USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=23 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 47 THR OG1 : rot -75:sc= 0.657 USER MOD Set 1.2: A 49 MET CE :methyl -160:sc= -0.168 (180deg=-0.773) USER MOD Single : A 1 ILE N :NH3+ 133:sc= 0.0161 (180deg=-0.0598) USER MOD Single : A 5 HIS : no HD1:sc= 0.149 K(o=0.15,f=-0.79) 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= 0.05 K(o=0.05,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0305) USER MOD Single : A 14 SER OG : rot 153:sc= 0.441 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= -0.0359 X(o=-0.036,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.76 K(o=-1.8,f=0) USER MOD Single : A 32 THR OG1 : rot -30:sc= 0.148 USER MOD Single : A 36 ASN : amide:sc= -0.029 X(o=-0.029,f=-0.27) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.041) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00718) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0174) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0864) USER MOD Single : A 56 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 135:sc= -0.533 (180deg=-2.58!) USER MOD Single : A 63 GLN : amide:sc= -0.235 K(o=-0.23,f=-0.86) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.0536 X(o=-0.054,f=-0.23) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 76 SER OG : rot 47:sc= 0.298 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 148:sc= -1.08 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -20.541 29.833 20.377 1.00 13.00 N ATOM 2 CA ILE A 1 -19.569 30.263 19.337 1.00 1.13 C ATOM 3 C ILE A 1 -19.029 29.035 18.582 1.00 10.01 C ATOM 4 O ILE A 1 -18.847 27.967 19.178 1.00 74.24 O ATOM 5 CB ILE A 1 -18.378 31.091 19.964 1.00 50.04 C ATOM 6 CG1 ILE A 1 -17.415 31.680 18.872 1.00 25.00 C ATOM 7 CG2 ILE A 1 -17.592 30.249 20.999 1.00 0.55 C ATOM 8 CD1 ILE A 1 -18.076 32.638 17.885 1.00 22.35 C ATOM 0 H1 ILE A 1 -20.325 30.313 21.274 1.00 13.00 H new ATOM 0 H2 ILE A 1 -21.505 30.081 20.075 1.00 13.00 H new ATOM 0 H3 ILE A 1 -20.474 28.804 20.510 1.00 13.00 H new ATOM 0 HA ILE A 1 -20.091 30.915 18.636 1.00 1.13 H new ATOM 0 HB ILE A 1 -18.827 31.938 20.482 1.00 50.04 H new ATOM 0 HG12 ILE A 1 -16.598 32.201 19.371 1.00 25.00 H new ATOM 0 HG13 ILE A 1 -16.973 30.854 18.314 1.00 25.00 H new ATOM 0 HG21 ILE A 1 -16.779 30.846 21.412 1.00 0.55 H new ATOM 0 HG22 ILE A 1 -18.262 29.942 21.802 1.00 0.55 H new ATOM 0 HG23 ILE A 1 -17.181 29.365 20.512 1.00 0.55 H new ATOM 0 HD11 ILE A 1 -17.334 32.993 17.170 1.00 22.35 H new ATOM 0 HD12 ILE A 1 -18.874 32.119 17.353 1.00 22.35 H new ATOM 0 HD13 ILE A 1 -18.493 33.487 18.426 1.00 22.35 H new ATOM 22 N LEU A 2 -18.790 29.188 17.266 1.00 43.23 N ATOM 23 CA LEU A 2 -18.179 28.143 16.438 1.00 70.22 C ATOM 24 C LEU A 2 -16.646 28.241 16.533 1.00 42.12 C ATOM 25 O LEU A 2 -16.069 29.323 16.352 1.00 34.00 O ATOM 26 CB LEU A 2 -18.623 28.286 14.953 1.00 23.45 C ATOM 27 CG LEU A 2 -18.102 27.180 13.976 1.00 31.12 C ATOM 28 CD1 LEU A 2 -18.670 25.797 14.338 1.00 0.41 C ATOM 29 CD2 LEU A 2 -18.395 27.539 12.506 1.00 14.02 C ATOM 0 H LEU A 2 -19.016 30.040 16.752 1.00 43.23 H new ATOM 0 HA LEU A 2 -18.508 27.171 16.805 1.00 70.22 H new ATOM 0 HB2 LEU A 2 -19.712 28.291 14.918 1.00 23.45 H new ATOM 0 HB3 LEU A 2 -18.288 29.256 14.585 1.00 23.45 H new ATOM 0 HG LEU A 2 -17.019 27.131 14.090 1.00 31.12 H new ATOM 0 HD11 LEU A 2 -18.288 25.053 13.640 1.00 0.41 H new ATOM 0 HD12 LEU A 2 -18.367 25.533 15.351 1.00 0.41 H new ATOM 0 HD13 LEU A 2 -19.758 25.824 14.280 1.00 0.41 H new ATOM 0 HD21 LEU A 2 -18.019 26.748 11.857 1.00 14.02 H new ATOM 0 HD22 LEU A 2 -19.471 27.644 12.365 1.00 14.02 H new ATOM 0 HD23 LEU A 2 -17.903 28.479 12.256 1.00 14.02 H new ATOM 41 N GLU A 3 -16.005 27.110 16.841 1.00 32.13 N ATOM 42 CA GLU A 3 -14.537 26.964 16.797 1.00 64.04 C ATOM 43 C GLU A 3 -14.155 26.059 15.618 1.00 4.23 C ATOM 44 O GLU A 3 -14.973 25.252 15.162 1.00 24.35 O ATOM 45 CB GLU A 3 -14.001 26.384 18.135 1.00 23.40 C ATOM 46 CG GLU A 3 -14.599 25.027 18.553 1.00 0.34 C ATOM 47 CD GLU A 3 -13.892 24.413 19.768 1.00 65.00 C ATOM 48 OE1 GLU A 3 -14.081 24.915 20.894 1.00 13.54 O ATOM 49 OE2 GLU A 3 -13.145 23.431 19.604 1.00 54.43 O ATOM 0 H GLU A 3 -16.489 26.260 17.131 1.00 32.13 H new ATOM 0 HA GLU A 3 -14.082 27.945 16.658 1.00 64.04 H new ATOM 0 HB2 GLU A 3 -12.919 26.277 18.058 1.00 23.40 H new ATOM 0 HB3 GLU A 3 -14.194 27.107 18.928 1.00 23.40 H new ATOM 0 HG2 GLU A 3 -15.657 25.157 18.781 1.00 0.34 H new ATOM 0 HG3 GLU A 3 -14.537 24.334 17.714 1.00 0.34 H new ATOM 56 N ALA A 4 -12.924 26.218 15.113 1.00 45.12 N ATOM 57 CA ALA A 4 -12.394 25.402 14.004 1.00 55.54 C ATOM 58 C ALA A 4 -11.237 24.529 14.499 1.00 11.05 C ATOM 59 O ALA A 4 -10.243 25.054 15.024 1.00 31.11 O ATOM 60 CB ALA A 4 -11.932 26.310 12.851 1.00 42.15 C ATOM 0 H ALA A 4 -12.265 26.915 15.460 1.00 45.12 H new ATOM 0 HA ALA A 4 -13.186 24.750 13.634 1.00 55.54 H new ATOM 0 HB1 ALA A 4 -11.543 25.697 12.038 1.00 42.15 H new ATOM 0 HB2 ALA A 4 -12.776 26.898 12.490 1.00 42.15 H new ATOM 0 HB3 ALA A 4 -11.149 26.980 13.207 1.00 42.15 H new ATOM 66 N HIS A 5 -11.376 23.200 14.339 1.00 1.35 N ATOM 67 CA HIS A 5 -10.318 22.234 14.681 1.00 1.11 C ATOM 68 C HIS A 5 -9.259 22.193 13.563 1.00 72.21 C ATOM 69 O HIS A 5 -9.340 21.383 12.632 1.00 42.43 O ATOM 70 CB HIS A 5 -10.913 20.823 14.949 1.00 22.42 C ATOM 71 CG HIS A 5 -11.726 20.717 16.210 1.00 2.01 C ATOM 72 ND1 HIS A 5 -12.543 19.640 16.490 1.00 73.24 N ATOM 73 CD2 HIS A 5 -11.820 21.535 17.283 1.00 63.33 C ATOM 74 CE1 HIS A 5 -13.111 19.813 17.663 1.00 60.52 C ATOM 75 NE2 HIS A 5 -12.685 20.948 18.163 1.00 53.31 N ATOM 0 H HIS A 5 -12.223 22.767 13.970 1.00 1.35 H new ATOM 0 HA HIS A 5 -9.833 22.560 15.601 1.00 1.11 H new ATOM 0 HB2 HIS A 5 -11.540 20.540 14.103 1.00 22.42 H new ATOM 0 HB3 HIS A 5 -10.097 20.102 14.996 1.00 22.42 H new ATOM 0 HD2 HIS A 5 -11.307 22.476 17.419 1.00 63.33 H new ATOM 0 HE1 HIS A 5 -13.809 19.136 18.134 1.00 60.52 H new ATOM 0 HE2 HIS A 5 -12.957 21.333 19.068 1.00 53.31 H new ATOM 84 N TYR A 6 -8.312 23.137 13.650 1.00 62.14 N ATOM 85 CA TYR A 6 -7.148 23.220 12.752 1.00 32.11 C ATOM 86 C TYR A 6 -6.256 21.959 12.872 1.00 21.31 C ATOM 87 O TYR A 6 -6.114 21.380 13.956 1.00 43.12 O ATOM 88 CB TYR A 6 -6.344 24.523 13.047 1.00 71.30 C ATOM 89 CG TYR A 6 -6.070 24.790 14.543 1.00 32.54 C ATOM 90 CD1 TYR A 6 -6.872 25.673 15.276 1.00 63.31 C ATOM 91 CD2 TYR A 6 -5.024 24.152 15.220 1.00 32.24 C ATOM 92 CE1 TYR A 6 -6.643 25.899 16.620 1.00 13.31 C ATOM 93 CE2 TYR A 6 -4.796 24.382 16.566 1.00 14.42 C ATOM 94 CZ TYR A 6 -5.606 25.254 17.259 1.00 64.40 C ATOM 95 OH TYR A 6 -5.378 25.482 18.606 1.00 72.22 O ATOM 0 H TYR A 6 -8.331 23.875 14.354 1.00 62.14 H new ATOM 0 HA TYR A 6 -7.502 23.261 11.722 1.00 32.11 H new ATOM 0 HB2 TYR A 6 -5.391 24.472 12.521 1.00 71.30 H new ATOM 0 HB3 TYR A 6 -6.890 25.371 12.635 1.00 71.30 H new ATOM 0 HD1 TYR A 6 -7.684 26.187 14.782 1.00 63.31 H new ATOM 0 HD2 TYR A 6 -4.383 23.468 14.683 1.00 32.24 H new ATOM 0 HE1 TYR A 6 -7.276 26.580 17.169 1.00 13.31 H new ATOM 0 HE2 TYR A 6 -3.985 23.879 17.071 1.00 14.42 H new ATOM 0 HH TYR A 6 -4.611 24.949 18.903 1.00 72.22 H new ATOM 105 N THR A 7 -5.696 21.532 11.735 1.00 11.20 N ATOM 106 CA THR A 7 -4.869 20.321 11.633 1.00 21.24 C ATOM 107 C THR A 7 -3.708 20.583 10.658 1.00 52.02 C ATOM 108 O THR A 7 -3.936 20.980 9.509 1.00 70.33 O ATOM 109 CB THR A 7 -5.738 19.108 11.137 1.00 4.45 C ATOM 110 OG1 THR A 7 -6.825 18.860 12.060 1.00 31.23 O ATOM 111 CG2 THR A 7 -4.916 17.816 10.971 1.00 4.01 C ATOM 0 H THR A 7 -5.805 22.023 10.848 1.00 11.20 H new ATOM 0 HA THR A 7 -4.466 20.072 12.615 1.00 21.24 H new ATOM 0 HB THR A 7 -6.127 19.385 10.157 1.00 4.45 H new ATOM 0 HG1 THR A 7 -7.360 18.104 11.740 1.00 31.23 H new ATOM 0 HG21 THR A 7 -5.567 17.012 10.627 1.00 4.01 H new ATOM 0 HG22 THR A 7 -4.124 17.980 10.240 1.00 4.01 H new ATOM 0 HG23 THR A 7 -4.474 17.540 11.929 1.00 4.01 H new ATOM 119 N ASN A 8 -2.468 20.399 11.143 1.00 10.01 N ATOM 120 CA ASN A 8 -1.249 20.547 10.328 1.00 23.24 C ATOM 121 C ASN A 8 -1.156 19.398 9.304 1.00 31.41 C ATOM 122 O ASN A 8 -1.654 18.292 9.563 1.00 30.43 O ATOM 123 CB ASN A 8 0.004 20.588 11.253 1.00 35.31 C ATOM 124 CG ASN A 8 1.322 20.884 10.519 1.00 2.32 C ATOM 125 OD1 ASN A 8 1.345 21.569 9.491 1.00 50.12 O ATOM 126 ND2 ASN A 8 2.424 20.388 11.053 1.00 13.35 N ATOM 0 H ASN A 8 -2.282 20.143 12.113 1.00 10.01 H new ATOM 0 HA ASN A 8 -1.292 21.485 9.775 1.00 23.24 H new ATOM 0 HB2 ASN A 8 -0.150 21.347 12.020 1.00 35.31 H new ATOM 0 HB3 ASN A 8 0.094 19.630 11.766 1.00 35.31 H new ATOM 0 HD21 ASN A 8 3.328 20.567 10.616 1.00 13.35 H new ATOM 0 HD22 ASN A 8 2.371 19.826 11.903 1.00 13.35 H new ATOM 133 N LEU A 9 -0.526 19.683 8.150 1.00 15.42 N ATOM 134 CA LEU A 9 -0.482 18.762 6.997 1.00 2.22 C ATOM 135 C LEU A 9 0.428 17.552 7.280 1.00 34.42 C ATOM 136 O LEU A 9 1.639 17.606 7.064 1.00 12.30 O ATOM 137 CB LEU A 9 -0.035 19.499 5.687 1.00 65.51 C ATOM 138 CG LEU A 9 -1.124 20.346 4.937 1.00 41.13 C ATOM 139 CD1 LEU A 9 -2.350 19.484 4.571 1.00 52.15 C ATOM 140 CD2 LEU A 9 -1.538 21.605 5.730 1.00 70.23 C ATOM 0 H LEU A 9 -0.031 20.560 7.989 1.00 15.42 H new ATOM 0 HA LEU A 9 -1.496 18.393 6.842 1.00 2.22 H new ATOM 0 HB2 LEU A 9 0.795 20.160 5.937 1.00 65.51 H new ATOM 0 HB3 LEU A 9 0.350 18.752 4.993 1.00 65.51 H new ATOM 0 HG LEU A 9 -0.670 20.694 4.009 1.00 41.13 H new ATOM 0 HD11 LEU A 9 -3.086 20.099 4.053 1.00 52.15 H new ATOM 0 HD12 LEU A 9 -2.039 18.666 3.921 1.00 52.15 H new ATOM 0 HD13 LEU A 9 -2.793 19.077 5.480 1.00 52.15 H new ATOM 0 HD21 LEU A 9 -2.293 22.156 5.169 1.00 70.23 H new ATOM 0 HD22 LEU A 9 -1.948 21.308 6.695 1.00 70.23 H new ATOM 0 HD23 LEU A 9 -0.666 22.240 5.886 1.00 70.23 H new ATOM 152 N LYS A 10 -0.173 16.495 7.828 1.00 72.52 N ATOM 153 CA LYS A 10 0.457 15.177 7.954 1.00 64.12 C ATOM 154 C LYS A 10 0.175 14.358 6.676 1.00 14.31 C ATOM 155 O LYS A 10 -0.610 14.786 5.811 1.00 44.21 O ATOM 156 CB LYS A 10 -0.118 14.452 9.206 1.00 62.22 C ATOM 157 CG LYS A 10 0.202 15.141 10.552 1.00 32.42 C ATOM 158 CD LYS A 10 -0.507 14.469 11.751 1.00 24.12 C ATOM 159 CE LYS A 10 -0.131 15.110 13.096 1.00 21.12 C ATOM 160 NZ LYS A 10 1.300 14.881 13.455 1.00 73.54 N ATOM 0 H LYS A 10 -1.122 16.529 8.201 1.00 72.52 H new ATOM 0 HA LYS A 10 1.535 15.284 8.074 1.00 64.12 H new ATOM 0 HB2 LYS A 10 -1.200 14.376 9.100 1.00 62.22 H new ATOM 0 HB3 LYS A 10 0.272 13.435 9.232 1.00 62.22 H new ATOM 0 HG2 LYS A 10 1.279 15.124 10.717 1.00 32.42 H new ATOM 0 HG3 LYS A 10 -0.096 16.188 10.499 1.00 32.42 H new ATOM 0 HD2 LYS A 10 -1.586 14.532 11.612 1.00 24.12 H new ATOM 0 HD3 LYS A 10 -0.250 13.410 11.773 1.00 24.12 H new ATOM 0 HE2 LYS A 10 -0.325 16.182 13.051 1.00 21.12 H new ATOM 0 HE3 LYS A 10 -0.769 14.703 13.880 1.00 21.12 H new ATOM 0 HZ1 LYS A 10 1.488 15.273 14.400 1.00 73.54 H new ATOM 0 HZ2 LYS A 10 1.498 13.860 13.458 1.00 73.54 H new ATOM 0 HZ3 LYS A 10 1.912 15.350 12.757 1.00 73.54 H new ATOM 174 N CYS A 11 0.821 13.188 6.545 1.00 34.20 N ATOM 175 CA CYS A 11 0.459 12.211 5.509 1.00 73.41 C ATOM 176 C CYS A 11 -0.835 11.519 5.962 1.00 3.34 C ATOM 177 O CYS A 11 -0.833 10.814 6.980 1.00 12.04 O ATOM 178 CB CYS A 11 1.621 11.209 5.311 1.00 43.33 C ATOM 179 SG CYS A 11 3.165 12.006 4.749 1.00 11.30 S ATOM 0 H CYS A 11 1.595 12.897 7.143 1.00 34.20 H new ATOM 0 HA CYS A 11 0.288 12.690 4.545 1.00 73.41 H new ATOM 0 HB2 CYS A 11 1.809 10.689 6.250 1.00 43.33 H new ATOM 0 HB3 CYS A 11 1.323 10.455 4.583 1.00 43.33 H new ATOM 184 N ARG A 12 -1.945 11.758 5.226 1.00 31.34 N ATOM 185 CA ARG A 12 -3.281 11.317 5.645 1.00 53.34 C ATOM 186 C ARG A 12 -3.413 9.796 5.512 1.00 51.35 C ATOM 187 O ARG A 12 -3.244 9.234 4.419 1.00 70.21 O ATOM 188 CB ARG A 12 -4.384 12.040 4.832 1.00 43.10 C ATOM 189 CG ARG A 12 -5.824 11.599 5.191 1.00 44.23 C ATOM 190 CD ARG A 12 -6.897 12.463 4.514 1.00 21.14 C ATOM 191 NE ARG A 12 -6.868 13.852 5.002 1.00 35.45 N ATOM 192 CZ ARG A 12 -7.549 14.878 4.474 1.00 74.33 C ATOM 193 NH1 ARG A 12 -8.349 14.716 3.413 1.00 32.22 N ATOM 194 NH2 ARG A 12 -7.436 16.073 5.028 1.00 2.20 N ATOM 0 H ARG A 12 -1.933 12.257 4.336 1.00 31.34 H new ATOM 0 HA ARG A 12 -3.412 11.581 6.694 1.00 53.34 H new ATOM 0 HB2 ARG A 12 -4.294 13.114 4.992 1.00 43.10 H new ATOM 0 HB3 ARG A 12 -4.214 11.861 3.770 1.00 43.10 H new ATOM 0 HG2 ARG A 12 -5.964 10.558 4.898 1.00 44.23 H new ATOM 0 HG3 ARG A 12 -5.955 11.646 6.272 1.00 44.23 H new ATOM 0 HD2 ARG A 12 -6.744 12.454 3.435 1.00 21.14 H new ATOM 0 HD3 ARG A 12 -7.881 12.033 4.700 1.00 21.14 H new ATOM 0 HE ARG A 12 -6.279 14.050 5.811 1.00 35.45 H new ATOM 0 HH11 ARG A 12 -8.451 13.795 2.987 1.00 32.22 H new ATOM 0 HH12 ARG A 12 -8.856 15.514 3.030 1.00 32.22 H new ATOM 0 HH21 ARG A 12 -6.838 16.202 5.844 1.00 2.20 H new ATOM 0 HH22 ARG A 12 -7.947 16.866 4.639 1.00 2.20 H new ATOM 208 N CYS A 13 -3.702 9.153 6.646 1.00 63.43 N ATOM 209 CA CYS A 13 -3.926 7.710 6.739 1.00 54.35 C ATOM 210 C CYS A 13 -5.351 7.435 7.236 1.00 63.44 C ATOM 211 O CYS A 13 -5.995 8.304 7.841 1.00 4.31 O ATOM 212 CB CYS A 13 -2.888 7.091 7.698 1.00 33.52 C ATOM 213 SG CYS A 13 -3.149 5.321 8.020 1.00 12.42 S ATOM 0 H CYS A 13 -3.788 9.631 7.543 1.00 63.43 H new ATOM 0 HA CYS A 13 -3.811 7.257 5.754 1.00 54.35 H new ATOM 0 HB2 CYS A 13 -1.891 7.231 7.279 1.00 33.52 H new ATOM 0 HB3 CYS A 13 -2.915 7.631 8.645 1.00 33.52 H new ATOM 218 N SER A 14 -5.834 6.221 6.958 1.00 71.54 N ATOM 219 CA SER A 14 -7.142 5.736 7.409 1.00 45.43 C ATOM 220 C SER A 14 -6.947 4.753 8.573 1.00 23.02 C ATOM 221 O SER A 14 -7.487 4.951 9.668 1.00 4.30 O ATOM 222 CB SER A 14 -7.861 5.061 6.222 1.00 51.22 C ATOM 223 OG SER A 14 -7.050 4.045 5.642 1.00 22.32 O ATOM 0 H SER A 14 -5.319 5.536 6.404 1.00 71.54 H new ATOM 0 HA SER A 14 -7.756 6.564 7.763 1.00 45.43 H new ATOM 0 HB2 SER A 14 -8.803 4.629 6.561 1.00 51.22 H new ATOM 0 HB3 SER A 14 -8.106 5.809 5.468 1.00 51.22 H new ATOM 0 HG SER A 14 -7.622 3.370 5.222 1.00 22.32 H new ATOM 229 N GLY A 15 -6.129 3.715 8.317 1.00 71.42 N ATOM 230 CA GLY A 15 -5.842 2.665 9.290 1.00 73.22 C ATOM 231 C GLY A 15 -4.959 1.578 8.684 1.00 42.02 C ATOM 232 O GLY A 15 -4.799 1.522 7.458 1.00 13.25 O ATOM 0 H GLY A 15 -5.651 3.588 7.425 1.00 71.42 H new ATOM 0 HA2 GLY A 15 -5.347 3.097 10.160 1.00 73.22 H new ATOM 0 HA3 GLY A 15 -6.776 2.225 9.641 1.00 73.22 H new ATOM 236 N VAL A 16 -4.413 0.681 9.532 1.00 14.11 N ATOM 237 CA VAL A 16 -3.485 -0.386 9.084 1.00 42.13 C ATOM 238 C VAL A 16 -4.221 -1.734 9.002 1.00 4.51 C ATOM 239 O VAL A 16 -5.243 -1.938 9.671 1.00 40.11 O ATOM 240 CB VAL A 16 -2.220 -0.536 10.031 1.00 21.14 C ATOM 241 CG1 VAL A 16 -1.405 0.775 10.097 1.00 71.21 C ATOM 242 CG2 VAL A 16 -2.602 -1.025 11.448 1.00 4.23 C ATOM 0 H VAL A 16 -4.598 0.673 10.535 1.00 14.11 H new ATOM 0 HA VAL A 16 -3.126 -0.092 8.097 1.00 42.13 H new ATOM 0 HB VAL A 16 -1.587 -1.304 9.587 1.00 21.14 H new ATOM 0 HG11 VAL A 16 -0.546 0.637 10.754 1.00 71.21 H new ATOM 0 HG12 VAL A 16 -1.059 1.039 9.098 1.00 71.21 H new ATOM 0 HG13 VAL A 16 -2.034 1.575 10.486 1.00 71.21 H new ATOM 0 HG21 VAL A 16 -1.703 -1.112 12.058 1.00 4.23 H new ATOM 0 HG22 VAL A 16 -3.285 -0.310 11.908 1.00 4.23 H new ATOM 0 HG23 VAL A 16 -3.088 -1.998 11.378 1.00 4.23 H new ATOM 252 N ILE A 17 -3.685 -2.646 8.178 1.00 25.12 N ATOM 253 CA ILE A 17 -4.272 -3.981 7.962 1.00 15.41 C ATOM 254 C ILE A 17 -3.229 -5.073 8.239 1.00 60.10 C ATOM 255 O ILE A 17 -2.022 -4.849 8.075 1.00 65.33 O ATOM 256 CB ILE A 17 -4.913 -4.131 6.508 1.00 35.43 C ATOM 257 CG1 ILE A 17 -3.929 -3.778 5.325 1.00 13.43 C ATOM 258 CG2 ILE A 17 -6.182 -3.256 6.402 1.00 24.24 C ATOM 259 CD1 ILE A 17 -2.939 -4.862 4.934 1.00 21.13 C ATOM 0 H ILE A 17 -2.833 -2.481 7.642 1.00 25.12 H new ATOM 0 HA ILE A 17 -5.092 -4.103 8.670 1.00 15.41 H new ATOM 0 HB ILE A 17 -5.156 -5.188 6.397 1.00 35.43 H new ATOM 0 HG12 ILE A 17 -4.524 -3.524 4.448 1.00 13.43 H new ATOM 0 HG13 ILE A 17 -3.369 -2.884 5.600 1.00 13.43 H new ATOM 0 HG21 ILE A 17 -6.615 -3.362 5.407 1.00 24.24 H new ATOM 0 HG22 ILE A 17 -6.908 -3.575 7.150 1.00 24.24 H new ATOM 0 HG23 ILE A 17 -5.920 -2.212 6.574 1.00 24.24 H new ATOM 0 HD11 ILE A 17 -2.317 -4.507 4.113 1.00 21.13 H new ATOM 0 HD12 ILE A 17 -2.308 -5.104 5.789 1.00 21.13 H new ATOM 0 HD13 ILE A 17 -3.481 -5.754 4.619 1.00 21.13 H new ATOM 271 N SER A 18 -3.711 -6.240 8.692 1.00 35.24 N ATOM 272 CA SER A 18 -2.885 -7.445 8.917 1.00 3.00 C ATOM 273 C SER A 18 -3.237 -8.547 7.898 1.00 15.00 C ATOM 274 O SER A 18 -2.822 -9.701 8.053 1.00 71.44 O ATOM 275 CB SER A 18 -3.109 -7.934 10.367 1.00 24.25 C ATOM 276 OG SER A 18 -4.484 -8.195 10.619 1.00 4.44 O ATOM 0 H SER A 18 -4.696 -6.379 8.916 1.00 35.24 H new ATOM 0 HA SER A 18 -1.832 -7.201 8.776 1.00 3.00 H new ATOM 0 HB2 SER A 18 -2.527 -8.839 10.542 1.00 24.25 H new ATOM 0 HB3 SER A 18 -2.746 -7.182 11.067 1.00 24.25 H new ATOM 0 HG SER A 18 -4.594 -8.504 11.542 1.00 4.44 H new ATOM 282 N THR A 19 -3.995 -8.170 6.858 1.00 51.30 N ATOM 283 CA THR A 19 -4.452 -9.088 5.806 1.00 32.44 C ATOM 284 C THR A 19 -3.469 -9.056 4.619 1.00 11.45 C ATOM 285 O THR A 19 -2.897 -8.003 4.294 1.00 4.10 O ATOM 286 CB THR A 19 -5.891 -8.671 5.331 1.00 4.35 C ATOM 287 OG1 THR A 19 -6.781 -8.643 6.465 1.00 74.11 O ATOM 288 CG2 THR A 19 -6.477 -9.595 4.242 1.00 64.34 C ATOM 0 H THR A 19 -4.311 -7.210 6.723 1.00 51.30 H new ATOM 0 HA THR A 19 -4.489 -10.103 6.203 1.00 32.44 H new ATOM 0 HB THR A 19 -5.796 -7.682 4.882 1.00 4.35 H new ATOM 0 HG1 THR A 19 -7.678 -8.381 6.170 1.00 74.11 H new ATOM 0 HG21 THR A 19 -7.471 -9.245 3.964 1.00 64.34 H new ATOM 0 HG22 THR A 19 -5.829 -9.580 3.365 1.00 64.34 H new ATOM 0 HG23 THR A 19 -6.545 -10.613 4.626 1.00 64.34 H new ATOM 296 N VAL A 20 -3.273 -10.221 3.983 1.00 41.44 N ATOM 297 CA VAL A 20 -2.550 -10.314 2.706 1.00 64.14 C ATOM 298 C VAL A 20 -3.456 -9.726 1.612 1.00 1.12 C ATOM 299 O VAL A 20 -4.507 -10.293 1.301 1.00 23.21 O ATOM 300 CB VAL A 20 -2.166 -11.807 2.352 1.00 25.24 C ATOM 301 CG1 VAL A 20 -1.580 -11.935 0.919 1.00 10.42 C ATOM 302 CG2 VAL A 20 -1.182 -12.386 3.393 1.00 73.04 C ATOM 0 H VAL A 20 -3.608 -11.118 4.336 1.00 41.44 H new ATOM 0 HA VAL A 20 -1.615 -9.758 2.781 1.00 64.14 H new ATOM 0 HB VAL A 20 -3.087 -12.389 2.382 1.00 25.24 H new ATOM 0 HG11 VAL A 20 -1.331 -12.977 0.720 1.00 10.42 H new ATOM 0 HG12 VAL A 20 -2.317 -11.593 0.193 1.00 10.42 H new ATOM 0 HG13 VAL A 20 -0.680 -11.325 0.838 1.00 10.42 H new ATOM 0 HG21 VAL A 20 -0.934 -13.413 3.127 1.00 73.04 H new ATOM 0 HG22 VAL A 20 -0.273 -11.785 3.408 1.00 73.04 H new ATOM 0 HG23 VAL A 20 -1.644 -12.368 4.380 1.00 73.04 H new ATOM 312 N VAL A 21 -3.066 -8.570 1.071 1.00 71.10 N ATOM 313 CA VAL A 21 -3.849 -7.878 0.039 1.00 70.24 C ATOM 314 C VAL A 21 -3.316 -8.278 -1.339 1.00 40.11 C ATOM 315 O VAL A 21 -2.111 -8.173 -1.595 1.00 22.35 O ATOM 316 CB VAL A 21 -3.802 -6.320 0.238 1.00 64.05 C ATOM 317 CG1 VAL A 21 -4.673 -5.577 -0.796 1.00 62.04 C ATOM 318 CG2 VAL A 21 -4.224 -5.952 1.675 1.00 11.52 C ATOM 0 H VAL A 21 -2.206 -8.088 1.332 1.00 71.10 H new ATOM 0 HA VAL A 21 -4.895 -8.175 0.120 1.00 70.24 H new ATOM 0 HB VAL A 21 -2.773 -5.998 0.078 1.00 64.05 H new ATOM 0 HG11 VAL A 21 -4.610 -4.503 -0.620 1.00 62.04 H new ATOM 0 HG12 VAL A 21 -4.316 -5.802 -1.801 1.00 62.04 H new ATOM 0 HG13 VAL A 21 -5.709 -5.900 -0.698 1.00 62.04 H new ATOM 0 HG21 VAL A 21 -4.187 -4.870 1.799 1.00 11.52 H new ATOM 0 HG22 VAL A 21 -5.239 -6.304 1.857 1.00 11.52 H new ATOM 0 HG23 VAL A 21 -3.544 -6.422 2.386 1.00 11.52 H new ATOM 328 N GLY A 22 -4.216 -8.785 -2.190 1.00 53.54 N ATOM 329 CA GLY A 22 -3.843 -9.315 -3.492 1.00 32.44 C ATOM 330 C GLY A 22 -3.609 -8.244 -4.549 1.00 71.22 C ATOM 331 O GLY A 22 -4.278 -7.204 -4.539 1.00 40.33 O ATOM 0 H GLY A 22 -5.215 -8.836 -1.991 1.00 53.54 H new ATOM 0 HA2 GLY A 22 -2.936 -9.911 -3.385 1.00 32.44 H new ATOM 0 HA3 GLY A 22 -4.627 -9.988 -3.838 1.00 32.44 H new ATOM 335 N LEU A 23 -2.674 -8.527 -5.477 1.00 54.13 N ATOM 336 CA LEU A 23 -2.372 -7.661 -6.636 1.00 52.13 C ATOM 337 C LEU A 23 -3.650 -7.412 -7.474 1.00 63.12 C ATOM 338 O LEU A 23 -3.839 -6.323 -8.018 1.00 11.12 O ATOM 339 CB LEU A 23 -1.221 -8.315 -7.474 1.00 60.42 C ATOM 340 CG LEU A 23 -0.568 -7.471 -8.642 1.00 15.50 C ATOM 341 CD1 LEU A 23 0.882 -7.933 -8.922 1.00 62.40 C ATOM 342 CD2 LEU A 23 -1.396 -7.539 -9.946 1.00 23.24 C ATOM 0 H LEU A 23 -2.101 -9.370 -5.444 1.00 54.13 H new ATOM 0 HA LEU A 23 -2.030 -6.683 -6.297 1.00 52.13 H new ATOM 0 HB2 LEU A 23 -0.426 -8.597 -6.783 1.00 60.42 H new ATOM 0 HB3 LEU A 23 -1.608 -9.237 -7.907 1.00 60.42 H new ATOM 0 HG LEU A 23 -0.555 -6.435 -8.304 1.00 15.50 H new ATOM 0 HD11 LEU A 23 1.305 -7.335 -9.729 1.00 62.40 H new ATOM 0 HD12 LEU A 23 1.484 -7.806 -8.022 1.00 62.40 H new ATOM 0 HD13 LEU A 23 0.880 -8.984 -9.212 1.00 62.40 H new ATOM 0 HD21 LEU A 23 -0.908 -6.944 -10.718 1.00 23.24 H new ATOM 0 HD22 LEU A 23 -1.469 -8.575 -10.277 1.00 23.24 H new ATOM 0 HD23 LEU A 23 -2.396 -7.146 -9.763 1.00 23.24 H new ATOM 354 N ASN A 24 -4.533 -8.432 -7.516 1.00 23.25 N ATOM 355 CA ASN A 24 -5.833 -8.373 -8.223 1.00 43.24 C ATOM 356 C ASN A 24 -6.739 -7.241 -7.688 1.00 45.01 C ATOM 357 O ASN A 24 -7.491 -6.623 -8.449 1.00 53.31 O ATOM 358 CB ASN A 24 -6.553 -9.747 -8.085 1.00 0.40 C ATOM 359 CG ASN A 24 -7.869 -9.837 -8.865 1.00 3.33 C ATOM 360 OD1 ASN A 24 -7.891 -10.229 -10.032 1.00 55.45 O ATOM 361 ND2 ASN A 24 -8.967 -9.457 -8.234 1.00 25.31 N ATOM 0 H ASN A 24 -4.364 -9.327 -7.057 1.00 23.25 H new ATOM 0 HA ASN A 24 -5.636 -8.155 -9.273 1.00 43.24 H new ATOM 0 HB2 ASN A 24 -5.883 -10.534 -8.430 1.00 0.40 H new ATOM 0 HB3 ASN A 24 -6.753 -9.938 -7.031 1.00 0.40 H new ATOM 0 HD21 ASN A 24 -9.866 -9.484 -8.714 1.00 25.31 H new ATOM 0 HD22 ASN A 24 -8.915 -9.137 -7.267 1.00 25.31 H new ATOM 368 N ILE A 25 -6.653 -6.972 -6.369 1.00 44.31 N ATOM 369 CA ILE A 25 -7.531 -5.992 -5.695 1.00 0.24 C ATOM 370 C ILE A 25 -6.773 -4.700 -5.332 1.00 52.14 C ATOM 371 O ILE A 25 -7.286 -3.884 -4.578 1.00 53.33 O ATOM 372 CB ILE A 25 -8.250 -6.600 -4.422 1.00 52.02 C ATOM 373 CG1 ILE A 25 -7.239 -6.918 -3.275 1.00 72.24 C ATOM 374 CG2 ILE A 25 -9.061 -7.863 -4.803 1.00 51.40 C ATOM 375 CD1 ILE A 25 -7.875 -7.312 -1.947 1.00 43.42 C ATOM 0 H ILE A 25 -5.981 -7.422 -5.747 1.00 44.31 H new ATOM 0 HA ILE A 25 -8.309 -5.735 -6.414 1.00 0.24 H new ATOM 0 HB ILE A 25 -8.938 -5.843 -4.046 1.00 52.02 H new ATOM 0 HG12 ILE A 25 -6.585 -7.726 -3.601 1.00 72.24 H new ATOM 0 HG13 ILE A 25 -6.609 -6.043 -3.114 1.00 72.24 H new ATOM 0 HG21 ILE A 25 -9.547 -8.265 -3.914 1.00 51.40 H new ATOM 0 HG22 ILE A 25 -9.817 -7.600 -5.543 1.00 51.40 H new ATOM 0 HG23 ILE A 25 -8.390 -8.614 -5.221 1.00 51.40 H new ATOM 0 HD11 ILE A 25 -7.093 -7.513 -1.215 1.00 43.42 H new ATOM 0 HD12 ILE A 25 -8.506 -6.498 -1.590 1.00 43.42 H new ATOM 0 HD13 ILE A 25 -8.481 -8.207 -2.085 1.00 43.42 H new ATOM 387 N ILE A 26 -5.565 -4.507 -5.888 1.00 60.24 N ATOM 388 CA ILE A 26 -4.845 -3.212 -5.808 1.00 72.25 C ATOM 389 C ILE A 26 -5.312 -2.319 -6.966 1.00 24.13 C ATOM 390 O ILE A 26 -5.321 -2.770 -8.121 1.00 73.52 O ATOM 391 CB ILE A 26 -3.277 -3.412 -5.900 1.00 41.02 C ATOM 392 CG1 ILE A 26 -2.728 -4.300 -4.736 1.00 43.40 C ATOM 393 CG2 ILE A 26 -2.526 -2.049 -5.958 1.00 10.41 C ATOM 394 CD1 ILE A 26 -2.833 -3.694 -3.353 1.00 51.05 C ATOM 0 H ILE A 26 -5.060 -5.230 -6.401 1.00 60.24 H new ATOM 0 HA ILE A 26 -5.068 -2.749 -4.847 1.00 72.25 H new ATOM 0 HB ILE A 26 -3.086 -3.941 -6.834 1.00 41.02 H new ATOM 0 HG12 ILE A 26 -3.265 -5.248 -4.741 1.00 43.40 H new ATOM 0 HG13 ILE A 26 -1.681 -4.526 -4.937 1.00 43.40 H new ATOM 0 HG21 ILE A 26 -1.453 -2.227 -6.021 1.00 10.41 H new ATOM 0 HG22 ILE A 26 -2.853 -1.491 -6.835 1.00 10.41 H new ATOM 0 HG23 ILE A 26 -2.746 -1.474 -5.059 1.00 10.41 H new ATOM 0 HD11 ILE A 26 -2.425 -4.389 -2.619 1.00 51.05 H new ATOM 0 HD12 ILE A 26 -2.270 -2.761 -3.321 1.00 51.05 H new ATOM 0 HD13 ILE A 26 -3.879 -3.495 -3.122 1.00 51.05 H new ATOM 406 N ASP A 27 -5.709 -1.068 -6.661 1.00 43.05 N ATOM 407 CA ASP A 27 -6.105 -0.087 -7.695 1.00 11.35 C ATOM 408 C ASP A 27 -4.962 0.905 -7.935 1.00 4.32 C ATOM 409 O ASP A 27 -4.430 0.979 -9.046 1.00 34.35 O ATOM 410 CB ASP A 27 -7.396 0.654 -7.262 1.00 24.03 C ATOM 411 CG ASP A 27 -7.961 1.605 -8.338 1.00 22.42 C ATOM 412 OD1 ASP A 27 -7.663 2.812 -8.309 1.00 63.31 O ATOM 413 OD2 ASP A 27 -8.714 1.135 -9.217 1.00 1.30 O ATOM 0 H ASP A 27 -5.765 -0.711 -5.707 1.00 43.05 H new ATOM 0 HA ASP A 27 -6.310 -0.612 -8.628 1.00 11.35 H new ATOM 0 HB2 ASP A 27 -8.158 -0.083 -7.006 1.00 24.03 H new ATOM 0 HB3 ASP A 27 -7.189 1.226 -6.358 1.00 24.03 H new ATOM 418 N ARG A 28 -4.553 1.635 -6.868 1.00 64.21 N ATOM 419 CA ARG A 28 -3.437 2.608 -6.925 1.00 42.21 C ATOM 420 C ARG A 28 -2.653 2.576 -5.602 1.00 2.42 C ATOM 421 O ARG A 28 -3.250 2.512 -4.526 1.00 60.13 O ATOM 422 CB ARG A 28 -3.931 4.074 -7.194 1.00 60.20 C ATOM 423 CG ARG A 28 -4.655 4.331 -8.548 1.00 4.44 C ATOM 424 CD ARG A 28 -3.791 3.992 -9.784 1.00 43.35 C ATOM 425 NE ARG A 28 -4.425 4.381 -11.058 1.00 0.43 N ATOM 426 CZ ARG A 28 -5.361 3.674 -11.709 1.00 24.14 C ATOM 427 NH1 ARG A 28 -5.803 2.508 -11.231 1.00 13.54 N ATOM 428 NH2 ARG A 28 -5.827 4.133 -12.865 1.00 3.24 N ATOM 0 H ARG A 28 -4.987 1.565 -5.947 1.00 64.21 H new ATOM 0 HA ARG A 28 -2.798 2.315 -7.758 1.00 42.21 H new ATOM 0 HB2 ARG A 28 -4.607 4.359 -6.388 1.00 60.20 H new ATOM 0 HB3 ARG A 28 -3.069 4.739 -7.137 1.00 60.20 H new ATOM 0 HG2 ARG A 28 -5.569 3.738 -8.580 1.00 4.44 H new ATOM 0 HG3 ARG A 28 -4.952 5.378 -8.599 1.00 4.44 H new ATOM 0 HD2 ARG A 28 -2.828 4.495 -9.696 1.00 43.35 H new ATOM 0 HD3 ARG A 28 -3.591 2.921 -9.797 1.00 43.35 H new ATOM 0 HE ARG A 28 -4.127 5.261 -11.479 1.00 0.43 H new ATOM 0 HH11 ARG A 28 -5.428 2.140 -10.356 1.00 13.54 H new ATOM 0 HH12 ARG A 28 -6.515 1.985 -11.741 1.00 13.54 H new ATOM 0 HH21 ARG A 28 -5.473 5.011 -13.245 1.00 3.24 H new ATOM 0 HH22 ARG A 28 -6.539 3.608 -13.373 1.00 3.24 H new ATOM 442 N ILE A 29 -1.317 2.658 -5.704 1.00 71.10 N ATOM 443 CA ILE A 29 -0.400 2.726 -4.548 1.00 11.12 C ATOM 444 C ILE A 29 0.174 4.152 -4.425 1.00 30.11 C ATOM 445 O ILE A 29 0.804 4.651 -5.360 1.00 35.44 O ATOM 446 CB ILE A 29 0.793 1.696 -4.715 1.00 34.15 C ATOM 447 CG1 ILE A 29 0.247 0.239 -4.726 1.00 23.00 C ATOM 448 CG2 ILE A 29 1.882 1.874 -3.622 1.00 44.41 C ATOM 449 CD1 ILE A 29 1.295 -0.838 -4.942 1.00 52.12 C ATOM 0 H ILE A 29 -0.834 2.679 -6.602 1.00 71.10 H new ATOM 0 HA ILE A 29 -0.961 2.471 -3.649 1.00 11.12 H new ATOM 0 HB ILE A 29 1.273 1.901 -5.672 1.00 34.15 H new ATOM 0 HG12 ILE A 29 -0.257 0.049 -3.779 1.00 23.00 H new ATOM 0 HG13 ILE A 29 -0.505 0.155 -5.510 1.00 23.00 H new ATOM 0 HG21 ILE A 29 2.678 1.146 -3.779 1.00 44.41 H new ATOM 0 HG22 ILE A 29 2.295 2.881 -3.680 1.00 44.41 H new ATOM 0 HG23 ILE A 29 1.439 1.720 -2.638 1.00 44.41 H new ATOM 0 HD11 ILE A 29 0.817 -1.818 -4.934 1.00 52.12 H new ATOM 0 HD12 ILE A 29 1.785 -0.682 -5.903 1.00 52.12 H new ATOM 0 HD13 ILE A 29 2.037 -0.789 -4.145 1.00 52.12 H new ATOM 461 N GLN A 30 -0.091 4.803 -3.290 1.00 13.22 N ATOM 462 CA GLN A 30 0.523 6.087 -2.906 1.00 13.31 C ATOM 463 C GLN A 30 1.555 5.790 -1.806 1.00 41.21 C ATOM 464 O GLN A 30 1.279 5.009 -0.897 1.00 71.25 O ATOM 465 CB GLN A 30 -0.600 7.060 -2.411 1.00 72.35 C ATOM 466 CG GLN A 30 -0.148 8.389 -1.758 1.00 1.21 C ATOM 467 CD GLN A 30 0.693 9.268 -2.677 1.00 50.53 C ATOM 468 OE1 GLN A 30 0.172 10.064 -3.462 1.00 74.32 O ATOM 469 NE2 GLN A 30 2.000 9.164 -2.553 1.00 0.51 N ATOM 0 H GLN A 30 -0.750 4.450 -2.596 1.00 13.22 H new ATOM 0 HA GLN A 30 1.026 6.569 -3.745 1.00 13.31 H new ATOM 0 HB2 GLN A 30 -1.237 7.301 -3.262 1.00 72.35 H new ATOM 0 HB3 GLN A 30 -1.219 6.524 -1.692 1.00 72.35 H new ATOM 0 HG2 GLN A 30 -1.030 8.947 -1.443 1.00 1.21 H new ATOM 0 HG3 GLN A 30 0.426 8.165 -0.859 1.00 1.21 H new ATOM 0 HE21 GLN A 30 2.398 8.495 -1.894 1.00 0.51 H new ATOM 0 HE22 GLN A 30 2.614 9.752 -3.116 1.00 0.51 H new ATOM 478 N VAL A 31 2.749 6.383 -1.906 1.00 53.34 N ATOM 479 CA VAL A 31 3.805 6.213 -0.880 1.00 14.13 C ATOM 480 C VAL A 31 4.312 7.590 -0.429 1.00 63.21 C ATOM 481 O VAL A 31 4.644 8.447 -1.260 1.00 14.50 O ATOM 482 CB VAL A 31 5.001 5.287 -1.361 1.00 23.11 C ATOM 483 CG1 VAL A 31 5.695 5.792 -2.646 1.00 22.11 C ATOM 484 CG2 VAL A 31 6.037 5.081 -0.232 1.00 44.34 C ATOM 0 H VAL A 31 3.017 6.986 -2.684 1.00 53.34 H new ATOM 0 HA VAL A 31 3.356 5.695 -0.032 1.00 14.13 H new ATOM 0 HB VAL A 31 4.549 4.327 -1.610 1.00 23.11 H new ATOM 0 HG11 VAL A 31 6.502 5.111 -2.916 1.00 22.11 H new ATOM 0 HG12 VAL A 31 4.970 5.835 -3.458 1.00 22.11 H new ATOM 0 HG13 VAL A 31 6.104 6.787 -2.472 1.00 22.11 H new ATOM 0 HG21 VAL A 31 6.844 4.443 -0.591 1.00 44.34 H new ATOM 0 HG22 VAL A 31 6.444 6.046 0.069 1.00 44.34 H new ATOM 0 HG23 VAL A 31 5.554 4.609 0.623 1.00 44.34 H new ATOM 494 N THR A 32 4.311 7.813 0.888 1.00 3.05 N ATOM 495 CA THR A 32 4.811 9.044 1.501 1.00 34.21 C ATOM 496 C THR A 32 6.007 8.693 2.427 1.00 32.44 C ATOM 497 O THR A 32 5.803 8.143 3.510 1.00 65.12 O ATOM 498 CB THR A 32 3.668 9.773 2.296 1.00 60.31 C ATOM 499 OG1 THR A 32 3.025 8.853 3.197 1.00 22.34 O ATOM 500 CG2 THR A 32 2.599 10.402 1.373 1.00 13.13 C ATOM 0 H THR A 32 3.959 7.136 1.565 1.00 3.05 H new ATOM 0 HA THR A 32 5.150 9.730 0.725 1.00 34.21 H new ATOM 0 HB THR A 32 4.145 10.582 2.850 1.00 60.31 H new ATOM 0 HG1 THR A 32 3.064 7.948 2.823 1.00 22.34 H new ATOM 0 HG21 THR A 32 1.837 10.891 1.980 1.00 13.13 H new ATOM 0 HG22 THR A 32 3.069 11.137 0.720 1.00 13.13 H new ATOM 0 HG23 THR A 32 2.136 9.622 0.768 1.00 13.13 H new ATOM 508 N PRO A 33 7.280 8.965 1.990 1.00 61.01 N ATOM 509 CA PRO A 33 8.510 8.713 2.815 1.00 71.52 C ATOM 510 C PRO A 33 8.576 9.641 4.067 1.00 0.04 C ATOM 511 O PRO A 33 7.763 10.566 4.178 1.00 24.13 O ATOM 512 CB PRO A 33 9.657 9.009 1.802 1.00 64.12 C ATOM 513 CG PRO A 33 9.059 9.971 0.820 1.00 72.30 C ATOM 514 CD PRO A 33 7.625 9.534 0.658 1.00 2.24 C ATOM 0 HA PRO A 33 8.553 7.707 3.233 1.00 71.52 H new ATOM 0 HB2 PRO A 33 10.524 9.441 2.301 1.00 64.12 H new ATOM 0 HB3 PRO A 33 9.994 8.098 1.308 1.00 64.12 H new ATOM 0 HG2 PRO A 33 9.119 10.996 1.187 1.00 72.30 H new ATOM 0 HG3 PRO A 33 9.589 9.942 -0.132 1.00 72.30 H new ATOM 0 HD2 PRO A 33 6.977 10.372 0.400 1.00 2.24 H new ATOM 0 HD3 PRO A 33 7.519 8.793 -0.134 1.00 2.24 H new ATOM 522 N PRO A 34 9.533 9.415 5.046 1.00 54.31 N ATOM 523 CA PRO A 34 9.723 10.336 6.198 1.00 33.42 C ATOM 524 C PRO A 34 10.045 11.782 5.722 1.00 13.02 C ATOM 525 O PRO A 34 11.176 12.097 5.324 1.00 61.22 O ATOM 526 CB PRO A 34 10.894 9.695 7.001 1.00 31.41 C ATOM 527 CG PRO A 34 11.554 8.738 6.050 1.00 61.11 C ATOM 528 CD PRO A 34 10.448 8.237 5.150 1.00 64.31 C ATOM 0 HA PRO A 34 8.826 10.446 6.808 1.00 33.42 H new ATOM 0 HB2 PRO A 34 11.596 10.454 7.345 1.00 31.41 H new ATOM 0 HB3 PRO A 34 10.526 9.177 7.887 1.00 31.41 H new ATOM 0 HG2 PRO A 34 12.335 9.234 5.473 1.00 61.11 H new ATOM 0 HG3 PRO A 34 12.027 7.915 6.586 1.00 61.11 H new ATOM 0 HD2 PRO A 34 10.828 7.935 4.174 1.00 64.31 H new ATOM 0 HD3 PRO A 34 9.943 7.371 5.577 1.00 64.31 H new ATOM 536 N GLY A 35 9.005 12.620 5.726 1.00 21.51 N ATOM 537 CA GLY A 35 9.037 13.976 5.168 1.00 14.52 C ATOM 538 C GLY A 35 7.632 14.582 5.211 1.00 31.53 C ATOM 539 O GLY A 35 6.676 13.837 5.417 1.00 14.40 O ATOM 0 H GLY A 35 8.100 12.371 6.125 1.00 21.51 H new ATOM 0 HA2 GLY A 35 9.730 14.597 5.736 1.00 14.52 H new ATOM 0 HA3 GLY A 35 9.401 13.949 4.141 1.00 14.52 H new ATOM 543 N ASN A 36 7.509 15.924 5.042 1.00 63.43 N ATOM 544 CA ASN A 36 6.206 16.662 5.218 1.00 41.23 C ATOM 545 C ASN A 36 5.746 16.606 6.713 1.00 5.41 C ATOM 546 O ASN A 36 4.588 16.866 7.058 1.00 50.23 O ATOM 547 CB ASN A 36 5.131 16.113 4.201 1.00 31.24 C ATOM 548 CG ASN A 36 3.731 16.756 4.278 1.00 63.33 C ATOM 549 OD1 ASN A 36 3.484 17.829 3.727 1.00 33.31 O ATOM 550 ND2 ASN A 36 2.805 16.093 4.953 1.00 33.10 N ATOM 0 H ASN A 36 8.290 16.527 4.784 1.00 63.43 H new ATOM 0 HA ASN A 36 6.340 17.718 4.983 1.00 41.23 H new ATOM 0 HB2 ASN A 36 5.515 16.248 3.190 1.00 31.24 H new ATOM 0 HB3 ASN A 36 5.025 15.040 4.361 1.00 31.24 H new ATOM 0 HD21 ASN A 36 1.860 16.469 5.026 1.00 33.10 H new ATOM 0 HD22 ASN A 36 3.037 15.206 5.400 1.00 33.10 H new ATOM 557 N GLY A 37 6.720 16.311 7.605 1.00 12.14 N ATOM 558 CA GLY A 37 6.459 16.121 9.036 1.00 73.44 C ATOM 559 C GLY A 37 5.913 14.736 9.372 1.00 5.31 C ATOM 560 O GLY A 37 5.496 14.503 10.508 1.00 40.40 O ATOM 0 H GLY A 37 7.701 16.200 7.347 1.00 12.14 H new ATOM 0 HA2 GLY A 37 7.383 16.284 9.591 1.00 73.44 H new ATOM 0 HA3 GLY A 37 5.748 16.876 9.372 1.00 73.44 H new ATOM 564 N CYS A 38 5.908 13.830 8.379 1.00 71.44 N ATOM 565 CA CYS A 38 5.435 12.444 8.550 1.00 24.41 C ATOM 566 C CYS A 38 6.585 11.565 9.106 1.00 3.04 C ATOM 567 O CYS A 38 7.719 11.678 8.621 1.00 22.12 O ATOM 568 CB CYS A 38 4.943 11.917 7.189 1.00 43.25 C ATOM 569 SG CYS A 38 3.801 13.063 6.358 1.00 52.14 S ATOM 0 H CYS A 38 6.232 14.038 7.434 1.00 71.44 H new ATOM 0 HA CYS A 38 4.610 12.410 9.262 1.00 24.41 H new ATOM 0 HB2 CYS A 38 5.802 11.736 6.543 1.00 43.25 H new ATOM 0 HB3 CYS A 38 4.446 10.958 7.334 1.00 43.25 H new ATOM 574 N PRO A 39 6.306 10.665 10.109 1.00 73.41 N ATOM 575 CA PRO A 39 7.368 9.966 10.886 1.00 1.34 C ATOM 576 C PRO A 39 8.215 8.978 10.054 1.00 33.22 C ATOM 577 O PRO A 39 9.446 9.051 10.057 1.00 21.12 O ATOM 578 CB PRO A 39 6.567 9.235 11.998 1.00 61.12 C ATOM 579 CG PRO A 39 5.198 9.033 11.415 1.00 11.23 C ATOM 580 CD PRO A 39 4.938 10.246 10.545 1.00 2.21 C ATOM 0 HA PRO A 39 8.112 10.668 11.263 1.00 1.34 H new ATOM 0 HB2 PRO A 39 7.030 8.283 12.259 1.00 61.12 H new ATOM 0 HB3 PRO A 39 6.525 9.829 12.911 1.00 61.12 H new ATOM 0 HG2 PRO A 39 5.154 8.115 10.829 1.00 11.23 H new ATOM 0 HG3 PRO A 39 4.447 8.947 12.200 1.00 11.23 H new ATOM 0 HD2 PRO A 39 4.303 10.000 9.694 1.00 2.21 H new ATOM 0 HD3 PRO A 39 4.434 11.037 11.100 1.00 2.21 H new ATOM 588 N LYS A 40 7.539 8.060 9.349 1.00 11.35 N ATOM 589 CA LYS A 40 8.171 6.941 8.617 1.00 63.45 C ATOM 590 C LYS A 40 7.541 6.816 7.219 1.00 33.51 C ATOM 591 O LYS A 40 6.644 7.597 6.872 1.00 1.24 O ATOM 592 CB LYS A 40 8.010 5.607 9.418 1.00 33.31 C ATOM 593 CG LYS A 40 8.773 5.559 10.762 1.00 55.55 C ATOM 594 CD LYS A 40 10.304 5.675 10.585 1.00 14.44 C ATOM 595 CE LYS A 40 11.066 5.696 11.922 1.00 14.22 C ATOM 596 NZ LYS A 40 10.745 6.898 12.740 1.00 2.31 N ATOM 0 H LYS A 40 6.522 8.070 9.267 1.00 11.35 H new ATOM 0 HA LYS A 40 9.236 7.142 8.506 1.00 63.45 H new ATOM 0 HB2 LYS A 40 6.950 5.443 9.612 1.00 33.31 H new ATOM 0 HB3 LYS A 40 8.351 4.782 8.793 1.00 33.31 H new ATOM 0 HG2 LYS A 40 8.423 6.369 11.402 1.00 55.55 H new ATOM 0 HG3 LYS A 40 8.541 4.625 11.274 1.00 55.55 H new ATOM 0 HD2 LYS A 40 10.659 4.837 9.984 1.00 14.44 H new ATOM 0 HD3 LYS A 40 10.532 6.585 10.029 1.00 14.44 H new ATOM 0 HE2 LYS A 40 10.823 4.798 12.490 1.00 14.22 H new ATOM 0 HE3 LYS A 40 12.138 5.669 11.726 1.00 14.22 H new ATOM 0 HZ1 LYS A 40 11.356 6.919 13.581 1.00 2.31 H new ATOM 0 HZ2 LYS A 40 10.905 7.756 12.174 1.00 2.31 H new ATOM 0 HZ3 LYS A 40 9.749 6.860 13.037 1.00 2.31 H new ATOM 610 N THR A 41 8.053 5.869 6.407 1.00 53.14 N ATOM 611 CA THR A 41 7.473 5.554 5.099 1.00 43.21 C ATOM 612 C THR A 41 6.079 4.917 5.301 1.00 74.25 C ATOM 613 O THR A 41 5.963 3.779 5.786 1.00 62.34 O ATOM 614 CB THR A 41 8.412 4.576 4.329 1.00 64.24 C ATOM 615 OG1 THR A 41 9.749 5.102 4.373 1.00 41.30 O ATOM 616 CG2 THR A 41 7.985 4.345 2.857 1.00 64.34 C ATOM 0 H THR A 41 8.873 5.309 6.642 1.00 53.14 H new ATOM 0 HA THR A 41 7.366 6.467 4.513 1.00 43.21 H new ATOM 0 HB THR A 41 8.352 3.604 4.819 1.00 64.24 H new ATOM 0 HG1 THR A 41 10.354 4.498 3.894 1.00 41.30 H new ATOM 0 HG21 THR A 41 8.681 3.655 2.380 1.00 64.34 H new ATOM 0 HG22 THR A 41 6.981 3.923 2.832 1.00 64.34 H new ATOM 0 HG23 THR A 41 7.993 5.295 2.323 1.00 64.34 H new ATOM 624 N GLU A 42 5.046 5.672 4.923 1.00 22.33 N ATOM 625 CA GLU A 42 3.636 5.280 5.042 1.00 74.12 C ATOM 626 C GLU A 42 3.071 5.062 3.628 1.00 75.22 C ATOM 627 O GLU A 42 2.946 6.012 2.849 1.00 60.04 O ATOM 628 CB GLU A 42 2.852 6.402 5.789 1.00 10.41 C ATOM 629 CG GLU A 42 3.364 6.701 7.223 1.00 64.44 C ATOM 630 CD GLU A 42 2.660 7.897 7.896 1.00 3.54 C ATOM 631 OE1 GLU A 42 1.598 7.702 8.533 1.00 73.25 O ATOM 632 OE2 GLU A 42 3.186 9.031 7.828 1.00 63.20 O ATOM 0 H GLU A 42 5.168 6.599 4.514 1.00 22.33 H new ATOM 0 HA GLU A 42 3.537 4.356 5.612 1.00 74.12 H new ATOM 0 HB2 GLU A 42 2.904 7.318 5.200 1.00 10.41 H new ATOM 0 HB3 GLU A 42 1.801 6.118 5.844 1.00 10.41 H new ATOM 0 HG2 GLU A 42 3.225 5.814 7.841 1.00 64.44 H new ATOM 0 HG3 GLU A 42 4.436 6.897 7.183 1.00 64.44 H new ATOM 639 N VAL A 43 2.744 3.811 3.302 1.00 72.51 N ATOM 640 CA VAL A 43 2.252 3.440 1.975 1.00 1.04 C ATOM 641 C VAL A 43 0.715 3.373 2.030 1.00 53.32 C ATOM 642 O VAL A 43 0.140 2.408 2.545 1.00 61.12 O ATOM 643 CB VAL A 43 2.868 2.063 1.517 1.00 11.01 C ATOM 644 CG1 VAL A 43 2.532 1.759 0.047 1.00 50.53 C ATOM 645 CG2 VAL A 43 4.396 2.021 1.760 1.00 13.24 C ATOM 0 H VAL A 43 2.813 3.027 3.950 1.00 72.51 H new ATOM 0 HA VAL A 43 2.557 4.186 1.241 1.00 1.04 H new ATOM 0 HB VAL A 43 2.413 1.283 2.128 1.00 11.01 H new ATOM 0 HG11 VAL A 43 2.972 0.803 -0.236 1.00 50.53 H new ATOM 0 HG12 VAL A 43 1.450 1.712 -0.077 1.00 50.53 H new ATOM 0 HG13 VAL A 43 2.936 2.547 -0.589 1.00 50.53 H new ATOM 0 HG21 VAL A 43 4.790 1.059 1.434 1.00 13.24 H new ATOM 0 HG22 VAL A 43 4.876 2.820 1.195 1.00 13.24 H new ATOM 0 HG23 VAL A 43 4.599 2.155 2.822 1.00 13.24 H new ATOM 655 N VAL A 44 0.073 4.431 1.529 1.00 10.44 N ATOM 656 CA VAL A 44 -1.388 4.581 1.523 1.00 30.22 C ATOM 657 C VAL A 44 -1.939 4.028 0.194 1.00 44.11 C ATOM 658 O VAL A 44 -1.719 4.617 -0.859 1.00 63.54 O ATOM 659 CB VAL A 44 -1.764 6.110 1.682 1.00 61.32 C ATOM 660 CG1 VAL A 44 -3.289 6.339 1.657 1.00 42.14 C ATOM 661 CG2 VAL A 44 -1.133 6.708 2.964 1.00 71.52 C ATOM 0 H VAL A 44 0.560 5.222 1.108 1.00 10.44 H new ATOM 0 HA VAL A 44 -1.826 4.027 2.353 1.00 30.22 H new ATOM 0 HB VAL A 44 -1.348 6.633 0.821 1.00 61.32 H new ATOM 0 HG11 VAL A 44 -3.499 7.403 1.769 1.00 42.14 H new ATOM 0 HG12 VAL A 44 -3.694 5.987 0.708 1.00 42.14 H new ATOM 0 HG13 VAL A 44 -3.753 5.789 2.476 1.00 42.14 H new ATOM 0 HG21 VAL A 44 -1.408 7.759 3.048 1.00 71.52 H new ATOM 0 HG22 VAL A 44 -1.499 6.166 3.836 1.00 71.52 H new ATOM 0 HG23 VAL A 44 -0.048 6.619 2.911 1.00 71.52 H new ATOM 671 N ILE A 45 -2.644 2.891 0.237 1.00 35.45 N ATOM 672 CA ILE A 45 -3.086 2.191 -0.984 1.00 32.04 C ATOM 673 C ILE A 45 -4.622 2.203 -1.088 1.00 41.32 C ATOM 674 O ILE A 45 -5.319 1.859 -0.130 1.00 41.23 O ATOM 675 CB ILE A 45 -2.557 0.707 -1.005 1.00 62.44 C ATOM 676 CG1 ILE A 45 -1.009 0.690 -0.850 1.00 25.53 C ATOM 677 CG2 ILE A 45 -2.999 -0.040 -2.288 1.00 72.44 C ATOM 678 CD1 ILE A 45 -0.374 -0.683 -0.744 1.00 33.43 C ATOM 0 H ILE A 45 -2.923 2.432 1.104 1.00 35.45 H new ATOM 0 HA ILE A 45 -2.670 2.719 -1.842 1.00 32.04 H new ATOM 0 HB ILE A 45 -2.998 0.177 -0.161 1.00 62.44 H new ATOM 0 HG12 ILE A 45 -0.571 1.208 -1.703 1.00 25.53 H new ATOM 0 HG13 ILE A 45 -0.745 1.262 0.040 1.00 25.53 H new ATOM 0 HG21 ILE A 45 -2.615 -1.060 -2.266 1.00 72.44 H new ATOM 0 HG22 ILE A 45 -4.088 -0.063 -2.339 1.00 72.44 H new ATOM 0 HG23 ILE A 45 -2.606 0.477 -3.164 1.00 72.44 H new ATOM 0 HD11 ILE A 45 0.706 -0.577 -0.640 1.00 33.43 H new ATOM 0 HD12 ILE A 45 -0.774 -1.202 0.127 1.00 33.43 H new ATOM 0 HD13 ILE A 45 -0.597 -1.257 -1.643 1.00 33.43 H new ATOM 690 N TRP A 46 -5.132 2.630 -2.252 1.00 10.50 N ATOM 691 CA TRP A 46 -6.545 2.490 -2.620 1.00 61.14 C ATOM 692 C TRP A 46 -6.708 1.129 -3.311 1.00 21.22 C ATOM 693 O TRP A 46 -5.978 0.832 -4.272 1.00 31.02 O ATOM 694 CB TRP A 46 -6.963 3.637 -3.580 1.00 42.10 C ATOM 695 CG TRP A 46 -6.938 5.017 -2.954 1.00 62.13 C ATOM 696 CD1 TRP A 46 -5.833 5.795 -2.700 1.00 75.33 C ATOM 697 CD2 TRP A 46 -8.075 5.801 -2.555 1.00 50.43 C ATOM 698 NE1 TRP A 46 -6.216 6.984 -2.131 1.00 3.34 N ATOM 699 CE2 TRP A 46 -7.584 7.018 -2.045 1.00 0.02 C ATOM 700 CE3 TRP A 46 -9.462 5.587 -2.575 1.00 32.24 C ATOM 701 CZ2 TRP A 46 -8.428 8.016 -1.560 1.00 62.21 C ATOM 702 CZ3 TRP A 46 -10.297 6.579 -2.095 1.00 13.41 C ATOM 703 CH2 TRP A 46 -9.777 7.780 -1.592 1.00 30.54 C ATOM 0 H TRP A 46 -4.569 3.086 -2.970 1.00 10.50 H new ATOM 0 HA TRP A 46 -7.181 2.547 -1.736 1.00 61.14 H new ATOM 0 HB2 TRP A 46 -6.299 3.631 -4.444 1.00 42.10 H new ATOM 0 HB3 TRP A 46 -7.969 3.437 -3.949 1.00 42.10 H new ATOM 0 HD1 TRP A 46 -4.813 5.512 -2.916 1.00 75.33 H new ATOM 0 HE1 TRP A 46 -5.585 7.723 -1.822 1.00 3.34 H new ATOM 0 HE3 TRP A 46 -9.870 4.664 -2.959 1.00 32.24 H new ATOM 0 HZ2 TRP A 46 -8.032 8.943 -1.172 1.00 62.21 H new ATOM 0 HZ3 TRP A 46 -11.366 6.426 -2.108 1.00 13.41 H new ATOM 0 HH2 TRP A 46 -10.455 8.535 -1.222 1.00 30.54 H new ATOM 714 N THR A 47 -7.604 0.283 -2.797 1.00 22.13 N ATOM 715 CA THR A 47 -7.937 -1.005 -3.426 1.00 71.25 C ATOM 716 C THR A 47 -9.016 -0.812 -4.512 1.00 71.25 C ATOM 717 O THR A 47 -9.541 0.295 -4.689 1.00 5.51 O ATOM 718 CB THR A 47 -8.426 -2.024 -2.350 1.00 1.20 C ATOM 719 OG1 THR A 47 -9.552 -1.480 -1.653 1.00 63.55 O ATOM 720 CG2 THR A 47 -7.311 -2.365 -1.340 1.00 3.33 C ATOM 0 H THR A 47 -8.119 0.467 -1.936 1.00 22.13 H new ATOM 0 HA THR A 47 -7.038 -1.402 -3.898 1.00 71.25 H new ATOM 0 HB THR A 47 -8.709 -2.944 -2.862 1.00 1.20 H new ATOM 0 HG1 THR A 47 -9.247 -0.791 -1.027 1.00 63.55 H new ATOM 0 HG21 THR A 47 -7.690 -3.077 -0.607 1.00 3.33 H new ATOM 0 HG22 THR A 47 -6.464 -2.803 -1.868 1.00 3.33 H new ATOM 0 HG23 THR A 47 -6.991 -1.456 -0.831 1.00 3.33 H new ATOM 728 N LYS A 48 -9.328 -1.903 -5.249 1.00 62.31 N ATOM 729 CA LYS A 48 -10.415 -1.926 -6.257 1.00 4.03 C ATOM 730 C LYS A 48 -11.802 -1.796 -5.584 1.00 41.44 C ATOM 731 O LYS A 48 -12.774 -1.371 -6.212 1.00 2.25 O ATOM 732 CB LYS A 48 -10.323 -3.231 -7.097 1.00 42.43 C ATOM 733 CG LYS A 48 -9.069 -3.348 -8.006 1.00 52.30 C ATOM 734 CD LYS A 48 -9.022 -2.285 -9.126 1.00 1.33 C ATOM 735 CE LYS A 48 -10.248 -2.322 -10.057 1.00 72.14 C ATOM 736 NZ LYS A 48 -10.419 -3.645 -10.716 1.00 70.50 N ATOM 0 H LYS A 48 -8.834 -2.791 -5.162 1.00 62.31 H new ATOM 0 HA LYS A 48 -10.295 -1.070 -6.921 1.00 4.03 H new ATOM 0 HB2 LYS A 48 -10.340 -4.083 -6.417 1.00 42.43 H new ATOM 0 HB3 LYS A 48 -11.213 -3.305 -7.722 1.00 42.43 H new ATOM 0 HG2 LYS A 48 -8.174 -3.257 -7.391 1.00 52.30 H new ATOM 0 HG3 LYS A 48 -9.047 -4.341 -8.456 1.00 52.30 H new ATOM 0 HD2 LYS A 48 -8.948 -1.296 -8.675 1.00 1.33 H new ATOM 0 HD3 LYS A 48 -8.120 -2.433 -9.720 1.00 1.33 H new ATOM 0 HE2 LYS A 48 -11.144 -2.086 -9.483 1.00 72.14 H new ATOM 0 HE3 LYS A 48 -10.146 -1.550 -10.819 1.00 72.14 H new ATOM 0 HZ1 LYS A 48 -11.237 -3.610 -11.358 1.00 70.50 H new ATOM 0 HZ2 LYS A 48 -9.562 -3.876 -11.259 1.00 70.50 H new ATOM 0 HZ3 LYS A 48 -10.578 -4.375 -9.993 1.00 70.50 H new ATOM 750 N MET A 49 -11.846 -2.143 -4.286 1.00 21.25 N ATOM 751 CA MET A 49 -13.014 -1.942 -3.408 1.00 3.41 C ATOM 752 C MET A 49 -13.124 -0.460 -2.984 1.00 13.45 C ATOM 753 O MET A 49 -14.073 -0.078 -2.294 1.00 25.12 O ATOM 754 CB MET A 49 -12.861 -2.837 -2.144 1.00 50.12 C ATOM 755 CG MET A 49 -12.742 -4.347 -2.422 1.00 62.11 C ATOM 756 SD MET A 49 -12.365 -5.311 -0.935 1.00 51.15 S ATOM 757 CE MET A 49 -10.794 -4.604 -0.411 1.00 70.43 C ATOM 0 H MET A 49 -11.057 -2.579 -3.808 1.00 21.25 H new ATOM 0 HA MET A 49 -13.919 -2.216 -3.951 1.00 3.41 H new ATOM 0 HB2 MET A 49 -11.977 -2.514 -1.594 1.00 50.12 H new ATOM 0 HB3 MET A 49 -13.720 -2.670 -1.494 1.00 50.12 H new ATOM 0 HG2 MET A 49 -13.676 -4.706 -2.854 1.00 62.11 H new ATOM 0 HG3 MET A 49 -11.962 -4.514 -3.165 1.00 62.11 H new ATOM 0 HE1 MET A 49 -10.282 -5.304 0.248 1.00 70.43 H new ATOM 0 HE2 MET A 49 -10.173 -4.409 -1.285 1.00 70.43 H new ATOM 0 HE3 MET A 49 -10.975 -3.670 0.122 1.00 70.43 H new ATOM 767 N LYS A 50 -12.111 0.347 -3.399 1.00 35.14 N ATOM 768 CA LYS A 50 -11.913 1.762 -3.007 1.00 55.13 C ATOM 769 C LYS A 50 -11.727 1.901 -1.491 1.00 53.10 C ATOM 770 O LYS A 50 -11.934 2.977 -0.924 1.00 70.23 O ATOM 771 CB LYS A 50 -13.043 2.677 -3.569 1.00 75.11 C ATOM 772 CG LYS A 50 -13.200 2.625 -5.111 1.00 63.44 C ATOM 773 CD LYS A 50 -11.892 2.938 -5.889 1.00 10.14 C ATOM 774 CE LYS A 50 -11.358 4.362 -5.654 1.00 2.10 C ATOM 775 NZ LYS A 50 -12.322 5.414 -6.078 1.00 11.31 N ATOM 0 H LYS A 50 -11.387 0.016 -4.037 1.00 35.14 H new ATOM 0 HA LYS A 50 -10.987 2.111 -3.464 1.00 55.13 H new ATOM 0 HB2 LYS A 50 -13.989 2.390 -3.110 1.00 75.11 H new ATOM 0 HB3 LYS A 50 -12.843 3.706 -3.271 1.00 75.11 H new ATOM 0 HG2 LYS A 50 -13.553 1.634 -5.397 1.00 63.44 H new ATOM 0 HG3 LYS A 50 -13.969 3.336 -5.412 1.00 63.44 H new ATOM 0 HD2 LYS A 50 -11.126 2.220 -5.598 1.00 10.14 H new ATOM 0 HD3 LYS A 50 -12.071 2.798 -6.955 1.00 10.14 H new ATOM 0 HE2 LYS A 50 -11.129 4.490 -4.596 1.00 2.10 H new ATOM 0 HE3 LYS A 50 -10.423 4.490 -6.200 1.00 2.10 H new ATOM 0 HZ1 LYS A 50 -11.887 6.351 -5.961 1.00 11.31 H new ATOM 0 HZ2 LYS A 50 -12.574 5.271 -7.077 1.00 11.31 H new ATOM 0 HZ3 LYS A 50 -13.180 5.355 -5.493 1.00 11.31 H new ATOM 789 N LYS A 51 -11.284 0.795 -0.867 1.00 53.54 N ATOM 790 CA LYS A 51 -10.992 0.711 0.566 1.00 14.03 C ATOM 791 C LYS A 51 -9.545 1.204 0.754 1.00 63.32 C ATOM 792 O LYS A 51 -8.613 0.689 0.110 1.00 42.41 O ATOM 793 CB LYS A 51 -11.199 -0.780 1.029 1.00 13.43 C ATOM 794 CG LYS A 51 -11.334 -1.048 2.553 1.00 55.23 C ATOM 795 CD LYS A 51 -10.028 -0.882 3.352 1.00 42.33 C ATOM 796 CE LYS A 51 -10.196 -1.243 4.838 1.00 43.31 C ATOM 797 NZ LYS A 51 -11.266 -0.448 5.499 1.00 2.25 N ATOM 0 H LYS A 51 -11.117 -0.082 -1.360 1.00 53.54 H new ATOM 0 HA LYS A 51 -11.652 1.328 1.176 1.00 14.03 H new ATOM 0 HB2 LYS A 51 -12.095 -1.162 0.540 1.00 13.43 H new ATOM 0 HB3 LYS A 51 -10.359 -1.367 0.658 1.00 13.43 H new ATOM 0 HG2 LYS A 51 -12.083 -0.371 2.963 1.00 55.23 H new ATOM 0 HG3 LYS A 51 -11.707 -2.062 2.699 1.00 55.23 H new ATOM 0 HD2 LYS A 51 -9.255 -1.513 2.913 1.00 42.33 H new ATOM 0 HD3 LYS A 51 -9.683 0.149 3.269 1.00 42.33 H new ATOM 0 HE2 LYS A 51 -10.429 -2.304 4.927 1.00 43.31 H new ATOM 0 HE3 LYS A 51 -9.252 -1.079 5.358 1.00 43.31 H new ATOM 0 HZ1 LYS A 51 -11.261 -0.641 6.521 1.00 2.25 H new ATOM 0 HZ2 LYS A 51 -11.096 0.565 5.337 1.00 2.25 H new ATOM 0 HZ3 LYS A 51 -12.190 -0.712 5.102 1.00 2.25 H new ATOM 811 N VAL A 52 -9.379 2.212 1.612 1.00 3.40 N ATOM 812 CA VAL A 52 -8.084 2.852 1.868 1.00 32.01 C ATOM 813 C VAL A 52 -7.374 2.095 2.998 1.00 63.40 C ATOM 814 O VAL A 52 -7.979 1.810 4.039 1.00 54.15 O ATOM 815 CB VAL A 52 -8.254 4.372 2.255 1.00 21.34 C ATOM 816 CG1 VAL A 52 -6.883 5.060 2.436 1.00 21.22 C ATOM 817 CG2 VAL A 52 -9.104 5.126 1.207 1.00 44.43 C ATOM 0 H VAL A 52 -10.145 2.612 2.154 1.00 3.40 H new ATOM 0 HA VAL A 52 -7.488 2.814 0.956 1.00 32.01 H new ATOM 0 HB VAL A 52 -8.781 4.408 3.209 1.00 21.34 H new ATOM 0 HG11 VAL A 52 -7.033 6.106 2.702 1.00 21.22 H new ATOM 0 HG12 VAL A 52 -6.327 4.560 3.229 1.00 21.22 H new ATOM 0 HG13 VAL A 52 -6.320 5.000 1.505 1.00 21.22 H new ATOM 0 HG21 VAL A 52 -9.203 6.171 1.502 1.00 44.43 H new ATOM 0 HG22 VAL A 52 -8.617 5.068 0.234 1.00 44.43 H new ATOM 0 HG23 VAL A 52 -10.093 4.671 1.145 1.00 44.43 H new ATOM 827 N ILE A 53 -6.109 1.742 2.770 1.00 54.01 N ATOM 828 CA ILE A 53 -5.272 1.017 3.746 1.00 71.33 C ATOM 829 C ILE A 53 -3.935 1.750 3.903 1.00 61.21 C ATOM 830 O ILE A 53 -3.539 2.522 3.028 1.00 51.50 O ATOM 831 CB ILE A 53 -5.011 -0.489 3.330 1.00 63.11 C ATOM 832 CG1 ILE A 53 -4.243 -0.594 1.973 1.00 3.03 C ATOM 833 CG2 ILE A 53 -6.335 -1.280 3.267 1.00 75.12 C ATOM 834 CD1 ILE A 53 -3.880 -2.010 1.536 1.00 2.11 C ATOM 0 H ILE A 53 -5.625 1.950 1.896 1.00 54.01 H new ATOM 0 HA ILE A 53 -5.813 0.996 4.692 1.00 71.33 H new ATOM 0 HB ILE A 53 -4.379 -0.931 4.100 1.00 63.11 H new ATOM 0 HG12 ILE A 53 -4.852 -0.136 1.194 1.00 3.03 H new ATOM 0 HG13 ILE A 53 -3.327 -0.008 2.047 1.00 3.03 H new ATOM 0 HG21 ILE A 53 -6.130 -2.311 2.979 1.00 75.12 H new ATOM 0 HG22 ILE A 53 -6.815 -1.265 4.246 1.00 75.12 H new ATOM 0 HG23 ILE A 53 -6.997 -0.823 2.531 1.00 75.12 H new ATOM 0 HD11 ILE A 53 -3.351 -1.972 0.584 1.00 2.11 H new ATOM 0 HD12 ILE A 53 -3.240 -2.470 2.289 1.00 2.11 H new ATOM 0 HD13 ILE A 53 -4.789 -2.600 1.422 1.00 2.11 H new ATOM 846 N CYS A 54 -3.272 1.528 5.036 1.00 23.23 N ATOM 847 CA CYS A 54 -1.928 2.038 5.297 1.00 52.45 C ATOM 848 C CYS A 54 -1.040 0.860 5.712 1.00 33.41 C ATOM 849 O CYS A 54 -1.322 0.197 6.712 1.00 35.42 O ATOM 850 CB CYS A 54 -1.951 3.096 6.427 1.00 45.12 C ATOM 851 SG CYS A 54 -3.090 4.486 6.170 1.00 24.13 S ATOM 0 H CYS A 54 -3.657 0.983 5.807 1.00 23.23 H new ATOM 0 HA CYS A 54 -1.539 2.514 4.397 1.00 52.45 H new ATOM 0 HB2 CYS A 54 -2.215 2.600 7.361 1.00 45.12 H new ATOM 0 HB3 CYS A 54 -0.943 3.492 6.551 1.00 45.12 H new ATOM 856 N VAL A 55 0.005 0.574 4.933 1.00 34.11 N ATOM 857 CA VAL A 55 1.030 -0.423 5.299 1.00 21.13 C ATOM 858 C VAL A 55 2.417 0.222 5.291 1.00 20.33 C ATOM 859 O VAL A 55 2.629 1.248 4.653 1.00 30.34 O ATOM 860 CB VAL A 55 1.020 -1.689 4.363 1.00 2.32 C ATOM 861 CG1 VAL A 55 -0.285 -2.484 4.527 1.00 24.53 C ATOM 862 CG2 VAL A 55 1.268 -1.324 2.886 1.00 55.33 C ATOM 0 H VAL A 55 0.170 1.022 4.032 1.00 34.11 H new ATOM 0 HA VAL A 55 0.786 -0.770 6.303 1.00 21.13 H new ATOM 0 HB VAL A 55 1.848 -2.325 4.675 1.00 2.32 H new ATOM 0 HG11 VAL A 55 -0.267 -3.353 3.870 1.00 24.53 H new ATOM 0 HG12 VAL A 55 -0.383 -2.813 5.561 1.00 24.53 H new ATOM 0 HG13 VAL A 55 -1.132 -1.850 4.266 1.00 24.53 H new ATOM 0 HG21 VAL A 55 1.252 -2.230 2.280 1.00 55.33 H new ATOM 0 HG22 VAL A 55 0.488 -0.644 2.543 1.00 55.33 H new ATOM 0 HG23 VAL A 55 2.240 -0.840 2.789 1.00 55.33 H new ATOM 872 N ASN A 56 3.336 -0.353 6.055 1.00 52.33 N ATOM 873 CA ASN A 56 4.762 0.011 6.035 1.00 60.41 C ATOM 874 C ASN A 56 5.511 -0.924 5.059 1.00 2.32 C ATOM 875 O ASN A 56 4.960 -1.953 4.665 1.00 73.35 O ATOM 876 CB ASN A 56 5.332 -0.093 7.479 1.00 25.23 C ATOM 877 CG ASN A 56 4.768 0.965 8.439 1.00 71.10 C ATOM 878 OD1 ASN A 56 4.520 0.683 9.610 1.00 54.53 O ATOM 879 ND2 ASN A 56 4.612 2.213 7.978 1.00 33.42 N ATOM 0 H ASN A 56 3.117 -1.097 6.718 1.00 52.33 H new ATOM 0 HA ASN A 56 4.893 1.036 5.689 1.00 60.41 H new ATOM 0 HB2 ASN A 56 5.115 -1.085 7.876 1.00 25.23 H new ATOM 0 HB3 ASN A 56 6.417 0.005 7.441 1.00 25.23 H new ATOM 0 HD21 ASN A 56 4.282 2.950 8.602 1.00 33.42 H new ATOM 0 HD22 ASN A 56 4.823 2.427 7.003 1.00 33.42 H new ATOM 886 N PRO A 57 6.781 -0.602 4.641 1.00 62.24 N ATOM 887 CA PRO A 57 7.628 -1.546 3.843 1.00 24.22 C ATOM 888 C PRO A 57 7.965 -2.876 4.579 1.00 23.42 C ATOM 889 O PRO A 57 8.671 -3.725 4.024 1.00 44.22 O ATOM 890 CB PRO A 57 8.897 -0.718 3.516 1.00 13.31 C ATOM 891 CG PRO A 57 8.916 0.385 4.538 1.00 5.31 C ATOM 892 CD PRO A 57 7.463 0.709 4.819 1.00 64.22 C ATOM 0 HA PRO A 57 7.102 -1.893 2.954 1.00 24.22 H new ATOM 0 HB2 PRO A 57 9.796 -1.331 3.580 1.00 13.31 H new ATOM 0 HB3 PRO A 57 8.857 -0.317 2.503 1.00 13.31 H new ATOM 0 HG2 PRO A 57 9.429 0.068 5.446 1.00 5.31 H new ATOM 0 HG3 PRO A 57 9.446 1.259 4.161 1.00 5.31 H new ATOM 0 HD2 PRO A 57 7.326 1.101 5.827 1.00 64.22 H new ATOM 0 HD3 PRO A 57 7.077 1.460 4.130 1.00 64.22 H new ATOM 900 N ARG A 58 7.468 -3.039 5.828 1.00 12.15 N ATOM 901 CA ARG A 58 7.506 -4.321 6.560 1.00 63.44 C ATOM 902 C ARG A 58 6.535 -5.351 5.926 1.00 42.23 C ATOM 903 O ARG A 58 6.754 -6.566 6.046 1.00 64.24 O ATOM 904 CB ARG A 58 7.162 -4.087 8.067 1.00 52.20 C ATOM 905 CG ARG A 58 7.310 -5.323 9.009 1.00 31.32 C ATOM 906 CD ARG A 58 8.741 -5.918 9.022 1.00 34.50 C ATOM 907 NE ARG A 58 8.907 -6.994 10.026 1.00 11.42 N ATOM 908 CZ ARG A 58 9.703 -8.075 9.882 1.00 63.34 C ATOM 909 NH1 ARG A 58 10.412 -8.258 8.759 1.00 33.31 N ATOM 910 NH2 ARG A 58 9.799 -8.962 10.872 1.00 32.04 N ATOM 0 H ARG A 58 7.030 -2.283 6.354 1.00 12.15 H new ATOM 0 HA ARG A 58 8.514 -4.730 6.491 1.00 63.44 H new ATOM 0 HB2 ARG A 58 7.803 -3.290 8.445 1.00 52.20 H new ATOM 0 HB3 ARG A 58 6.135 -3.728 8.132 1.00 52.20 H new ATOM 0 HG2 ARG A 58 7.036 -5.033 10.023 1.00 31.32 H new ATOM 0 HG3 ARG A 58 6.606 -6.095 8.697 1.00 31.32 H new ATOM 0 HD2 ARG A 58 8.975 -6.311 8.033 1.00 34.50 H new ATOM 0 HD3 ARG A 58 9.458 -5.123 9.226 1.00 34.50 H new ATOM 0 HE ARG A 58 8.378 -6.912 10.895 1.00 11.42 H new ATOM 0 HH11 ARG A 58 10.353 -7.577 8.002 1.00 33.31 H new ATOM 0 HH12 ARG A 58 11.010 -9.078 8.661 1.00 33.31 H new ATOM 0 HH21 ARG A 58 9.272 -8.823 11.734 1.00 32.04 H new ATOM 0 HH22 ARG A 58 10.399 -9.780 10.767 1.00 32.04 H new ATOM 924 N ALA A 59 5.481 -4.856 5.239 1.00 34.50 N ATOM 925 CA ALA A 59 4.497 -5.703 4.545 1.00 61.13 C ATOM 926 C ALA A 59 5.176 -6.492 3.399 1.00 44.51 C ATOM 927 O ALA A 59 5.623 -5.902 2.413 1.00 2.53 O ATOM 928 CB ALA A 59 3.330 -4.844 4.013 1.00 1.33 C ATOM 0 H ALA A 59 5.293 -3.857 5.153 1.00 34.50 H new ATOM 0 HA ALA A 59 4.091 -6.423 5.255 1.00 61.13 H new ATOM 0 HB1 ALA A 59 2.610 -5.484 3.502 1.00 1.33 H new ATOM 0 HB2 ALA A 59 2.840 -4.340 4.846 1.00 1.33 H new ATOM 0 HB3 ALA A 59 3.714 -4.101 3.314 1.00 1.33 H new ATOM 934 N LYS A 60 5.245 -7.833 3.555 1.00 32.03 N ATOM 935 CA LYS A 60 5.977 -8.722 2.628 1.00 72.24 C ATOM 936 C LYS A 60 5.262 -8.825 1.265 1.00 53.44 C ATOM 937 O LYS A 60 5.912 -8.940 0.230 1.00 2.31 O ATOM 938 CB LYS A 60 6.166 -10.135 3.254 1.00 62.52 C ATOM 939 CG LYS A 60 7.149 -11.061 2.489 1.00 43.54 C ATOM 940 CD LYS A 60 7.244 -12.507 3.058 1.00 31.14 C ATOM 941 CE LYS A 60 7.899 -12.622 4.453 1.00 13.11 C ATOM 942 NZ LYS A 60 7.060 -12.081 5.564 1.00 73.24 N ATOM 0 H LYS A 60 4.796 -8.328 4.326 1.00 32.03 H new ATOM 0 HA LYS A 60 6.960 -8.284 2.457 1.00 72.24 H new ATOM 0 HB2 LYS A 60 6.521 -10.019 4.278 1.00 62.52 H new ATOM 0 HB3 LYS A 60 5.194 -10.626 3.308 1.00 62.52 H new ATOM 0 HG2 LYS A 60 6.841 -11.114 1.445 1.00 43.54 H new ATOM 0 HG3 LYS A 60 8.141 -10.611 2.506 1.00 43.54 H new ATOM 0 HD2 LYS A 60 6.239 -12.927 3.110 1.00 31.14 H new ATOM 0 HD3 LYS A 60 7.810 -13.120 2.357 1.00 31.14 H new ATOM 0 HE2 LYS A 60 8.119 -13.670 4.655 1.00 13.11 H new ATOM 0 HE3 LYS A 60 8.852 -12.093 4.440 1.00 13.11 H new ATOM 0 HZ1 LYS A 60 7.070 -12.747 6.362 1.00 73.24 H new ATOM 0 HZ2 LYS A 60 7.442 -11.165 5.873 1.00 73.24 H new ATOM 0 HZ3 LYS A 60 6.083 -11.954 5.231 1.00 73.24 H new ATOM 956 N TRP A 61 3.913 -8.757 1.270 1.00 32.25 N ATOM 957 CA TRP A 61 3.103 -8.852 0.033 1.00 34.42 C ATOM 958 C TRP A 61 3.364 -7.646 -0.898 1.00 31.21 C ATOM 959 O TRP A 61 3.210 -7.744 -2.114 1.00 1.10 O ATOM 960 CB TRP A 61 1.585 -8.992 0.373 1.00 63.52 C ATOM 961 CG TRP A 61 0.934 -7.779 1.029 1.00 11.04 C ATOM 962 CD1 TRP A 61 0.712 -7.580 2.363 1.00 32.24 C ATOM 963 CD2 TRP A 61 0.408 -6.615 0.366 1.00 21.11 C ATOM 964 NE1 TRP A 61 0.097 -6.371 2.565 1.00 33.53 N ATOM 965 CE2 TRP A 61 -0.092 -5.760 1.355 1.00 34.12 C ATOM 966 CE3 TRP A 61 0.327 -6.216 -0.974 1.00 35.30 C ATOM 967 CZ2 TRP A 61 -0.671 -4.533 1.047 1.00 44.23 C ATOM 968 CZ3 TRP A 61 -0.244 -5.007 -1.276 1.00 23.35 C ATOM 969 CH2 TRP A 61 -0.736 -4.175 -0.270 1.00 13.31 C ATOM 0 H TRP A 61 3.360 -8.636 2.118 1.00 32.25 H new ATOM 0 HA TRP A 61 3.408 -9.751 -0.503 1.00 34.42 H new ATOM 0 HB2 TRP A 61 1.046 -9.216 -0.547 1.00 63.52 H new ATOM 0 HB3 TRP A 61 1.458 -9.850 1.034 1.00 63.52 H new ATOM 0 HD1 TRP A 61 0.982 -8.274 3.145 1.00 32.24 H new ATOM 0 HE1 TRP A 61 -0.176 -5.989 3.471 1.00 33.53 H new ATOM 0 HE3 TRP A 61 0.709 -6.852 -1.759 1.00 35.30 H new ATOM 0 HZ2 TRP A 61 -1.056 -3.886 1.822 1.00 44.23 H new ATOM 0 HZ3 TRP A 61 -0.314 -4.694 -2.307 1.00 23.35 H new ATOM 0 HH2 TRP A 61 -1.178 -3.227 -0.538 1.00 13.31 H new ATOM 980 N LEU A 62 3.751 -6.509 -0.288 1.00 71.42 N ATOM 981 CA LEU A 62 3.990 -5.239 -0.990 1.00 70.22 C ATOM 982 C LEU A 62 5.216 -5.324 -1.927 1.00 34.00 C ATOM 983 O LEU A 62 5.215 -4.719 -3.006 1.00 31.24 O ATOM 984 CB LEU A 62 4.165 -4.106 0.054 1.00 34.31 C ATOM 985 CG LEU A 62 4.441 -2.671 -0.505 1.00 34.43 C ATOM 986 CD1 LEU A 62 3.270 -2.145 -1.359 1.00 23.03 C ATOM 987 CD2 LEU A 62 4.793 -1.689 0.623 1.00 63.30 C ATOM 0 H LEU A 62 3.908 -6.449 0.718 1.00 71.42 H new ATOM 0 HA LEU A 62 3.128 -5.021 -1.621 1.00 70.22 H new ATOM 0 HB2 LEU A 62 3.264 -4.065 0.666 1.00 34.31 H new ATOM 0 HB3 LEU A 62 4.988 -4.377 0.716 1.00 34.31 H new ATOM 0 HG LEU A 62 5.306 -2.748 -1.163 1.00 34.43 H new ATOM 0 HD11 LEU A 62 3.507 -1.146 -1.725 1.00 23.03 H new ATOM 0 HD12 LEU A 62 3.108 -2.813 -2.205 1.00 23.03 H new ATOM 0 HD13 LEU A 62 2.366 -2.104 -0.751 1.00 23.03 H new ATOM 0 HD21 LEU A 62 4.979 -0.701 0.201 1.00 63.30 H new ATOM 0 HD22 LEU A 62 3.964 -1.632 1.328 1.00 63.30 H new ATOM 0 HD23 LEU A 62 5.687 -2.036 1.142 1.00 63.30 H new ATOM 999 N GLN A 63 6.244 -6.116 -1.529 1.00 21.05 N ATOM 1000 CA GLN A 63 7.476 -6.276 -2.333 1.00 34.54 C ATOM 1001 C GLN A 63 7.165 -6.937 -3.693 1.00 32.30 C ATOM 1002 O GLN A 63 7.924 -6.775 -4.634 1.00 72.32 O ATOM 1003 CB GLN A 63 8.580 -7.053 -1.536 1.00 5.42 C ATOM 1004 CG GLN A 63 8.465 -8.605 -1.486 1.00 32.21 C ATOM 1005 CD GLN A 63 9.091 -9.336 -2.692 1.00 54.52 C ATOM 1006 OE1 GLN A 63 10.097 -8.906 -3.253 1.00 54.13 O ATOM 1007 NE2 GLN A 63 8.491 -10.435 -3.105 1.00 55.23 N ATOM 0 H GLN A 63 6.242 -6.650 -0.660 1.00 21.05 H new ATOM 0 HA GLN A 63 7.877 -5.284 -2.541 1.00 34.54 H new ATOM 0 HB2 GLN A 63 9.549 -6.800 -1.967 1.00 5.42 H new ATOM 0 HB3 GLN A 63 8.581 -6.682 -0.511 1.00 5.42 H new ATOM 0 HG2 GLN A 63 8.943 -8.962 -0.574 1.00 32.21 H new ATOM 0 HG3 GLN A 63 7.411 -8.876 -1.421 1.00 32.21 H new ATOM 0 HE21 GLN A 63 7.658 -10.773 -2.624 1.00 55.23 H new ATOM 0 HE22 GLN A 63 8.860 -10.948 -3.906 1.00 55.23 H new ATOM 1016 N ARG A 64 6.028 -7.667 -3.765 1.00 61.43 N ATOM 1017 CA ARG A 64 5.568 -8.338 -5.001 1.00 64.04 C ATOM 1018 C ARG A 64 5.106 -7.293 -6.033 1.00 42.42 C ATOM 1019 O ARG A 64 5.352 -7.421 -7.231 1.00 4.15 O ATOM 1020 CB ARG A 64 4.390 -9.310 -4.689 1.00 14.42 C ATOM 1021 CG ARG A 64 4.726 -10.458 -3.708 1.00 61.33 C ATOM 1022 CD ARG A 64 3.499 -11.337 -3.369 1.00 22.34 C ATOM 1023 NE ARG A 64 3.822 -12.375 -2.366 1.00 21.21 N ATOM 1024 CZ ARG A 64 3.461 -13.675 -2.421 1.00 4.45 C ATOM 1025 NH1 ARG A 64 2.741 -14.143 -3.446 1.00 33.21 N ATOM 1026 NH2 ARG A 64 3.831 -14.498 -1.440 1.00 2.24 N ATOM 0 H ARG A 64 5.405 -7.807 -2.969 1.00 61.43 H new ATOM 0 HA ARG A 64 6.402 -8.908 -5.410 1.00 64.04 H new ATOM 0 HB2 ARG A 64 3.563 -8.732 -4.277 1.00 14.42 H new ATOM 0 HB3 ARG A 64 4.041 -9.744 -5.626 1.00 14.42 H new ATOM 0 HG2 ARG A 64 5.506 -11.083 -4.142 1.00 61.33 H new ATOM 0 HG3 ARG A 64 5.130 -10.036 -2.788 1.00 61.33 H new ATOM 0 HD2 ARG A 64 2.694 -10.706 -2.992 1.00 22.34 H new ATOM 0 HD3 ARG A 64 3.132 -11.813 -4.278 1.00 22.34 H new ATOM 0 HE ARG A 64 4.369 -12.081 -1.557 1.00 21.21 H new ATOM 0 HH11 ARG A 64 2.458 -13.516 -4.199 1.00 33.21 H new ATOM 0 HH12 ARG A 64 2.475 -15.127 -3.475 1.00 33.21 H new ATOM 0 HH21 ARG A 64 4.381 -14.144 -0.658 1.00 2.24 H new ATOM 0 HH22 ARG A 64 3.564 -15.482 -1.472 1.00 2.24 H new ATOM 1040 N LEU A 65 4.426 -6.246 -5.522 1.00 40.24 N ATOM 1041 CA LEU A 65 3.927 -5.109 -6.325 1.00 33.13 C ATOM 1042 C LEU A 65 5.114 -4.258 -6.816 1.00 40.14 C ATOM 1043 O LEU A 65 5.144 -3.805 -7.966 1.00 52.41 O ATOM 1044 CB LEU A 65 2.949 -4.237 -5.474 1.00 24.21 C ATOM 1045 CG LEU A 65 1.433 -4.663 -5.410 1.00 22.23 C ATOM 1046 CD1 LEU A 65 0.714 -4.459 -6.768 1.00 54.52 C ATOM 1047 CD2 LEU A 65 1.233 -6.106 -4.876 1.00 13.32 C ATOM 0 H LEU A 65 4.205 -6.165 -4.529 1.00 40.24 H new ATOM 0 HA LEU A 65 3.385 -5.493 -7.190 1.00 33.13 H new ATOM 0 HB2 LEU A 65 3.330 -4.210 -4.453 1.00 24.21 H new ATOM 0 HB3 LEU A 65 2.992 -3.218 -5.858 1.00 24.21 H new ATOM 0 HG LEU A 65 0.966 -3.995 -4.686 1.00 22.23 H new ATOM 0 HD11 LEU A 65 -0.328 -4.765 -6.678 1.00 54.52 H new ATOM 0 HD12 LEU A 65 0.760 -3.407 -7.050 1.00 54.52 H new ATOM 0 HD13 LEU A 65 1.204 -5.061 -7.533 1.00 54.52 H new ATOM 0 HD21 LEU A 65 0.169 -6.342 -4.855 1.00 13.32 H new ATOM 0 HD22 LEU A 65 1.748 -6.810 -5.529 1.00 13.32 H new ATOM 0 HD23 LEU A 65 1.641 -6.181 -3.868 1.00 13.32 H new ATOM 1059 N LEU A 66 6.078 -4.051 -5.908 1.00 22.32 N ATOM 1060 CA LEU A 66 7.306 -3.283 -6.184 1.00 61.13 C ATOM 1061 C LEU A 66 8.271 -4.062 -7.113 1.00 54.45 C ATOM 1062 O LEU A 66 9.067 -3.464 -7.836 1.00 14.22 O ATOM 1063 CB LEU A 66 7.984 -2.895 -4.844 1.00 61.43 C ATOM 1064 CG LEU A 66 7.094 -2.050 -3.860 1.00 52.24 C ATOM 1065 CD1 LEU A 66 7.803 -1.815 -2.512 1.00 1.32 C ATOM 1066 CD2 LEU A 66 6.655 -0.711 -4.493 1.00 14.20 C ATOM 0 H LEU A 66 6.030 -4.413 -4.955 1.00 22.32 H new ATOM 0 HA LEU A 66 7.038 -2.371 -6.717 1.00 61.13 H new ATOM 0 HB2 LEU A 66 8.293 -3.808 -4.335 1.00 61.43 H new ATOM 0 HB3 LEU A 66 8.890 -2.330 -5.064 1.00 61.43 H new ATOM 0 HG LEU A 66 6.195 -2.634 -3.665 1.00 52.24 H new ATOM 0 HD11 LEU A 66 7.157 -1.228 -1.859 1.00 1.32 H new ATOM 0 HD12 LEU A 66 8.018 -2.775 -2.042 1.00 1.32 H new ATOM 0 HD13 LEU A 66 8.735 -1.276 -2.680 1.00 1.32 H new ATOM 0 HD21 LEU A 66 6.042 -0.156 -3.783 1.00 14.20 H new ATOM 0 HD22 LEU A 66 7.537 -0.123 -4.748 1.00 14.20 H new ATOM 0 HD23 LEU A 66 6.076 -0.908 -5.395 1.00 14.20 H new ATOM 1078 N ARG A 67 8.172 -5.409 -7.100 1.00 70.21 N ATOM 1079 CA ARG A 67 8.940 -6.290 -8.015 1.00 40.43 C ATOM 1080 C ARG A 67 8.217 -6.355 -9.374 1.00 12.23 C ATOM 1081 O ARG A 67 8.862 -6.501 -10.414 1.00 52.32 O ATOM 1082 CB ARG A 67 9.121 -7.716 -7.377 1.00 73.30 C ATOM 1083 CG ARG A 67 10.201 -8.633 -8.040 1.00 74.24 C ATOM 1084 CD ARG A 67 9.727 -9.357 -9.325 1.00 73.02 C ATOM 1085 NE ARG A 67 10.857 -9.909 -10.101 1.00 1.04 N ATOM 1086 CZ ARG A 67 11.491 -9.267 -11.101 1.00 45.02 C ATOM 1087 NH1 ARG A 67 11.124 -8.037 -11.466 1.00 43.03 N ATOM 1088 NH2 ARG A 67 12.479 -9.860 -11.752 1.00 71.21 N ATOM 0 H ARG A 67 7.562 -5.917 -6.460 1.00 70.21 H new ATOM 0 HA ARG A 67 9.938 -5.883 -8.175 1.00 40.43 H new ATOM 0 HB2 ARG A 67 9.376 -7.591 -6.324 1.00 73.30 H new ATOM 0 HB3 ARG A 67 8.162 -8.233 -7.414 1.00 73.30 H new ATOM 0 HG2 ARG A 67 11.075 -8.028 -8.280 1.00 74.24 H new ATOM 0 HG3 ARG A 67 10.520 -9.380 -7.314 1.00 74.24 H new ATOM 0 HD2 ARG A 67 9.045 -10.163 -9.056 1.00 73.02 H new ATOM 0 HD3 ARG A 67 9.166 -8.660 -9.948 1.00 73.02 H new ATOM 0 HE ARG A 67 11.181 -10.846 -9.861 1.00 1.04 H new ATOM 0 HH11 ARG A 67 10.354 -7.571 -10.986 1.00 43.03 H new ATOM 0 HH12 ARG A 67 11.613 -7.563 -12.225 1.00 43.03 H new ATOM 0 HH21 ARG A 67 12.762 -10.806 -11.497 1.00 71.21 H new ATOM 0 HH22 ARG A 67 12.957 -9.371 -12.509 1.00 71.21 H new ATOM 1102 N HIS A 68 6.877 -6.215 -9.354 1.00 74.54 N ATOM 1103 CA HIS A 68 6.038 -6.271 -10.580 1.00 21.32 C ATOM 1104 C HIS A 68 6.340 -5.081 -11.527 1.00 65.31 C ATOM 1105 O HIS A 68 6.178 -5.188 -12.746 1.00 23.24 O ATOM 1106 CB HIS A 68 4.523 -6.302 -10.207 1.00 11.40 C ATOM 1107 CG HIS A 68 3.609 -6.608 -11.369 1.00 20.45 C ATOM 1108 ND1 HIS A 68 2.990 -5.629 -12.123 1.00 15.34 N ATOM 1109 CD2 HIS A 68 3.207 -7.790 -11.902 1.00 32.15 C ATOM 1110 CE1 HIS A 68 2.270 -6.198 -13.069 1.00 74.24 C ATOM 1111 NE2 HIS A 68 2.381 -7.501 -12.954 1.00 24.22 N ATOM 0 H HIS A 68 6.344 -6.061 -8.498 1.00 74.54 H new ATOM 0 HA HIS A 68 6.286 -7.190 -11.110 1.00 21.32 H new ATOM 0 HB2 HIS A 68 4.366 -7.049 -9.429 1.00 11.40 H new ATOM 0 HB3 HIS A 68 4.244 -5.337 -9.783 1.00 11.40 H new ATOM 0 HD2 HIS A 68 3.487 -8.775 -11.559 1.00 32.15 H new ATOM 0 HE1 HIS A 68 1.686 -5.679 -13.815 1.00 74.24 H new ATOM 0 HE2 HIS A 68 1.924 -8.188 -13.553 1.00 24.22 H new ATOM 1120 N VAL A 69 6.773 -3.943 -10.943 1.00 35.35 N ATOM 1121 CA VAL A 69 7.166 -2.729 -11.713 1.00 41.42 C ATOM 1122 C VAL A 69 8.682 -2.720 -12.036 1.00 22.14 C ATOM 1123 O VAL A 69 9.173 -1.819 -12.723 1.00 41.33 O ATOM 1124 CB VAL A 69 6.756 -1.399 -10.967 1.00 53.22 C ATOM 1125 CG1 VAL A 69 5.228 -1.321 -10.769 1.00 12.13 C ATOM 1126 CG2 VAL A 69 7.495 -1.226 -9.620 1.00 24.03 C ATOM 0 H VAL A 69 6.862 -3.834 -9.933 1.00 35.35 H new ATOM 0 HA VAL A 69 6.618 -2.769 -12.654 1.00 41.42 H new ATOM 0 HB VAL A 69 7.063 -0.573 -11.608 1.00 53.22 H new ATOM 0 HG11 VAL A 69 4.975 -0.395 -10.253 1.00 12.13 H new ATOM 0 HG12 VAL A 69 4.734 -1.342 -11.740 1.00 12.13 H new ATOM 0 HG13 VAL A 69 4.894 -2.171 -10.174 1.00 12.13 H new ATOM 0 HG21 VAL A 69 7.177 -0.296 -9.148 1.00 24.03 H new ATOM 0 HG22 VAL A 69 7.259 -2.065 -8.965 1.00 24.03 H new ATOM 0 HG23 VAL A 69 8.570 -1.195 -9.796 1.00 24.03 H new ATOM 1136 N GLN A 70 9.406 -3.734 -11.529 1.00 41.41 N ATOM 1137 CA GLN A 70 10.849 -3.939 -11.804 1.00 34.25 C ATOM 1138 C GLN A 70 11.039 -4.862 -13.040 1.00 32.10 C ATOM 1139 O GLN A 70 10.133 -5.618 -13.389 1.00 61.53 O ATOM 1140 CB GLN A 70 11.522 -4.553 -10.538 1.00 33.10 C ATOM 1141 CG GLN A 70 13.059 -4.722 -10.622 1.00 54.33 C ATOM 1142 CD GLN A 70 13.823 -3.422 -10.925 1.00 72.30 C ATOM 1143 OE1 GLN A 70 13.408 -2.326 -10.540 1.00 11.54 O ATOM 1144 NE2 GLN A 70 14.935 -3.529 -11.643 1.00 3.51 N ATOM 0 H GLN A 70 9.008 -4.442 -10.912 1.00 41.41 H new ATOM 0 HA GLN A 70 11.321 -2.983 -12.031 1.00 34.25 H new ATOM 0 HB2 GLN A 70 11.289 -3.922 -9.680 1.00 33.10 H new ATOM 0 HB3 GLN A 70 11.076 -5.529 -10.346 1.00 33.10 H new ATOM 0 HG2 GLN A 70 13.420 -5.130 -9.678 1.00 54.33 H new ATOM 0 HG3 GLN A 70 13.291 -5.454 -11.395 1.00 54.33 H new ATOM 0 HE21 GLN A 70 15.258 -4.447 -11.950 1.00 3.51 H new ATOM 0 HE22 GLN A 70 15.466 -2.693 -11.888 1.00 3.51 H new ATOM 1153 N SER A 71 12.221 -4.775 -13.690 1.00 3.21 N ATOM 1154 CA SER A 71 12.598 -5.617 -14.846 1.00 44.12 C ATOM 1155 C SER A 71 12.622 -7.130 -14.499 1.00 13.35 C ATOM 1156 O SER A 71 13.170 -7.532 -13.462 1.00 14.44 O ATOM 1157 CB SER A 71 13.985 -5.170 -15.362 1.00 34.54 C ATOM 1158 OG SER A 71 13.995 -3.785 -15.669 1.00 61.24 O ATOM 0 H SER A 71 12.948 -4.111 -13.423 1.00 3.21 H new ATOM 0 HA SER A 71 11.841 -5.483 -15.619 1.00 44.12 H new ATOM 0 HB2 SER A 71 14.743 -5.384 -14.608 1.00 34.54 H new ATOM 0 HB3 SER A 71 14.248 -5.744 -16.250 1.00 34.54 H new ATOM 0 HG SER A 71 14.884 -3.528 -15.991 1.00 61.24 H new ATOM 1164 N LYS A 72 12.004 -7.958 -15.365 1.00 50.33 N ATOM 1165 CA LYS A 72 12.034 -9.442 -15.249 1.00 14.53 C ATOM 1166 C LYS A 72 12.860 -10.069 -16.388 1.00 51.22 C ATOM 1167 O LYS A 72 12.930 -11.300 -16.507 1.00 62.21 O ATOM 1168 CB LYS A 72 10.590 -10.025 -15.257 1.00 15.04 C ATOM 1169 CG LYS A 72 9.816 -9.801 -16.578 1.00 21.32 C ATOM 1170 CD LYS A 72 8.397 -10.429 -16.571 1.00 43.33 C ATOM 1171 CE LYS A 72 7.496 -9.857 -15.472 1.00 62.32 C ATOM 1172 NZ LYS A 72 6.124 -10.429 -15.503 1.00 43.30 N ATOM 0 H LYS A 72 11.469 -7.624 -16.166 1.00 50.33 H new ATOM 0 HA LYS A 72 12.509 -9.691 -14.300 1.00 14.53 H new ATOM 0 HB2 LYS A 72 10.643 -11.095 -15.058 1.00 15.04 H new ATOM 0 HB3 LYS A 72 10.026 -9.576 -14.439 1.00 15.04 H new ATOM 0 HG2 LYS A 72 9.731 -8.730 -16.764 1.00 21.32 H new ATOM 0 HG3 LYS A 72 10.389 -10.224 -17.403 1.00 21.32 H new ATOM 0 HD2 LYS A 72 7.928 -10.264 -17.541 1.00 43.33 H new ATOM 0 HD3 LYS A 72 8.483 -11.507 -16.438 1.00 43.33 H new ATOM 0 HE2 LYS A 72 7.946 -10.054 -14.499 1.00 62.32 H new ATOM 0 HE3 LYS A 72 7.437 -8.774 -15.582 1.00 62.32 H new ATOM 0 HZ1 LYS A 72 5.556 -10.009 -14.740 1.00 43.30 H new ATOM 0 HZ2 LYS A 72 5.681 -10.219 -16.420 1.00 43.30 H new ATOM 0 HZ3 LYS A 72 6.174 -11.459 -15.370 1.00 43.30 H new ATOM 1186 N SER A 73 13.482 -9.216 -17.223 1.00 30.32 N ATOM 1187 CA SER A 73 14.344 -9.667 -18.325 1.00 65.15 C ATOM 1188 C SER A 73 15.705 -10.155 -17.782 1.00 33.33 C ATOM 1189 O SER A 73 16.638 -9.363 -17.589 1.00 44.45 O ATOM 1190 CB SER A 73 14.512 -8.528 -19.362 1.00 43.35 C ATOM 1191 OG SER A 73 13.254 -8.138 -19.898 1.00 22.12 O ATOM 0 H SER A 73 13.400 -8.202 -17.152 1.00 30.32 H new ATOM 0 HA SER A 73 13.874 -10.512 -18.828 1.00 65.15 H new ATOM 0 HB2 SER A 73 14.992 -7.670 -18.891 1.00 43.35 H new ATOM 0 HB3 SER A 73 15.168 -8.858 -20.167 1.00 43.35 H new ATOM 0 HG SER A 73 13.385 -7.417 -20.549 1.00 22.12 H new ATOM 1197 N LEU A 74 15.781 -11.461 -17.482 1.00 12.01 N ATOM 1198 CA LEU A 74 17.039 -12.124 -17.088 1.00 70.00 C ATOM 1199 C LEU A 74 17.694 -12.761 -18.336 1.00 13.00 C ATOM 1200 O LEU A 74 16.997 -13.205 -19.255 1.00 54.13 O ATOM 1201 CB LEU A 74 16.805 -13.190 -15.965 1.00 74.43 C ATOM 1202 CG LEU A 74 16.677 -12.664 -14.487 1.00 64.12 C ATOM 1203 CD1 LEU A 74 15.458 -11.744 -14.293 1.00 5.34 C ATOM 1204 CD2 LEU A 74 16.650 -13.842 -13.484 1.00 2.00 C ATOM 0 H LEU A 74 14.976 -12.087 -17.505 1.00 12.01 H new ATOM 0 HA LEU A 74 17.713 -11.375 -16.672 1.00 70.00 H new ATOM 0 HB2 LEU A 74 15.896 -13.741 -16.207 1.00 74.43 H new ATOM 0 HB3 LEU A 74 17.629 -13.903 -15.999 1.00 74.43 H new ATOM 0 HG LEU A 74 17.561 -12.059 -14.287 1.00 64.12 H new ATOM 0 HD11 LEU A 74 15.416 -11.409 -13.257 1.00 5.34 H new ATOM 0 HD12 LEU A 74 15.547 -10.879 -14.950 1.00 5.34 H new ATOM 0 HD13 LEU A 74 14.547 -12.291 -14.534 1.00 5.34 H new ATOM 0 HD21 LEU A 74 16.561 -13.454 -12.469 1.00 2.00 H new ATOM 0 HD22 LEU A 74 15.798 -14.486 -13.702 1.00 2.00 H new ATOM 0 HD23 LEU A 74 17.572 -14.417 -13.573 1.00 2.00 H new ATOM 1216 N SER A 75 19.038 -12.788 -18.340 1.00 30.44 N ATOM 1217 CA SER A 75 19.848 -13.325 -19.449 1.00 42.51 C ATOM 1218 C SER A 75 19.924 -14.858 -19.357 1.00 21.31 C ATOM 1219 O SER A 75 19.947 -15.410 -18.248 1.00 23.03 O ATOM 1220 CB SER A 75 21.263 -12.691 -19.398 1.00 54.13 C ATOM 1221 OG SER A 75 21.842 -12.815 -18.108 1.00 14.34 O ATOM 0 H SER A 75 19.599 -12.434 -17.565 1.00 30.44 H new ATOM 0 HA SER A 75 19.383 -13.072 -20.402 1.00 42.51 H new ATOM 0 HB2 SER A 75 21.906 -13.173 -20.134 1.00 54.13 H new ATOM 0 HB3 SER A 75 21.201 -11.637 -19.670 1.00 54.13 H new ATOM 0 HG SER A 75 22.733 -12.408 -18.109 1.00 14.34 H new ATOM 1227 N SER A 76 19.965 -15.529 -20.526 1.00 10.22 N ATOM 1228 CA SER A 76 20.024 -16.999 -20.616 1.00 42.22 C ATOM 1229 C SER A 76 21.354 -17.524 -20.030 1.00 72.23 C ATOM 1230 O SER A 76 22.424 -17.289 -20.608 1.00 32.14 O ATOM 1231 CB SER A 76 19.851 -17.452 -22.091 1.00 12.20 C ATOM 1232 OG SER A 76 20.807 -16.840 -22.940 1.00 22.45 O ATOM 0 H SER A 76 19.958 -15.065 -21.434 1.00 10.22 H new ATOM 0 HA SER A 76 19.208 -17.420 -20.029 1.00 42.22 H new ATOM 0 HB2 SER A 76 19.949 -18.536 -22.153 1.00 12.20 H new ATOM 0 HB3 SER A 76 18.847 -17.203 -22.433 1.00 12.20 H new ATOM 0 HG SER A 76 21.695 -16.902 -22.531 1.00 22.45 H new ATOM 1238 N THR A 77 21.275 -18.189 -18.857 1.00 73.52 N ATOM 1239 CA THR A 77 22.436 -18.789 -18.190 1.00 62.40 C ATOM 1240 C THR A 77 22.941 -19.994 -19.024 1.00 54.21 C ATOM 1241 O THR A 77 22.199 -20.974 -19.180 1.00 40.24 O ATOM 1242 CB THR A 77 22.069 -19.259 -16.736 1.00 70.32 C ATOM 1243 OG1 THR A 77 21.404 -18.194 -16.035 1.00 12.33 O ATOM 1244 CG2 THR A 77 23.314 -19.694 -15.926 1.00 52.24 C ATOM 0 H THR A 77 20.400 -18.321 -18.350 1.00 73.52 H new ATOM 0 HA THR A 77 23.222 -18.038 -18.114 1.00 62.40 H new ATOM 0 HB THR A 77 21.413 -20.124 -16.834 1.00 70.32 H new ATOM 0 HG1 THR A 77 21.175 -18.491 -15.130 1.00 12.33 H new ATOM 0 HG21 THR A 77 23.007 -20.010 -14.929 1.00 52.24 H new ATOM 0 HG22 THR A 77 23.807 -20.523 -16.434 1.00 52.24 H new ATOM 0 HG23 THR A 77 24.006 -18.856 -15.844 1.00 52.24 H new ATOM 1252 N PRO A 78 24.191 -19.941 -19.590 1.00 63.30 N ATOM 1253 CA PRO A 78 24.721 -21.021 -20.459 1.00 34.13 C ATOM 1254 C PRO A 78 25.128 -22.265 -19.652 1.00 52.22 C ATOM 1255 O PRO A 78 25.119 -22.241 -18.412 1.00 75.32 O ATOM 1256 CB PRO A 78 25.939 -20.346 -21.143 1.00 2.13 C ATOM 1257 CG PRO A 78 26.435 -19.361 -20.130 1.00 2.05 C ATOM 1258 CD PRO A 78 25.194 -18.845 -19.418 1.00 4.30 C ATOM 0 HA PRO A 78 23.985 -21.397 -21.170 1.00 34.13 H new ATOM 0 HB2 PRO A 78 26.707 -21.076 -21.397 1.00 2.13 H new ATOM 0 HB3 PRO A 78 25.650 -19.851 -22.070 1.00 2.13 H new ATOM 0 HG2 PRO A 78 27.122 -19.833 -19.428 1.00 2.05 H new ATOM 0 HG3 PRO A 78 26.979 -18.547 -20.609 1.00 2.05 H new ATOM 0 HD2 PRO A 78 25.392 -18.648 -18.364 1.00 4.30 H new ATOM 0 HD3 PRO A 78 24.843 -17.911 -19.856 1.00 4.30 H new ATOM 1266 N GLN A 79 25.504 -23.337 -20.369 1.00 42.21 N ATOM 1267 CA GLN A 79 25.879 -24.620 -19.753 1.00 40.35 C ATOM 1268 C GLN A 79 27.126 -24.453 -18.865 1.00 13.34 C ATOM 1269 O GLN A 79 28.093 -23.782 -19.249 1.00 31.23 O ATOM 1270 CB GLN A 79 26.102 -25.716 -20.835 1.00 63.23 C ATOM 1271 CG GLN A 79 24.814 -26.272 -21.476 1.00 73.20 C ATOM 1272 CD GLN A 79 25.094 -27.349 -22.522 1.00 60.42 C ATOM 1273 OE1 GLN A 79 25.241 -27.059 -23.712 1.00 74.25 O ATOM 1274 NE2 GLN A 79 25.181 -28.596 -22.090 1.00 52.12 N ATOM 0 H GLN A 79 25.556 -23.339 -21.388 1.00 42.21 H new ATOM 0 HA GLN A 79 25.055 -24.946 -19.119 1.00 40.35 H new ATOM 0 HB2 GLN A 79 26.733 -25.304 -21.623 1.00 63.23 H new ATOM 0 HB3 GLN A 79 26.652 -26.543 -20.385 1.00 63.23 H new ATOM 0 HG2 GLN A 79 24.174 -26.686 -20.696 1.00 73.20 H new ATOM 0 HG3 GLN A 79 24.262 -25.455 -21.941 1.00 73.20 H new ATOM 0 HE21 GLN A 79 25.054 -28.802 -21.099 1.00 52.12 H new ATOM 0 HE22 GLN A 79 25.375 -29.351 -22.748 1.00 52.12 H new ATOM 1283 N ALA A 80 27.060 -25.048 -17.670 1.00 60.21 N ATOM 1284 CA ALA A 80 28.119 -24.965 -16.656 1.00 54.40 C ATOM 1285 C ALA A 80 29.209 -26.023 -16.941 1.00 34.34 C ATOM 1286 O ALA A 80 28.870 -27.143 -17.344 1.00 44.01 O ATOM 1287 CB ALA A 80 27.499 -25.157 -15.257 1.00 62.42 C ATOM 0 H ALA A 80 26.260 -25.608 -17.375 1.00 60.21 H new ATOM 0 HA ALA A 80 28.593 -23.984 -16.693 1.00 54.40 H new ATOM 0 HB1 ALA A 80 28.282 -25.096 -14.501 1.00 62.42 H new ATOM 0 HB2 ALA A 80 26.759 -24.377 -15.077 1.00 62.42 H new ATOM 0 HB3 ALA A 80 27.018 -26.133 -15.203 1.00 62.42 H new ATOM 1293 N PRO A 81 30.534 -25.692 -16.754 1.00 22.42 N ATOM 1294 CA PRO A 81 31.633 -26.674 -16.955 1.00 40.04 C ATOM 1295 C PRO A 81 31.544 -27.824 -15.919 1.00 61.33 C ATOM 1296 O PRO A 81 31.871 -27.634 -14.737 1.00 73.23 O ATOM 1297 CB PRO A 81 32.924 -25.814 -16.793 1.00 2.43 C ATOM 1298 CG PRO A 81 32.503 -24.630 -15.968 1.00 61.33 C ATOM 1299 CD PRO A 81 31.060 -24.348 -16.356 1.00 64.30 C ATOM 0 HA PRO A 81 31.599 -27.175 -17.922 1.00 40.04 H new ATOM 0 HB2 PRO A 81 33.714 -26.378 -16.298 1.00 2.43 H new ATOM 0 HB3 PRO A 81 33.314 -25.501 -17.762 1.00 2.43 H new ATOM 0 HG2 PRO A 81 32.587 -24.846 -14.903 1.00 61.33 H new ATOM 0 HG3 PRO A 81 33.138 -23.767 -16.169 1.00 61.33 H new ATOM 0 HD2 PRO A 81 30.496 -23.927 -15.524 1.00 64.30 H new ATOM 0 HD3 PRO A 81 30.998 -23.634 -17.177 1.00 64.30 H new ATOM 1307 N VAL A 82 31.041 -28.995 -16.379 1.00 62.25 N ATOM 1308 CA VAL A 82 30.768 -30.174 -15.524 1.00 53.20 C ATOM 1309 C VAL A 82 32.052 -30.609 -14.782 1.00 1.13 C ATOM 1310 O VAL A 82 33.005 -31.090 -15.401 1.00 32.24 O ATOM 1311 CB VAL A 82 30.144 -31.370 -16.371 1.00 24.34 C ATOM 1312 CG1 VAL A 82 30.161 -32.717 -15.602 1.00 53.45 C ATOM 1313 CG2 VAL A 82 28.691 -31.032 -16.807 1.00 25.34 C ATOM 0 H VAL A 82 30.812 -29.148 -17.361 1.00 62.25 H new ATOM 0 HA VAL A 82 30.027 -29.893 -14.776 1.00 53.20 H new ATOM 0 HB VAL A 82 30.773 -31.488 -17.254 1.00 24.34 H new ATOM 0 HG11 VAL A 82 29.724 -33.497 -16.225 1.00 53.45 H new ATOM 0 HG12 VAL A 82 31.189 -32.982 -15.356 1.00 53.45 H new ATOM 0 HG13 VAL A 82 29.582 -32.619 -14.684 1.00 53.45 H new ATOM 0 HG21 VAL A 82 28.282 -31.861 -17.384 1.00 25.34 H new ATOM 0 HG22 VAL A 82 28.075 -30.867 -15.923 1.00 25.34 H new ATOM 0 HG23 VAL A 82 28.695 -30.131 -17.420 1.00 25.34 H new ATOM 1323 N SER A 83 32.070 -30.379 -13.461 1.00 13.23 N ATOM 1324 CA SER A 83 33.225 -30.640 -12.602 1.00 14.10 C ATOM 1325 C SER A 83 32.755 -31.444 -11.384 1.00 41.34 C ATOM 1326 O SER A 83 31.780 -31.051 -10.726 1.00 74.05 O ATOM 1327 CB SER A 83 33.846 -29.294 -12.162 1.00 73.00 C ATOM 1328 OG SER A 83 34.972 -29.473 -11.312 1.00 74.43 O ATOM 0 H SER A 83 31.269 -30.001 -12.956 1.00 13.23 H new ATOM 0 HA SER A 83 33.982 -31.212 -13.138 1.00 14.10 H new ATOM 0 HB2 SER A 83 34.146 -28.729 -13.044 1.00 73.00 H new ATOM 0 HB3 SER A 83 33.093 -28.701 -11.644 1.00 73.00 H new ATOM 0 HG SER A 83 35.334 -28.598 -11.060 1.00 74.43 H new ATOM 1334 N LYS A 84 33.423 -32.579 -11.110 1.00 34.21 N ATOM 1335 CA LYS A 84 33.112 -33.417 -9.943 1.00 24.42 C ATOM 1336 C LYS A 84 33.462 -32.666 -8.642 1.00 44.30 C ATOM 1337 O LYS A 84 34.525 -32.041 -8.540 1.00 1.22 O ATOM 1338 CB LYS A 84 33.826 -34.807 -10.010 1.00 61.34 C ATOM 1339 CG LYS A 84 35.385 -34.807 -9.998 1.00 22.31 C ATOM 1340 CD LYS A 84 36.065 -34.472 -11.353 1.00 41.23 C ATOM 1341 CE LYS A 84 36.010 -35.618 -12.393 1.00 62.22 C ATOM 1342 NZ LYS A 84 34.638 -35.875 -12.924 1.00 51.00 N ATOM 0 H LYS A 84 34.185 -32.936 -11.686 1.00 34.21 H new ATOM 0 HA LYS A 84 32.041 -33.618 -9.951 1.00 24.42 H new ATOM 0 HB2 LYS A 84 33.481 -35.405 -9.166 1.00 61.34 H new ATOM 0 HB3 LYS A 84 33.495 -35.314 -10.916 1.00 61.34 H new ATOM 0 HG2 LYS A 84 35.725 -34.087 -9.253 1.00 22.31 H new ATOM 0 HG3 LYS A 84 35.728 -35.789 -9.672 1.00 22.31 H new ATOM 0 HD2 LYS A 84 35.588 -33.589 -11.777 1.00 41.23 H new ATOM 0 HD3 LYS A 84 37.108 -34.214 -11.169 1.00 41.23 H new ATOM 0 HE2 LYS A 84 36.673 -35.376 -13.224 1.00 62.22 H new ATOM 0 HE3 LYS A 84 36.391 -36.531 -11.936 1.00 62.22 H new ATOM 0 HZ1 LYS A 84 34.703 -36.201 -13.909 1.00 51.00 H new ATOM 0 HZ2 LYS A 84 34.174 -36.605 -12.347 1.00 51.00 H new ATOM 0 HZ3 LYS A 84 34.081 -34.998 -12.886 1.00 51.00 H new ATOM 1356 N ARG A 85 32.532 -32.687 -7.677 1.00 74.43 N ATOM 1357 CA ARG A 85 32.714 -32.049 -6.366 1.00 62.14 C ATOM 1358 C ARG A 85 32.870 -33.133 -5.285 1.00 64.23 C ATOM 1359 O ARG A 85 31.892 -33.789 -4.906 1.00 62.35 O ATOM 1360 CB ARG A 85 31.509 -31.107 -6.049 1.00 31.43 C ATOM 1361 CG ARG A 85 31.591 -30.360 -4.688 1.00 25.25 C ATOM 1362 CD ARG A 85 32.815 -29.438 -4.566 1.00 20.52 C ATOM 1363 NE ARG A 85 32.873 -28.776 -3.252 1.00 62.42 N ATOM 1364 CZ ARG A 85 33.979 -28.242 -2.706 1.00 15.54 C ATOM 1365 NH1 ARG A 85 35.146 -28.276 -3.359 1.00 20.15 N ATOM 1366 NH2 ARG A 85 33.913 -27.675 -1.505 1.00 33.11 N ATOM 0 H ARG A 85 31.629 -33.149 -7.784 1.00 74.43 H new ATOM 0 HA ARG A 85 33.618 -31.439 -6.381 1.00 62.14 H new ATOM 0 HB2 ARG A 85 31.427 -30.368 -6.846 1.00 31.43 H new ATOM 0 HB3 ARG A 85 30.593 -31.697 -6.066 1.00 31.43 H new ATOM 0 HG2 ARG A 85 30.686 -29.768 -4.552 1.00 25.25 H new ATOM 0 HG3 ARG A 85 31.617 -31.093 -3.882 1.00 25.25 H new ATOM 0 HD2 ARG A 85 33.724 -30.019 -4.721 1.00 20.52 H new ATOM 0 HD3 ARG A 85 32.781 -28.683 -5.352 1.00 20.52 H new ATOM 0 HE ARG A 85 32.008 -28.718 -2.715 1.00 62.42 H new ATOM 0 HH11 ARG A 85 35.202 -28.710 -4.280 1.00 20.15 H new ATOM 0 HH12 ARG A 85 35.979 -27.868 -2.936 1.00 20.15 H new ATOM 0 HH21 ARG A 85 33.026 -27.647 -1.002 1.00 33.11 H new ATOM 0 HH22 ARG A 85 34.750 -27.268 -1.086 1.00 33.11 H new ATOM 1380 N ARG A 86 34.119 -33.361 -4.841 1.00 41.40 N ATOM 1381 CA ARG A 86 34.405 -34.211 -3.679 1.00 71.13 C ATOM 1382 C ARG A 86 34.213 -33.380 -2.403 1.00 15.51 C ATOM 1383 O ARG A 86 34.982 -32.452 -2.127 1.00 43.43 O ATOM 1384 CB ARG A 86 35.841 -34.803 -3.763 1.00 21.31 C ATOM 1385 CG ARG A 86 36.248 -35.663 -2.540 1.00 61.21 C ATOM 1386 CD ARG A 86 37.664 -36.258 -2.671 1.00 12.12 C ATOM 1387 NE ARG A 86 37.768 -37.219 -3.789 1.00 72.33 N ATOM 1388 CZ ARG A 86 38.879 -37.464 -4.515 1.00 3.24 C ATOM 1389 NH1 ARG A 86 40.027 -36.814 -4.270 1.00 32.43 N ATOM 1390 NH2 ARG A 86 38.830 -38.363 -5.493 1.00 44.24 N ATOM 0 H ARG A 86 34.951 -32.963 -5.276 1.00 41.40 H new ATOM 0 HA ARG A 86 33.716 -35.056 -3.663 1.00 71.13 H new ATOM 0 HB2 ARG A 86 35.918 -35.413 -4.663 1.00 21.31 H new ATOM 0 HB3 ARG A 86 36.553 -33.985 -3.870 1.00 21.31 H new ATOM 0 HG2 ARG A 86 36.198 -35.051 -1.639 1.00 61.21 H new ATOM 0 HG3 ARG A 86 35.529 -36.473 -2.416 1.00 61.21 H new ATOM 0 HD2 ARG A 86 38.382 -35.452 -2.820 1.00 12.12 H new ATOM 0 HD3 ARG A 86 37.934 -36.757 -1.740 1.00 12.12 H new ATOM 0 HE ARG A 86 36.927 -37.742 -4.033 1.00 72.33 H new ATOM 0 HH11 ARG A 86 40.071 -36.120 -3.524 1.00 32.43 H new ATOM 0 HH12 ARG A 86 40.856 -37.014 -4.830 1.00 32.43 H new ATOM 0 HH21 ARG A 86 37.960 -38.858 -5.687 1.00 44.24 H new ATOM 0 HH22 ARG A 86 39.663 -38.557 -6.049 1.00 44.24 H new ATOM 1404 N ALA A 87 33.132 -33.681 -1.669 1.00 32.05 N ATOM 1405 CA ALA A 87 32.854 -33.064 -0.366 1.00 24.50 C ATOM 1406 C ALA A 87 33.675 -33.754 0.733 1.00 22.44 C ATOM 1407 O ALA A 87 34.170 -34.874 0.545 1.00 0.41 O ATOM 1408 CB ALA A 87 31.349 -33.132 -0.056 1.00 5.42 C ATOM 0 H ALA A 87 32.428 -34.358 -1.962 1.00 32.05 H new ATOM 0 HA ALA A 87 33.146 -32.014 -0.400 1.00 24.50 H new ATOM 0 HB1 ALA A 87 31.156 -32.671 0.913 1.00 5.42 H new ATOM 0 HB2 ALA A 87 30.794 -32.599 -0.828 1.00 5.42 H new ATOM 0 HB3 ALA A 87 31.029 -34.174 -0.033 1.00 5.42 H new ATOM 1414 N ALA A 88 33.816 -33.063 1.869 1.00 11.31 N ATOM 1415 CA ALA A 88 34.555 -33.557 3.039 1.00 54.30 C ATOM 1416 C ALA A 88 33.875 -33.039 4.326 1.00 4.45 C ATOM 1417 O ALA A 88 33.304 -33.849 5.084 1.00 73.03 O ATOM 1418 CB ALA A 88 36.037 -33.130 2.961 1.00 73.52 C ATOM 1419 OXT ALA A 88 33.863 -31.809 4.541 1.00 37.96 O ATOM 0 H ALA A 88 33.416 -32.134 2.005 1.00 11.31 H new ATOM 0 HA ALA A 88 34.536 -34.647 3.055 1.00 54.30 H new ATOM 0 HB1 ALA A 88 36.570 -33.504 3.835 1.00 73.52 H new ATOM 0 HB2 ALA A 88 36.487 -33.542 2.058 1.00 73.52 H new ATOM 0 HB3 ALA A 88 36.101 -32.042 2.935 1.00 73.52 H new TER 1425 ALA A 88