A 51 -13.427 -2.139 2.979 1.00 2.32 H new ATOM 0 HZ3 LYS A 51 -13.348 -1.318 4.462 1.00 2.32 H new ATOM 811 N VAL A 52 -9.155 3.648 0.918 1.00 75.54 N ATOM 812 CA VAL A 52 -7.844 4.110 1.381 1.00 65.41 C ATOM 813 C VAL A 52 -7.371 3.180 2.510 1.00 75.31 C ATOM 814 O VAL A 52 -8.041 3.069 3.544 1.00 34.23 O ATOM 815 CB VAL A 52 -7.936 5.601 1.908 1.00 2.42 C ATOM 816 CG1 VAL A 52 -6.579 6.104 2.450 1.00 73.12 C ATOM 817 CG2 VAL A 52 -8.469 6.545 0.805 1.00 43.32 C ATOM 0 H VAL A 52 -9.929 4.147 1.356 1.00 75.54 H new ATOM 0 HA VAL A 52 -7.134 4.087 0.554 1.00 65.41 H new ATOM 0 HB VAL A 52 -8.642 5.607 2.738 1.00 2.42 H new ATOM 0 HG11 VAL A 52 -6.685 7.130 2.801 1.00 73.12 H new ATOM 0 HG12 VAL A 52 -6.259 5.469 3.276 1.00 73.12 H new ATOM 0 HG13 VAL A 52 -5.834 6.068 1.655 1.00 73.12 H new ATOM 0 HG21 VAL A 52 -8.523 7.563 1.192 1.00 43.32 H new ATOM 0 HG22 VAL A 52 -7.797 6.518 -0.053 1.00 43.32 H new ATOM 0 HG23 VAL A 52 -9.463 6.221 0.498 1.00 43.32 H new ATOM 827 N ILE A 53 -6.246 2.488 2.291 1.00 1.33 N ATOM 828 CA ILE A 53 -5.610 1.633 3.312 1.00 2.44 C ATOM 829 C ILE A 53 -4.137 2.036 3.472 1.00 42.41 C ATOM 830 O ILE A 53 -3.504 2.499 2.521 1.00 44.03 O ATOM 831 CB ILE A 53 -5.712 0.085 2.989 1.00 41.04 C ATOM 832 CG1 ILE A 53 -5.218 -0.228 1.546 1.00 23.12 C ATOM 833 CG2 ILE A 53 -7.149 -0.443 3.209 1.00 1.45 C ATOM 834 CD1 ILE A 53 -5.097 -1.703 1.214 1.00 62.45 C ATOM 0 H ILE A 53 -5.747 2.502 1.401 1.00 1.33 H new ATOM 0 HA ILE A 53 -6.155 1.792 4.242 1.00 2.44 H new ATOM 0 HB ILE A 53 -5.055 -0.436 3.686 1.00 41.04 H new ATOM 0 HG12 ILE A 53 -5.904 0.234 0.836 1.00 23.12 H new ATOM 0 HG13 ILE A 53 -4.245 0.242 1.401 1.00 23.12 H new ATOM 0 HG21 ILE A 53 -7.185 -1.508 2.979 1.00 1.45 H new ATOM 0 HG22 ILE A 53 -7.439 -0.287 4.248 1.00 1.45 H new ATOM 0 HG23 ILE A 53 -7.838 0.093 2.556 1.00 1.45 H new ATOM 0 HD11 ILE A 53 -4.746 -1.818 0.188 1.00 62.45 H new ATOM 0 HD12 ILE A 53 -4.387 -2.172 1.895 1.00 62.45 H new ATOM 0 HD13 ILE A 53 -6.071 -2.181 1.320 1.00 62.45 H new ATOM 846 N CYS A 54 -3.628 1.883 4.694 1.00 43.53 N ATOM 847 CA CYS A 54 -2.219 2.118 5.038 1.00 15.15 C ATOM 848 C CYS A 54 -1.578 0.764 5.386 1.00 1.40 C ATOM 849 O CYS A 54 -2.166 -0.016 6.141 1.00 5.32 O ATOM 850 CB CYS A 54 -2.142 3.105 6.229 1.00 12.41 C ATOM 851 SG CYS A 54 -3.189 2.634 7.649 1.00 41.23 S ATOM 0 H CYS A 54 -4.192 1.587 5.491 1.00 43.53 H new ATOM 0 HA CYS A 54 -1.678 2.561 4.202 1.00 15.15 H new ATOM 0 HB2 CYS A 54 -1.107 3.177 6.562 1.00 12.41 H new ATOM 0 HB3 CYS A 54 -2.437 4.097 5.886 1.00 12.41 H new ATOM 856 N VAL A 55 -0.407 0.464 4.796 1.00 14.02 N ATOM 857 CA VAL A 55 0.313 -0.815 5.017 1.00 34.22 C ATOM 858 C VAL A 55 1.798 -0.543 5.344 1.00 1.11 C ATOM 859 O VAL A 55 2.296 0.575 5.140 1.00 1.25 O ATOM 860 CB VAL A 55 0.218 -1.786 3.768 1.00 72.20 C ATOM 861 CG1 VAL A 55 -1.247 -2.093 3.380 1.00 71.40 C ATOM 862 CG2 VAL A 55 1.006 -1.234 2.561 1.00 12.32 C ATOM 0 H VAL A 55 0.071 1.096 4.153 1.00 14.02 H new ATOM 0 HA VAL A 55 -0.171 -1.309 5.860 1.00 34.22 H new ATOM 0 HB VAL A 55 0.678 -2.728 4.067 1.00 72.20 H new ATOM 0 HG11 VAL A 55 -1.263 -2.762 2.519 1.00 71.40 H new ATOM 0 HG12 VAL A 55 -1.753 -2.570 4.219 1.00 71.40 H new ATOM 0 HG13 VAL A 55 -1.759 -1.164 3.127 1.00 71.40 H new ATOM 0 HG21 VAL A 55 0.919 -1.925 1.723 1.00 12.32 H new ATOM 0 HG22 VAL A 55 0.600 -0.264 2.275 1.00 12.32 H new ATOM 0 HG23 VAL A 55 2.056 -1.123 2.832 1.00 12.32 H new ATOM 872 N ASN A 56 2.485 -1.577 5.855 1.00 12.42 N ATOM 873 CA ASN A 56 3.935 -1.532 6.123 1.00 74.01 C ATOM 874 C ASN A 56 4.722 -1.618 4.787 1.00 44.41 C ATOM 875 O ASN A 56 4.374 -2.440 3.933 1.00 3.22 O ATOM 876 CB ASN A 56 4.342 -2.701 7.064 1.00 3.45 C ATOM 877 CG ASN A 56 3.563 -2.703 8.388 1.00 71.23 C ATOM 878 OD1 ASN A 56 2.509 -3.331 8.500 1.00 32.41 O ATOM 879 ND2 ASN A 56 4.062 -1.998 9.392 1.00 2.02 N ATOM 0 H ASN A 56 2.052 -2.469 6.095 1.00 12.42 H new ATOM 0 HA ASN A 56 4.176 -0.589 6.614 1.00 74.01 H new ATOM 0 HB2 ASN A 56 4.177 -3.648 6.550 1.00 3.45 H new ATOM 0 HB3 ASN A 56 5.409 -2.635 7.276 1.00 3.45 H new ATOM 0 HD21 ASN A 56 3.572 -1.966 10.286 1.00 2.02 H new ATOM 0 HD22 ASN A 56 4.937 -1.487 9.271 1.00 2.02 H new ATOM 886 N PRO A 57 5.793 -0.769 4.574 1.00 64.12 N ATOM 887 CA PRO A 57 6.627 -0.815 3.336 1.00 55.22 C ATOM 888 C PRO A 57 7.389 -2.154 3.174 1.00 24.24 C ATOM 889 O PRO A 57 7.670 -2.599 2.055 1.00 63.42 O ATOM 890 CB PRO A 57 7.614 0.381 3.506 1.00 71.13 C ATOM 891 CG PRO A 57 7.028 1.237 4.596 1.00 34.33 C ATOM 892 CD PRO A 57 6.261 0.297 5.497 1.00 21.53 C ATOM 0 HA PRO A 57 6.016 -0.743 2.436 1.00 55.22 H new ATOM 0 HB2 PRO A 57 8.611 0.032 3.775 1.00 71.13 H new ATOM 0 HB3 PRO A 57 7.713 0.943 2.577 1.00 71.13 H new ATOM 0 HG2 PRO A 57 7.812 1.755 5.149 1.00 34.33 H new ATOM 0 HG3 PRO A 57 6.372 2.002 4.181 1.00 34.33 H new ATOM 0 HD2 PRO A 57 6.894 -0.107 6.287 1.00 21.53 H new ATOM 0 HD3 PRO A 57 5.426 0.801 5.984 1.00 21.53 H new ATOM 900 N ARG A 58 7.709 -2.785 4.321 1.00 64.11 N ATOM 901 CA ARG A 58 8.475 -4.042 4.376 1.00 41.52 C ATOM 902 C ARG A 58 7.565 -5.287 4.297 1.00 42.24 C ATOM 903 O ARG A 58 8.066 -6.410 4.426 1.00 24.42 O ATOM 904 CB ARG A 58 9.325 -4.084 5.675 1.00 50.31 C ATOM 905 CG ARG A 58 10.362 -2.946 5.811 1.00 53.13 C ATOM 906 CD ARG A 58 11.177 -3.049 7.115 1.00 60.34 C ATOM 907 NE ARG A 58 10.329 -2.964 8.318 1.00 42.41 N ATOM 908 CZ ARG A 58 10.759 -3.098 9.589 1.00 44.54 C ATOM 909 NH1 ARG A 58 12.042 -3.344 9.866 1.00 53.51 N ATOM 910 NH2 ARG A 58 9.886 -2.991 10.584 1.00 25.43 N ATOM 0 H ARG A 58 7.441 -2.433 5.240 1.00 64.11 H new ATOM 0 HA ARG A 58 9.130 -4.065 3.505 1.00 41.52 H new ATOM 0 HB2 ARG A 58 8.653 -4.048 6.533 1.00 50.31 H new ATOM 0 HB3 ARG A 58 9.848 -5.039 5.719 1.00 50.31 H new ATOM 0 HG2 ARG A 58 11.040 -2.972 4.958 1.00 53.13 H new ATOM 0 HG3 ARG A 58 9.849 -1.985 5.781 1.00 53.13 H new ATOM 0 HD2 ARG A 58 11.723 -3.992 7.125 1.00 60.34 H new ATOM 0 HD3 ARG A 58 11.919 -2.251 7.140 1.00 60.34 H new ATOM 0 HE ARG A 58 9.334 -2.789 8.177 1.00 42.41 H new ATOM 0 HH11 ARG A 58 12.719 -3.434 9.108 1.00 53.51 H new ATOM 0 HH12 ARG A 58 12.345 -3.442 10.835 1.00 53.51 H new ATOM 0 HH21 ARG A 58 8.903 -2.809 10.382 1.00 25.43 H new ATOM 0 HH22 ARG A 58 10.199 -3.090 11.550 1.00 25.43 H new ATOM 924 N ALA A 59 6.238 -5.092 4.096 1.00 43.32 N ATOM 925 CA ALA A 59 5.283 -6.210 3.945 1.00 31.51 C ATOM 926 C ALA A 59 5.691 -7.090 2.739 1.00 1.22 C ATOM 927 O ALA A 59 5.778 -6.597 1.617 1.00 72.41 O ATOM 928 CB ALA A 59 3.839 -5.686 3.803 1.00 64.31 C ATOM 0 H ALA A 59 5.808 -4.169 4.035 1.00 43.32 H new ATOM 0 HA ALA A 59 5.314 -6.826 4.844 1.00 31.51 H new ATOM 0 HB1 ALA A 59 3.156 -6.528 3.693 1.00 64.31 H new ATOM 0 HB2 ALA A 59 3.571 -5.114 4.691 1.00 64.31 H new ATOM 0 HB3 ALA A 59 3.769 -5.045 2.924 1.00 64.31 H new ATOM 934 N LYS A 60 5.959 -8.379 3.012 1.00 54.21 N ATOM 935 CA LYS A 60 6.573 -9.329 2.046 1.00 13.32 C ATOM 936 C LYS A 60 5.749 -9.490 0.747 1.00 2.32 C ATOM 937 O LYS A 60 6.319 -9.595 -0.346 1.00 32.23 O ATOM 938 CB LYS A 60 6.807 -10.699 2.748 1.00 21.34 C ATOM 939 CG LYS A 60 5.538 -11.313 3.375 1.00 21.13 C ATOM 940 CD LYS A 60 5.823 -12.607 4.168 1.00 40.10 C ATOM 941 CE LYS A 60 4.567 -13.158 4.860 1.00 22.32 C ATOM 942 NZ LYS A 60 4.009 -12.211 5.873 1.00 12.42 N ATOM 0 H LYS A 60 5.756 -8.803 3.917 1.00 54.21 H new ATOM 0 HA LYS A 60 7.531 -8.913 1.732 1.00 13.32 H new ATOM 0 HB2 LYS A 60 7.216 -11.401 2.022 1.00 21.34 H new ATOM 0 HB3 LYS A 60 7.559 -10.572 3.527 1.00 21.34 H new ATOM 0 HG2 LYS A 60 5.076 -10.581 4.038 1.00 21.13 H new ATOM 0 HG3 LYS A 60 4.817 -11.528 2.586 1.00 21.13 H new ATOM 0 HD2 LYS A 60 6.224 -13.363 3.493 1.00 40.10 H new ATOM 0 HD3 LYS A 60 6.590 -12.410 4.917 1.00 40.10 H new ATOM 0 HE2 LYS A 60 3.806 -13.371 4.109 1.00 22.32 H new ATOM 0 HE3 LYS A 60 4.809 -14.103 5.346 1.00 22.32 H new ATOM 0 HZ1 LYS A 60 3.272 -12.691 6.428 1.00 12.42 H new ATOM 0 HZ2 LYS A 60 4.769 -11.894 6.508 1.00 12.42 H new ATOM 0 HZ3 LYS A 60 3.597 -11.388 5.389 1.00 12.42 H new ATOM 956 N TRP A 61 4.407 -9.468 0.875 1.00 55.31 N ATOM 957 CA TRP A 61 3.482 -9.572 -0.273 1.00 55.03 C ATOM 958 C TRP A 61 3.556 -8.313 -1.162 1.00 14.11 C ATOM 959 O TRP A 61 3.371 -8.388 -2.383 1.00 62.20 O ATOM 960 CB TRP A 61 2.030 -9.822 0.223 1.00 15.44 C ATOM 961 CG TRP A 61 1.437 -8.732 1.104 1.00 4.15 C ATOM 962 CD1 TRP A 61 1.559 -8.609 2.463 1.00 74.23 C ATOM 963 CD2 TRP A 61 0.618 -7.624 0.679 1.00 52.45 C ATOM 964 NE1 TRP A 61 0.879 -7.500 2.898 1.00 21.04 N ATOM 965 CE2 TRP A 61 0.298 -6.878 1.825 1.00 43.12 C ATOM 966 CE3 TRP A 61 0.125 -7.196 -0.562 1.00 21.43 C ATOM 967 CZ2 TRP A 61 -0.492 -5.732 1.774 1.00 32.03 C ATOM 968 CZ3 TRP A 61 -0.644 -6.047 -0.615 1.00 24.03 C ATOM 969 CH2 TRP A 61 -0.948 -5.328 0.548 1.00 54.11 C ATOM 0 H TRP A 61 3.934 -9.378 1.774 1.00 55.31 H new ATOM 0 HA TRP A 61 3.787 -10.423 -0.882 1.00 55.03 H new ATOM 0 HB2 TRP A 61 1.386 -9.951 -0.647 1.00 15.44 H new ATOM 0 HB3 TRP A 61 2.011 -10.761 0.776 1.00 15.44 H new ATOM 0 HD1 TRP A 61 2.110 -9.286 3.099 1.00 74.23 H new ATOM 0 HE1 TRP A 61 0.816 -7.188 3.867 1.00 21.04 H new ATOM 0 HE3 TRP A 61 0.342 -7.754 -1.461 1.00 21.43 H new ATOM 0 HZ2 TRP A 61 -0.736 -5.181 2.670 1.00 32.03 H new ATOM 0 HZ3 TRP A 61 -1.016 -5.699 -1.568 1.00 24.03 H new ATOM 0 HH2 TRP A 61 -1.554 -4.437 0.476 1.00 54.11 H new ATOM 980 N LEU A 62 3.837 -7.166 -0.519 1.00 23.42 N ATOM 981 CA LEU A 62 3.979 -5.863 -1.183 1.00 34.14 C ATOM 982 C LEU A 62 5.311 -5.785 -1.961 1.00 73.43 C ATOM 983 O LEU A 62 5.349 -5.230 -3.051 1.00 44.53 O ATOM 984 CB LEU A 62 3.924 -4.732 -0.126 1.00 70.44 C ATOM 985 CG LEU A 62 4.090 -3.270 -0.656 1.00 32.33 C ATOM 986 CD1 LEU A 62 2.912 -2.854 -1.559 1.00 52.42 C ATOM 987 CD2 LEU A 62 4.306 -2.276 0.500 1.00 64.54 C ATOM 0 H LEU A 62 3.973 -7.120 0.491 1.00 23.42 H new ATOM 0 HA LEU A 62 3.159 -5.744 -1.891 1.00 34.14 H new ATOM 0 HB2 LEU A 62 2.969 -4.799 0.395 1.00 70.44 H new ATOM 0 HB3 LEU A 62 4.704 -4.917 0.612 1.00 70.44 H new ATOM 0 HG LEU A 62 4.987 -3.246 -1.275 1.00 32.33 H new ATOM 0 HD11 LEU A 62 3.064 -1.832 -1.907 1.00 52.42 H new ATOM 0 HD12 LEU A 62 2.856 -3.525 -2.416 1.00 52.42 H new ATOM 0 HD13 LEU A 62 1.982 -2.910 -0.993 1.00 52.42 H new ATOM 0 HD21 LEU A 62 4.418 -1.269 0.098 1.00 64.54 H new ATOM 0 HD22 LEU A 62 3.447 -2.306 1.171 1.00 64.54 H new ATOM 0 HD23 LEU A 62 5.206 -2.549 1.051 1.00 64.54 H new ATOM 999 N GLN A 63 6.385 -6.374 -1.384 1.00 1.24 N ATOM 1000 CA GLN A 63 7.769 -6.287 -1.924 1.00 34.42 C ATOM 1001 C GLN A 63 7.874 -6.812 -3.379 1.00 12.13 C ATOM 1002 O GLN A 63 8.528 -6.193 -4.232 1.00 23.13 O ATOM 1003 CB GLN A 63 8.755 -7.051 -0.994 1.00 42.52 C ATOM 1004 CG GLN A 63 8.880 -6.463 0.434 1.00 53.13 C ATOM 1005 CD GLN A 63 9.818 -7.259 1.356 1.00 35.15 C ATOM 1006 OE1 GLN A 63 9.977 -8.472 1.213 1.00 44.21 O ATOM 1007 NE2 GLN A 63 10.427 -6.589 2.322 1.00 70.42 N ATOM 0 H GLN A 63 6.319 -6.925 -0.528 1.00 1.24 H new ATOM 0 HA GLN A 63 8.041 -5.232 -1.950 1.00 34.42 H new ATOM 0 HB2 GLN A 63 8.432 -8.089 -0.918 1.00 42.52 H new ATOM 0 HB3 GLN A 63 9.741 -7.057 -1.458 1.00 42.52 H new ATOM 0 HG2 GLN A 63 9.241 -5.437 0.363 1.00 53.13 H new ATOM 0 HG3 GLN A 63 7.890 -6.422 0.887 1.00 53.13 H new ATOM 0 HE21 GLN A 63 10.278 -5.585 2.418 1.00 70.42 H new ATOM 0 HE22 GLN A 63 11.045 -7.077 2.970 1.00 70.42 H new ATOM 1016 N ARG A 64 7.203 -7.945 -3.649 1.00 31.35 N ATOM 1017 CA ARG A 64 7.170 -8.551 -5.002 1.00 61.32 C ATOM 1018 C ARG A 64 6.313 -7.715 -5.974 1.00 64.14 C ATOM 1019 O ARG A 64 6.557 -7.706 -7.182 1.00 25.21 O ATOM 1020 CB ARG A 64 6.674 -10.023 -4.956 1.00 72.14 C ATOM 1021 CG ARG A 64 5.187 -10.234 -4.560 1.00 32.50 C ATOM 1022 CD ARG A 64 4.799 -11.724 -4.534 1.00 42.24 C ATOM 1023 NE ARG A 64 3.403 -11.943 -4.127 1.00 24.52 N ATOM 1024 CZ ARG A 64 2.858 -13.148 -3.876 1.00 20.53 C ATOM 1025 NH1 ARG A 64 3.576 -14.268 -3.983 1.00 41.14 N ATOM 1026 NH2 ARG A 64 1.593 -13.235 -3.529 1.00 2.04 N ATOM 0 H ARG A 64 6.673 -8.465 -2.949 1.00 31.35 H new ATOM 0 HA ARG A 64 8.194 -8.555 -5.376 1.00 61.32 H new ATOM 0 HB2 ARG A 64 6.834 -10.469 -5.938 1.00 72.14 H new ATOM 0 HB3 ARG A 64 7.298 -10.573 -4.251 1.00 72.14 H new ATOM 0 HG2 ARG A 64 5.009 -9.796 -3.578 1.00 32.50 H new ATOM 0 HG3 ARG A 64 4.546 -9.705 -5.266 1.00 32.50 H new ATOM 0 HD2 ARG A 64 4.955 -12.153 -5.524 1.00 42.24 H new ATOM 0 HD3 ARG A 64 5.460 -12.255 -3.849 1.00 42.24 H new ATOM 0 HE ARG A 64 2.805 -11.123 -4.028 1.00 24.52 H new ATOM 0 HH11 ARG A 64 4.557 -14.221 -4.259 1.00 41.14 H new ATOM 0 HH12 ARG A 64 3.144 -15.171 -3.788 1.00 41.14 H new ATOM 0 HH21 ARG A 64 1.026 -12.390 -3.450 1.00 2.04 H new ATOM 0 HH22 ARG A 64 1.178 -14.147 -3.338 1.00 2.04 H new ATOM 1040 N LEU A 65 5.327 -6.998 -5.418 1.00 73.02 N ATOM 1041 CA LEU A 65 4.439 -6.105 -6.184 1.00 12.11 C ATOM 1042 C LEU A 65 5.167 -4.771 -6.499 1.00 10.23 C ATOM 1043 O LEU A 65 4.877 -4.114 -7.508 1.00 23.24 O ATOM 1044 CB LEU A 65 3.123 -5.900 -5.381 1.00 33.05 C ATOM 1045 CG LEU A 65 1.987 -5.043 -6.035 1.00 63.11 C ATOM 1046 CD1 LEU A 65 1.597 -5.552 -7.440 1.00 31.31 C ATOM 1047 CD2 LEU A 65 0.752 -4.983 -5.103 1.00 71.13 C ATOM 0 H LEU A 65 5.120 -7.019 -4.419 1.00 73.02 H new ATOM 0 HA LEU A 65 4.179 -6.550 -7.145 1.00 12.11 H new ATOM 0 HB2 LEU A 65 2.712 -6.884 -5.158 1.00 33.05 H new ATOM 0 HB3 LEU A 65 3.382 -5.439 -4.428 1.00 33.05 H new ATOM 0 HG LEU A 65 2.378 -4.034 -6.167 1.00 63.11 H new ATOM 0 HD11 LEU A 65 0.806 -4.923 -7.848 1.00 31.31 H new ATOM 0 HD12 LEU A 65 2.467 -5.512 -8.096 1.00 31.31 H new ATOM 0 HD13 LEU A 65 1.243 -6.580 -7.369 1.00 31.31 H new ATOM 0 HD21 LEU A 65 -0.029 -4.384 -5.572 1.00 71.13 H new ATOM 0 HD22 LEU A 65 0.379 -5.992 -4.928 1.00 71.13 H new ATOM 0 HD23 LEU A 65 1.035 -4.531 -4.153 1.00 71.13 H new ATOM 1059 N LEU A 66 6.153 -4.413 -5.645 1.00 20.03 N ATOM 1060 CA LEU A 66 7.072 -3.279 -5.881 1.00 10.40 C ATOM 1061 C LEU A 66 8.147 -3.677 -6.918 1.00 54.31 C ATOM 1062 O LEU A 66 8.685 -2.824 -7.630 1.00 70.13 O ATOM 1063 CB LEU A 66 7.746 -2.825 -4.548 1.00 75.21 C ATOM 1064 CG LEU A 66 6.791 -2.341 -3.403 1.00 35.21 C ATOM 1065 CD1 LEU A 66 7.576 -1.974 -2.121 1.00 54.12 C ATOM 1066 CD2 LEU A 66 5.898 -1.164 -3.858 1.00 3.20 C ATOM 0 H LEU A 66 6.333 -4.905 -4.770 1.00 20.03 H new ATOM 0 HA LEU A 66 6.495 -2.441 -6.272 1.00 10.40 H new ATOM 0 HB2 LEU A 66 8.339 -3.656 -4.167 1.00 75.21 H new ATOM 0 HB3 LEU A 66 8.440 -2.016 -4.776 1.00 75.21 H new ATOM 0 HG LEU A 66 6.136 -3.179 -3.165 1.00 35.21 H new ATOM 0 HD11 LEU A 66 6.880 -1.643 -1.350 1.00 54.12 H new ATOM 0 HD12 LEU A 66 8.122 -2.848 -1.766 1.00 54.12 H new ATOM 0 HD13 LEU A 66 8.280 -1.172 -2.343 1.00 54.12 H new ATOM 0 HD21 LEU A 66 5.251 -0.859 -3.035 1.00 3.20 H new ATOM 0 HD22 LEU A 66 6.526 -0.325 -4.156 1.00 3.20 H new ATOM 0 HD23 LEU A 66 5.286 -1.477 -4.704 1.00 3.20 H new ATOM 1078 N ARG A 67 8.474 -4.986 -6.973 1.00 64.14 N ATOM 1079 CA ARG A 67 9.335 -5.548 -8.036 1.00 11.40 C ATOM 1080 C ARG A 67 8.554 -5.652 -9.370 1.00 45.31 C ATOM 1081 O ARG A 67 9.143 -5.531 -10.450 1.00 62.01 O ATOM 1082 CB ARG A 67 9.888 -6.946 -7.626 1.00 31.50 C ATOM 1083 CG ARG A 67 10.846 -7.574 -8.671 1.00 73.11 C ATOM 1084 CD ARG A 67 11.244 -9.028 -8.364 1.00 25.43 C ATOM 1085 NE ARG A 67 11.995 -9.622 -9.487 1.00 11.43 N ATOM 1086 CZ ARG A 67 12.399 -10.903 -9.570 1.00 41.43 C ATOM 1087 NH1 ARG A 67 12.138 -11.776 -8.597 1.00 11.02 N ATOM 1088 NH2 ARG A 67 13.059 -11.309 -10.644 1.00 45.44 N ATOM 0 H ARG A 67 8.154 -5.675 -6.292 1.00 64.14 H new ATOM 0 HA ARG A 67 10.180 -4.873 -8.176 1.00 11.40 H new ATOM 0 HB2 ARG A 67 10.413 -6.853 -6.675 1.00 31.50 H new ATOM 0 HB3 ARG A 67 9.050 -7.624 -7.462 1.00 31.50 H new ATOM 0 HG2 ARG A 67 10.371 -7.538 -9.651 1.00 73.11 H new ATOM 0 HG3 ARG A 67 11.749 -6.966 -8.732 1.00 73.11 H new ATOM 0 HD2 ARG A 67 11.852 -9.059 -7.460 1.00 25.43 H new ATOM 0 HD3 ARG A 67 10.350 -9.619 -8.167 1.00 25.43 H new ATOM 0 HE ARG A 67 12.228 -9.009 -10.268 1.00 11.43 H new ATOM 0 HH11 ARG A 67 11.623 -11.478 -7.769 1.00 11.02 H new ATOM 0 HH12 ARG A 67 12.454 -12.742 -8.681 1.00 11.02 H new ATOM 0 HH21 ARG A 67 13.257 -10.653 -11.399 1.00 45.44 H new ATOM 0 HH22 ARG A 67 13.369 -12.278 -10.716 1.00 45.44 H new ATOM 1102 N HIS A 68 7.224 -5.875 -9.274 1.00 32.11 N ATOM 1103 CA HIS A 68 6.333 -6.004 -10.455 1.00 52.43 C ATOM 1104 C HIS A 68 6.302 -4.704 -11.285 1.00 12.03 C ATOM 1105 O HIS A 68 6.256 -4.747 -12.522 1.00 3.14 O ATOM 1106 CB HIS A 68 4.894 -6.379 -10.016 1.00 70.44 C ATOM 1107 CG HIS A 68 3.930 -6.570 -11.157 1.00 12.30 C ATOM 1108 ND1 HIS A 68 3.102 -5.566 -11.627 1.00 13.21 N ATOM 1109 CD2 HIS A 68 3.685 -7.643 -11.948 1.00 35.22 C ATOM 1110 CE1 HIS A 68 2.390 -6.022 -12.637 1.00 52.23 C ATOM 1111 NE2 HIS A 68 2.730 -7.271 -12.859 1.00 24.12 N ATOM 0 H HIS A 68 6.738 -5.971 -8.382 1.00 32.11 H new ATOM 0 HA HIS A 68 6.736 -6.800 -11.081 1.00 52.43 H new ATOM 0 HB2 HIS A 68 4.933 -7.297 -9.430 1.00 70.44 H new ATOM 0 HB3 HIS A 68 4.512 -5.598 -9.359 1.00 70.44 H new ATOM 0 HD2 HIS A 68 4.155 -8.612 -11.874 1.00 35.22 H new ATOM 0 HE1 HIS A 68 1.650 -5.462 -13.190 1.00 52.23 H new ATOM 0 HE2 HIS A 68 2.346 -7.868 -13.591 1.00 24.12 H new ATOM 1120 N VAL A 69 6.337 -3.551 -10.584 1.00 30.12 N ATOM 1121 CA VAL A 69 6.295 -2.221 -11.236 1.00 54.42 C ATOM 1122 C VAL A 69 7.660 -1.875 -11.888 1.00 20.52 C ATOM 1123 O VAL A 69 7.757 -0.939 -12.683 1.00 44.43 O ATOM 1124 CB VAL A 69 5.827 -1.066 -10.253 1.00 60.35 C ATOM 1125 CG1 VAL A 69 4.483 -1.408 -9.562 1.00 54.13 C ATOM 1126 CG2 VAL A 69 6.902 -0.694 -9.215 1.00 24.23 C ATOM 0 H VAL A 69 6.394 -3.512 -9.566 1.00 30.12 H new ATOM 0 HA VAL A 69 5.542 -2.286 -12.021 1.00 54.42 H new ATOM 0 HB VAL A 69 5.671 -0.186 -10.877 1.00 60.35 H new ATOM 0 HG11 VAL A 69 4.198 -0.592 -8.898 1.00 54.13 H new ATOM 0 HG12 VAL A 69 3.710 -1.548 -10.318 1.00 54.13 H new ATOM 0 HG13 VAL A 69 4.594 -2.325 -8.983 1.00 54.13 H new ATOM 0 HG21 VAL A 69 6.526 0.101 -8.571 1.00 24.23 H new ATOM 0 HG22 VAL A 69 7.142 -1.569 -8.610 1.00 24.23 H new ATOM 0 HG23 VAL A 69 7.800 -0.350 -9.728 1.00 24.23 H new ATOM 1136 N GLN A 70 8.701 -2.661 -11.555 1.00 61.05 N ATOM 1137 CA GLN A 70 10.056 -2.502 -12.112 1.00 11.11 C ATOM 1138 C GLN A 70 10.194 -3.338 -13.408 1.00 4.11 C ATOM 1139 O GLN A 70 10.173 -4.574 -13.363 1.00 15.50 O ATOM 1140 CB GLN A 70 11.117 -2.941 -11.061 1.00 21.31 C ATOM 1141 CG GLN A 70 12.585 -2.755 -11.500 1.00 60.21 C ATOM 1142 CD GLN A 70 13.594 -3.237 -10.449 1.00 70.13 C ATOM 1143 OE1 GLN A 70 14.009 -4.398 -10.457 1.00 3.22 O ATOM 1144 NE2 GLN A 70 13.992 -2.355 -9.539 1.00 71.33 N ATOM 0 H GLN A 70 8.624 -3.429 -10.888 1.00 61.05 H new ATOM 0 HA GLN A 70 10.224 -1.453 -12.356 1.00 11.11 H new ATOM 0 HB2 GLN A 70 10.953 -2.376 -10.144 1.00 21.31 H new ATOM 0 HB3 GLN A 70 10.956 -3.992 -10.821 1.00 21.31 H new ATOM 0 HG2 GLN A 70 12.751 -3.298 -12.430 1.00 60.21 H new ATOM 0 HG3 GLN A 70 12.764 -1.701 -11.710 1.00 60.21 H new ATOM 0 HE21 GLN A 70 13.630 -1.402 -9.560 1.00 71.33 H new ATOM 0 HE22 GLN A 70 14.660 -2.631 -8.819 1.00 71.33 H new ATOM 1153 N SER A 71 10.305 -2.648 -14.557 1.00 12.11 N ATOM 1154 CA SER A 71 10.543 -3.283 -15.867 1.00 14.24 C ATOM 1155 C SER A 71 12.057 -3.408 -16.135 1.00 5.13 C ATOM 1156 O SER A 71 12.801 -2.430 -15.971 1.00 33.14 O ATOM 1157 CB SER A 71 9.870 -2.443 -16.986 1.00 44.41 C ATOM 1158 OG SER A 71 10.341 -1.101 -16.992 1.00 74.33 O ATOM 0 H SER A 71 10.232 -1.632 -14.604 1.00 12.11 H new ATOM 0 HA SER A 71 10.109 -4.283 -15.860 1.00 14.24 H new ATOM 0 HB2 SER A 71 10.068 -2.902 -17.955 1.00 44.41 H new ATOM 0 HB3 SER A 71 8.789 -2.449 -16.845 1.00 44.41 H new ATOM 0 HG SER A 71 11.120 -1.030 -17.583 1.00 74.33 H new ATOM 1164 N LYS A 72 12.506 -4.620 -16.524 1.00 41.24 N ATOM 1165 CA LYS A 72 13.882 -4.845 -16.994 1.00 10.04 C ATOM 1166 C LYS A 72 14.025 -4.258 -18.418 1.00 2.31 C ATOM 1167 O LYS A 72 13.674 -4.898 -19.417 1.00 11.24 O ATOM 1168 CB LYS A 72 14.265 -6.360 -16.967 1.00 51.34 C ATOM 1169 CG LYS A 72 15.707 -6.649 -17.460 1.00 31.21 C ATOM 1170 CD LYS A 72 16.094 -8.147 -17.403 1.00 41.23 C ATOM 1171 CE LYS A 72 15.277 -9.030 -18.364 1.00 54.03 C ATOM 1172 NZ LYS A 72 15.687 -10.463 -18.279 1.00 11.23 N ATOM 0 H LYS A 72 11.928 -5.460 -16.520 1.00 41.24 H new ATOM 0 HA LYS A 72 14.573 -4.340 -16.319 1.00 10.04 H new ATOM 0 HB2 LYS A 72 14.157 -6.735 -15.949 1.00 51.34 H new ATOM 0 HB3 LYS A 72 13.561 -6.915 -17.587 1.00 51.34 H new ATOM 0 HG2 LYS A 72 15.809 -6.295 -18.486 1.00 31.21 H new ATOM 0 HG3 LYS A 72 16.410 -6.078 -16.854 1.00 31.21 H new ATOM 0 HD2 LYS A 72 17.153 -8.250 -17.640 1.00 41.23 H new ATOM 0 HD3 LYS A 72 15.958 -8.511 -16.384 1.00 41.23 H new ATOM 0 HE2 LYS A 72 14.217 -8.940 -18.128 1.00 54.03 H new ATOM 0 HE3 LYS A 72 15.408 -8.674 -19.386 1.00 54.03 H new ATOM 0 HZ1 LYS A 72 15.116 -11.027 -18.940 1.00 11.23 H new ATOM 0 HZ2 LYS A 72 16.693 -10.552 -18.528 1.00 11.23 H new ATOM 0 HZ3 LYS A 72 15.539 -10.810 -17.310 1.00 11.23 H new ATOM 1186 N SER A 73 14.476 -3.000 -18.469 1.00 42.54 N ATOM 1187 CA SER A 73 14.647 -2.226 -19.714 1.00 73.31 C ATOM 1188 C SER A 73 15.869 -1.289 -19.589 1.00 4.04 C ATOM 1189 O SER A 73 16.018 -0.342 -20.376 1.00 61.15 O ATOM 1190 CB SER A 73 13.341 -1.432 -19.989 1.00 44.14 C ATOM 1191 OG SER A 73 12.937 -0.683 -18.852 1.00 4.44 O ATOM 0 H SER A 73 14.739 -2.477 -17.633 1.00 42.54 H new ATOM 0 HA SER A 73 14.834 -2.894 -20.555 1.00 73.31 H new ATOM 0 HB2 SER A 73 13.494 -0.760 -20.833 1.00 44.14 H new ATOM 0 HB3 SER A 73 12.547 -2.123 -20.272 1.00 44.14 H new ATOM 0 HG SER A 73 12.131 -0.169 -19.068 1.00 4.44 H new ATOM 1197 N LEU A 74 16.761 -1.624 -18.622 1.00 2.00 N ATOM 1198 CA LEU A 74 17.859 -0.759 -18.151 1.00 45.42 C ATOM 1199 C LEU A 74 17.263 0.586 -17.697 1.00 31.55 C ATOM 1200 O LEU A 74 17.339 1.601 -18.406 1.00 35.22 O ATOM 1201 CB LEU A 74 19.013 -0.606 -19.213 1.00 4.14 C ATOM 1202 CG LEU A 74 20.471 -0.269 -18.684 1.00 1.03 C ATOM 1203 CD1 LEU A 74 20.564 1.084 -17.943 1.00 50.25 C ATOM 1204 CD2 LEU A 74 21.042 -1.414 -17.812 1.00 1.43 C ATOM 0 H LEU A 74 16.731 -2.523 -18.142 1.00 2.00 H new ATOM 0 HA LEU A 74 18.347 -1.229 -17.297 1.00 45.42 H new ATOM 0 HB2 LEU A 74 19.070 -1.535 -19.781 1.00 4.14 H new ATOM 0 HB3 LEU A 74 18.722 0.178 -19.912 1.00 4.14 H new ATOM 0 HG LEU A 74 21.088 -0.173 -19.578 1.00 1.03 H new ATOM 0 HD11 LEU A 74 21.589 1.247 -17.610 1.00 50.25 H new ATOM 0 HD12 LEU A 74 20.269 1.889 -18.616 1.00 50.25 H new ATOM 0 HD13 LEU A 74 19.900 1.072 -17.079 1.00 50.25 H new ATOM 0 HD21 LEU A 74 22.041 -1.146 -17.469 1.00 1.43 H new ATOM 0 HD22 LEU A 74 20.393 -1.574 -16.951 1.00 1.43 H new ATOM 0 HD23 LEU A 74 21.094 -2.329 -18.402 1.00 1.43 H new ATOM 1216 N SER A 75 16.604 0.539 -16.538 1.00 14.31 N ATOM 1217 CA SER A 75 15.958 1.691 -15.924 1.00 5.21 C ATOM 1218 C SER A 75 17.022 2.658 -15.399 1.00 5.44 C ATOM 1219 O SER A 75 17.714 2.352 -14.425 1.00 71.42 O ATOM 1220 CB SER A 75 15.035 1.208 -14.786 1.00 22.44 C ATOM 1221 OG SER A 75 14.137 0.216 -15.262 1.00 1.14 O ATOM 0 H SER A 75 16.505 -0.318 -15.993 1.00 14.31 H new ATOM 0 HA SER A 75 15.353 2.219 -16.661 1.00 5.21 H new ATOM 0 HB2 SER A 75 15.634 0.803 -13.970 1.00 22.44 H new ATOM 0 HB3 SER A 75 14.474 2.051 -14.382 1.00 22.44 H new ATOM 0 HG SER A 75 13.559 -0.082 -14.528 1.00 1.14 H new ATOM 1227 N SER A 76 17.188 3.790 -16.097 1.00 71.41 N ATOM 1228 CA SER A 76 18.148 4.834 -15.717 1.00 64.25 C ATOM 1229 C SER A 76 17.567 5.710 -14.594 1.00 63.14 C ATOM 1230 O SER A 76 16.341 5.801 -14.445 1.00 30.13 O ATOM 1231 CB SER A 76 18.515 5.679 -16.953 1.00 50.32 C ATOM 1232 OG SER A 76 19.059 4.859 -17.978 1.00 3.30 O ATOM 0 H SER A 76 16.659 4.007 -16.942 1.00 71.41 H new ATOM 0 HA SER A 76 19.058 4.368 -15.338 1.00 64.25 H new ATOM 0 HB2 SER A 76 17.629 6.194 -17.324 1.00 50.32 H new ATOM 0 HB3 SER A 76 19.236 6.447 -16.674 1.00 50.32 H new ATOM 0 HG SER A 76 19.284 5.412 -18.755 1.00 3.30 H new ATOM 1238 N THR A 77 18.466 6.318 -13.803 1.00 43.15 N ATOM 1239 CA THR A 77 18.098 7.221 -12.708 1.00 41.13 C ATOM 1240 C THR A 77 17.348 8.468 -13.259 1.00 72.42 C ATOM 1241 O THR A 77 17.775 9.012 -14.285 1.00 62.42 O ATOM 1242 CB THR A 77 19.374 7.653 -11.907 1.00 20.05 C ATOM 1243 OG1 THR A 77 20.380 8.151 -12.812 1.00 30.15 O ATOM 1244 CG2 THR A 77 19.962 6.486 -11.081 1.00 61.42 C ATOM 0 H THR A 77 19.473 6.194 -13.908 1.00 43.15 H new ATOM 0 HA THR A 77 17.428 6.691 -12.031 1.00 41.13 H new ATOM 0 HB THR A 77 19.072 8.438 -11.214 1.00 20.05 H new ATOM 0 HG1 THR A 77 21.173 8.420 -12.303 1.00 30.15 H new ATOM 0 HG21 THR A 77 20.845 6.830 -10.542 1.00 61.42 H new ATOM 0 HG22 THR A 77 19.217 6.133 -10.368 1.00 61.42 H new ATOM 0 HG23 THR A 77 20.240 5.671 -11.749 1.00 61.42 H new ATOM 1252 N PRO A 78 16.222 8.924 -12.593 1.00 12.10 N ATOM 1253 CA PRO A 78 15.368 10.051 -13.083 1.00 22.03 C ATOM 1254 C PRO A 78 16.165 11.276 -13.586 1.00 1.21 C ATOM 1255 O PRO A 78 17.014 11.822 -12.864 1.00 33.03 O ATOM 1256 CB PRO A 78 14.536 10.421 -11.833 1.00 35.43 C ATOM 1257 CG PRO A 78 14.385 9.130 -11.085 1.00 60.54 C ATOM 1258 CD PRO A 78 15.682 8.371 -11.311 1.00 52.21 C ATOM 0 HA PRO A 78 14.780 9.752 -13.951 1.00 22.03 H new ATOM 0 HB2 PRO A 78 15.042 11.173 -11.228 1.00 35.43 H new ATOM 0 HB3 PRO A 78 13.566 10.835 -12.110 1.00 35.43 H new ATOM 0 HG2 PRO A 78 14.216 9.310 -10.023 1.00 60.54 H new ATOM 0 HG3 PRO A 78 13.530 8.562 -11.452 1.00 60.54 H new ATOM 0 HD2 PRO A 78 16.380 8.524 -10.488 1.00 52.21 H new ATOM 0 HD3 PRO A 78 15.506 7.298 -11.385 1.00 52.21 H new ATOM 1266 N GLN A 79 15.859 11.710 -14.821 1.00 33.54 N ATOM 1267 CA GLN A 79 16.589 12.791 -15.521 1.00 1.23 C ATOM 1268 C GLN A 79 16.095 14.192 -15.081 1.00 3.43 C ATOM 1269 O GLN A 79 16.414 15.204 -15.709 1.00 3.24 O ATOM 1270 CB GLN A 79 16.490 12.614 -17.070 1.00 63.13 C ATOM 1271 CG GLN A 79 17.092 11.290 -17.622 1.00 30.31 C ATOM 1272 CD GLN A 79 16.252 10.042 -17.317 1.00 55.32 C ATOM 1273 OE1 GLN A 79 15.021 10.104 -17.247 1.00 72.41 O ATOM 1274 NE2 GLN A 79 16.896 8.904 -17.123 1.00 33.24 N ATOM 0 H GLN A 79 15.092 11.320 -15.369 1.00 33.54 H new ATOM 0 HA GLN A 79 17.639 12.718 -15.239 1.00 1.23 H new ATOM 0 HB2 GLN A 79 15.441 12.667 -17.360 1.00 63.13 H new ATOM 0 HB3 GLN A 79 16.995 13.452 -17.549 1.00 63.13 H new ATOM 0 HG2 GLN A 79 17.210 11.380 -18.702 1.00 30.31 H new ATOM 0 HG3 GLN A 79 18.089 11.155 -17.203 1.00 30.31 H new ATOM 0 HE21 GLN A 79 17.914 8.877 -17.186 1.00 33.24 H new ATOM 0 HE22 GLN A 79 16.375 8.053 -16.910 1.00 33.24 H new ATOM 1283 N ALA A 80 15.325 14.224 -13.980 1.00 22.42 N ATOM 1284 CA ALA A 80 14.907 15.454 -13.302 1.00 33.51 C ATOM 1285 C ALA A 80 15.012 15.227 -11.776 1.00 74.41 C ATOM 1286 O ALA A 80 14.021 14.860 -11.137 1.00 64.02 O ATOM 1287 CB ALA A 80 13.472 15.835 -13.720 1.00 43.14 C ATOM 0 H ALA A 80 14.972 13.379 -13.532 1.00 22.42 H new ATOM 0 HA ALA A 80 15.555 16.283 -13.586 1.00 33.51 H new ATOM 0 HB1 ALA A 80 13.175 16.751 -13.208 1.00 43.14 H new ATOM 0 HB2 ALA A 80 13.437 15.994 -14.798 1.00 43.14 H new ATOM 0 HB3 ALA A 80 12.788 15.030 -13.449 1.00 43.14 H new ATOM 1293 N PRO A 81 16.237 15.389 -11.164 1.00 54.40 N ATOM 1294 CA PRO A 81 16.421 15.221 -9.701 1.00 44.23 C ATOM 1295 C PRO A 81 15.788 16.402 -8.930 1.00 2.20 C ATOM 1296 O PRO A 81 15.550 17.471 -9.519 1.00 24.32 O ATOM 1297 CB PRO A 81 17.963 15.177 -9.537 1.00 4.04 C ATOM 1298 CG PRO A 81 18.487 15.992 -10.682 1.00 55.53 C ATOM 1299 CD PRO A 81 17.520 15.762 -11.833 1.00 54.32 C ATOM 0 HA PRO A 81 15.938 14.330 -9.301 1.00 44.23 H new ATOM 0 HB2 PRO A 81 18.272 15.594 -8.579 1.00 4.04 H new ATOM 0 HB3 PRO A 81 18.337 14.154 -9.574 1.00 4.04 H new ATOM 0 HG2 PRO A 81 18.537 17.049 -10.419 1.00 55.53 H new ATOM 0 HG3 PRO A 81 19.497 15.683 -10.952 1.00 55.53 H new ATOM 0 HD2 PRO A 81 17.406 16.658 -12.442 1.00 54.32 H new ATOM 0 HD3 PRO A 81 17.869 14.969 -12.495 1.00 54.32 H new ATOM 1307 N VAL A 82 15.518 16.203 -7.629 1.00 63.41 N ATOM 1308 CA VAL A 82 14.904 17.246 -6.780 1.00 14.20 C ATOM 1309 C VAL A 82 15.902 18.416 -6.650 1.00 21.24 C ATOM 1310 O VAL A 82 16.965 18.262 -6.039 1.00 2.14 O ATOM 1311 CB VAL A 82 14.479 16.702 -5.351 1.00 35.41 C ATOM 1312 CG1 VAL A 82 13.969 17.850 -4.441 1.00 50.51 C ATOM 1313 CG2 VAL A 82 13.403 15.586 -5.466 1.00 2.21 C ATOM 0 H VAL A 82 15.714 15.330 -7.139 1.00 63.41 H new ATOM 0 HA VAL A 82 13.983 17.583 -7.256 1.00 14.20 H new ATOM 0 HB VAL A 82 15.369 16.271 -4.893 1.00 35.41 H new ATOM 0 HG11 VAL A 82 13.686 17.445 -3.469 1.00 50.51 H new ATOM 0 HG12 VAL A 82 14.760 18.589 -4.310 1.00 50.51 H new ATOM 0 HG13 VAL A 82 13.103 18.324 -4.903 1.00 50.51 H new ATOM 0 HG21 VAL A 82 13.134 15.236 -4.469 1.00 2.21 H new ATOM 0 HG22 VAL A 82 12.518 15.984 -5.962 1.00 2.21 H new ATOM 0 HG23 VAL A 82 13.802 14.755 -6.048 1.00 2.21 H new ATOM 1323 N SER A 83 15.566 19.553 -7.304 1.00 52.11 N ATOM 1324 CA SER A 83 16.421 20.746 -7.366 1.00 21.50 C ATOM 1325 C SER A 83 16.401 21.516 -6.026 1.00 23.33 C ATOM 1326 O SER A 83 15.744 22.559 -5.889 1.00 32.24 O ATOM 1327 CB SER A 83 15.972 21.659 -8.539 1.00 51.34 C ATOM 1328 OG SER A 83 15.898 20.944 -9.765 1.00 61.44 O ATOM 0 H SER A 83 14.684 19.661 -7.806 1.00 52.11 H new ATOM 0 HA SER A 83 17.448 20.428 -7.545 1.00 21.50 H new ATOM 0 HB2 SER A 83 14.998 22.091 -8.311 1.00 51.34 H new ATOM 0 HB3 SER A 83 16.672 22.488 -8.643 1.00 51.34 H new ATOM 0 HG SER A 83 15.611 21.550 -10.480 1.00 61.44 H new ATOM 1334 N LYS A 84 17.070 20.940 -5.027 1.00 25.03 N ATOM 1335 CA LYS A 84 17.357 21.592 -3.749 1.00 1.12 C ATOM 1336 C LYS A 84 18.856 21.904 -3.730 1.00 52.12 C ATOM 1337 O LYS A 84 19.679 20.996 -3.599 1.00 44.44 O ATOM 1338 CB LYS A 84 16.937 20.690 -2.544 1.00 51.04 C ATOM 1339 CG LYS A 84 15.423 20.730 -2.209 1.00 4.14 C ATOM 1340 CD LYS A 84 14.957 22.136 -1.753 1.00 2.40 C ATOM 1341 CE LYS A 84 13.478 22.176 -1.323 1.00 1.23 C ATOM 1342 NZ LYS A 84 12.539 21.925 -2.452 1.00 10.21 N ATOM 0 H LYS A 84 17.435 19.989 -5.084 1.00 25.03 H new ATOM 0 HA LYS A 84 16.780 22.511 -3.648 1.00 1.12 H new ATOM 0 HB2 LYS A 84 17.221 19.660 -2.761 1.00 51.04 H new ATOM 0 HB3 LYS A 84 17.500 20.997 -1.663 1.00 51.04 H new ATOM 0 HG2 LYS A 84 14.851 20.427 -3.086 1.00 4.14 H new ATOM 0 HG3 LYS A 84 15.208 20.006 -1.423 1.00 4.14 H new ATOM 0 HD2 LYS A 84 15.579 22.466 -0.921 1.00 2.40 H new ATOM 0 HD3 LYS A 84 15.111 22.844 -2.567 1.00 2.40 H new ATOM 0 HE2 LYS A 84 13.311 21.431 -0.545 1.00 1.23 H new ATOM 0 HE3 LYS A 84 13.259 23.149 -0.884 1.00 1.23 H new ATOM 0 HZ1 LYS A 84 11.560 21.964 -2.104 1.00 10.21 H new ATOM 0 HZ2 LYS A 84 12.675 22.650 -3.185 1.00 10.21 H new ATOM 0 HZ3 LYS A 84 12.726 20.985 -2.856 1.00 10.21 H new ATOM 1356 N ARG A 85 19.190 23.185 -3.935 1.00 13.43 N ATOM 1357 CA ARG A 85 20.578 23.663 -3.971 1.00 53.33 C ATOM 1358 C ARG A 85 20.820 24.612 -2.797 1.00 14.02 C ATOM 1359 O ARG A 85 19.899 25.304 -2.338 1.00 31.12 O ATOM 1360 CB ARG A 85 20.877 24.377 -5.323 1.00 34.42 C ATOM 1361 CG ARG A 85 20.643 23.494 -6.575 1.00 4.20 C ATOM 1362 CD ARG A 85 21.110 24.171 -7.874 1.00 72.21 C ATOM 1363 NE ARG A 85 20.818 23.365 -9.072 1.00 15.14 N ATOM 1364 CZ ARG A 85 21.692 23.059 -10.048 1.00 24.12 C ATOM 1365 NH1 ARG A 85 22.959 23.477 -10.003 1.00 24.22 N ATOM 1366 NH2 ARG A 85 21.279 22.372 -11.099 1.00 65.31 N ATOM 0 H ARG A 85 18.501 23.923 -4.081 1.00 13.43 H new ATOM 0 HA ARG A 85 21.251 22.810 -3.886 1.00 53.33 H new ATOM 0 HB2 ARG A 85 20.251 25.266 -5.397 1.00 34.42 H new ATOM 0 HB3 ARG A 85 21.913 24.716 -5.320 1.00 34.42 H new ATOM 0 HG2 ARG A 85 21.172 22.549 -6.452 1.00 4.20 H new ATOM 0 HG3 ARG A 85 19.582 23.257 -6.655 1.00 4.20 H new ATOM 0 HD2 ARG A 85 20.624 25.142 -7.967 1.00 72.21 H new ATOM 0 HD3 ARG A 85 22.183 24.355 -7.818 1.00 72.21 H new ATOM 0 HE ARG A 85 19.868 23.007 -9.170 1.00 15.14 H new ATOM 0 HH11 ARG A 85 23.282 24.041 -9.217 1.00 24.22 H new ATOM 0 HH12 ARG A 85 23.604 23.233 -10.755 1.00 24.22 H new ATOM 0 HH21 ARG A 85 20.304 22.078 -11.165 1.00 65.31 H new ATOM 0 HH22 ARG A 85 21.935 22.136 -11.844 1.00 65.31 H new ATOM 1380 N ARG A 86 22.071 24.639 -2.328 1.00 42.44 N ATOM 1381 CA ARG A 86 22.500 25.473 -1.199 1.00 44.45 C ATOM 1382 C ARG A 86 23.753 26.261 -1.640 1.00 63.32 C ATOM 1383 O ARG A 86 24.741 25.675 -2.093 1.00 75.01 O ATOM 1384 CB ARG A 86 22.759 24.606 0.086 1.00 61.31 C ATOM 1385 CG ARG A 86 23.882 23.530 -0.003 1.00 60.43 C ATOM 1386 CD ARG A 86 23.518 22.288 -0.849 1.00 43.32 C ATOM 1387 NE ARG A 86 24.683 21.410 -1.073 1.00 70.41 N ATOM 1388 CZ ARG A 86 24.630 20.134 -1.512 1.00 34.32 C ATOM 1389 NH1 ARG A 86 23.466 19.545 -1.777 1.00 73.51 N ATOM 1390 NH2 ARG A 86 25.756 19.455 -1.710 1.00 15.00 N ATOM 0 H ARG A 86 22.823 24.076 -2.725 1.00 42.44 H new ATOM 0 HA ARG A 86 21.712 26.175 -0.926 1.00 44.45 H new ATOM 0 HB2 ARG A 86 23.000 25.281 0.907 1.00 61.31 H new ATOM 0 HB3 ARG A 86 21.828 24.104 0.349 1.00 61.31 H new ATOM 0 HG2 ARG A 86 24.776 23.991 -0.424 1.00 60.43 H new ATOM 0 HG3 ARG A 86 24.136 23.204 1.006 1.00 60.43 H new ATOM 0 HD2 ARG A 86 22.731 21.725 -0.347 1.00 43.32 H new ATOM 0 HD3 ARG A 86 23.116 22.609 -1.810 1.00 43.32 H new ATOM 0 HE ARG A 86 25.606 21.800 -0.880 1.00 70.41 H new ATOM 0 HH11 ARG A 86 22.594 20.058 -1.649 1.00 73.51 H new ATOM 0 HH12 ARG A 86 23.446 18.580 -2.108 1.00 73.51 H new ATOM 0 HH21 ARG A 86 26.657 19.898 -1.530 1.00 15.00 H new ATOM 0 HH22 ARG A 86 25.719 18.491 -2.042 1.00 15.00 H new ATOM 1404 N ALA A 87 23.678 27.599 -1.555 1.00 3.30 N ATOM 1405 CA ALA A 87 24.757 28.507 -1.994 1.00 33.22 C ATOM 1406 C ALA A 87 25.308 29.264 -0.784 1.00 34.01 C ATOM 1407 O ALA A 87 24.554 29.576 0.144 1.00 42.32 O ATOM 1408 CB ALA A 87 24.219 29.478 -3.058 1.00 65.23 C ATOM 0 H ALA A 87 22.865 28.086 -1.179 1.00 3.30 H new ATOM 0 HA ALA A 87 25.568 27.931 -2.440 1.00 33.22 H new ATOM 0 HB1 ALA A 87 25.019 30.146 -3.379 1.00 65.23 H new ATOM 0 HB2 ALA A 87 23.853 28.912 -3.915 1.00 65.23 H new ATOM 0 HB3 ALA A 87 23.403 30.065 -2.636 1.00 65.23 H new ATOM 1414 N ALA A 88 26.626 29.529 -0.797 1.00 30.45 N ATOM 1415 CA ALA A 88 27.322 30.237 0.290 1.00 4.03 C ATOM 1416 C ALA A 88 26.813 31.702 0.415 1.00 1.42 C ATOM 1417 O ALA A 88 27.233 32.560 -0.390 1.00 14.12 O ATOM 1418 CB ALA A 88 28.848 30.179 0.068 1.00 72.41 C ATOM 1419 OXT ALA A 88 25.986 31.982 1.313 1.00 36.10 O ATOM 0 H ALA A 88 27.240 29.257 -1.565 1.00 30.45 H new ATOM 0 HA ALA A 88 27.100 29.739 1.234 1.00 4.03 H new ATOM 0 HB1 ALA A 88 29.354 30.706 0.877 1.00 72.41 H new ATOM 0 HB2 ALA A 88 29.174 29.139 0.052 1.00 72.41 H new ATOM 0 HB3 ALA A 88 29.096 30.651 -0.883 1.00 72.41 H new TER 1425 ALA A 88