USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot -80:sc= 0.943 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.796 X(o=1.7,f=2.1) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= -0.0386 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -140:sc= 0.105 (180deg=0) USER MOD Set 3.1: A 18 CYS SG : rot 29:sc= 0.197 USER MOD Set 3.2: A 55 HIS : no HD1:sc= -0.0695 X(o=0.98,f=0.74) USER MOD Set 3.3: A 93 CYS SG : rot 122:sc= 0.148 USER MOD Set 3.4: A 95 CYS SG : rot -132:sc= 0.706! USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.28) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc=-0.00795 (180deg=-0.146) USER MOD Single : A 16 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= -0.231 (180deg=-2.71!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 45:sc= -1.55! USER MOD Single : A 57 ASN : amide:sc= 0.992 K(o=0.99,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= 0 (180deg=-0.746) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0.756) USER MOD Single : A 76 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.78) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= -0.0144 (180deg=-0.191) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.028) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.369 K(o=-0.37,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.804 -4.233 0.647 1.00 34.44 N ATOM 60 CA ILE A 5 -5.848 -4.362 1.654 1.00 70.12 C ATOM 61 C ILE A 5 -6.685 -5.597 1.368 1.00 31.10 C ATOM 62 O ILE A 5 -7.270 -6.191 2.272 1.00 42.12 O ATOM 63 CB ILE A 5 -6.768 -3.115 1.688 1.00 71.43 C ATOM 64 CG1 ILE A 5 -7.569 -3.074 2.984 1.00 34.14 C ATOM 65 CG2 ILE A 5 -7.724 -3.111 0.501 1.00 51.31 C ATOM 66 CD1 ILE A 5 -6.716 -3.181 4.218 1.00 64.33 C ATOM 0 HA ILE A 5 -5.363 -4.453 2.626 1.00 70.12 H new ATOM 0 HB ILE A 5 -6.131 -2.232 1.632 1.00 71.43 H new ATOM 0 HG12 ILE A 5 -8.136 -2.144 3.023 1.00 34.14 H new ATOM 0 HG13 ILE A 5 -8.293 -3.888 2.980 1.00 34.14 H new ATOM 0 HG21 ILE A 5 -8.359 -2.226 0.548 1.00 51.31 H new ATOM 0 HG22 ILE A 5 -7.152 -3.099 -0.427 1.00 51.31 H new ATOM 0 HG23 ILE A 5 -8.346 -4.006 0.532 1.00 51.31 H new ATOM 0 HD11 ILE A 5 -7.351 -3.145 5.103 1.00 64.33 H new ATOM 0 HD12 ILE A 5 -6.169 -4.124 4.202 1.00 64.33 H new ATOM 0 HD13 ILE A 5 -6.009 -2.352 4.245 1.00 64.33 H new ATOM 78 N GLU A 6 -6.715 -5.979 0.099 1.00 62.34 N ATOM 79 CA GLU A 6 -7.487 -7.123 -0.340 1.00 44.41 C ATOM 80 C GLU A 6 -6.974 -8.373 0.345 1.00 11.10 C ATOM 81 O GLU A 6 -7.749 -9.213 0.782 1.00 43.22 O ATOM 82 CB GLU A 6 -7.418 -7.281 -1.862 1.00 33.24 C ATOM 83 CG GLU A 6 -7.797 -6.022 -2.628 1.00 74.50 C ATOM 84 CD GLU A 6 -6.604 -5.121 -2.911 1.00 75.41 C ATOM 85 OE1 GLU A 6 -6.193 -4.354 -2.009 1.00 0.14 O ATOM 86 OE2 GLU A 6 -6.066 -5.182 -4.037 1.00 11.20 O ATOM 0 H GLU A 6 -6.207 -5.505 -0.648 1.00 62.34 H new ATOM 0 HA GLU A 6 -8.531 -6.965 -0.069 1.00 44.41 H new ATOM 0 HB2 GLU A 6 -6.406 -7.575 -2.142 1.00 33.24 H new ATOM 0 HB3 GLU A 6 -8.080 -8.092 -2.164 1.00 33.24 H new ATOM 0 HG2 GLU A 6 -8.265 -6.303 -3.571 1.00 74.50 H new ATOM 0 HG3 GLU A 6 -8.540 -5.465 -2.057 1.00 74.50 H new ATOM 93 N HIS A 7 -5.660 -8.471 0.462 1.00 14.43 N ATOM 94 CA HIS A 7 -5.051 -9.558 1.206 1.00 45.04 C ATOM 95 C HIS A 7 -5.502 -9.518 2.656 1.00 44.25 C ATOM 96 O HIS A 7 -5.974 -10.517 3.187 1.00 33.34 O ATOM 97 CB HIS A 7 -3.523 -9.488 1.129 1.00 73.11 C ATOM 98 CG HIS A 7 -2.957 -10.118 -0.104 1.00 45.31 C ATOM 99 ND1 HIS A 7 -2.719 -9.442 -1.280 1.00 42.42 N ATOM 100 CD2 HIS A 7 -2.568 -11.398 -0.324 1.00 2.43 C ATOM 101 CE1 HIS A 7 -2.208 -10.311 -2.158 1.00 24.10 C ATOM 102 NE2 HIS A 7 -2.094 -11.512 -1.627 1.00 34.21 N ATOM 0 H HIS A 7 -4.997 -7.813 0.052 1.00 14.43 H new ATOM 0 HA HIS A 7 -5.373 -10.498 0.758 1.00 45.04 H new ATOM 0 HB2 HIS A 7 -3.213 -8.444 1.169 1.00 73.11 H new ATOM 0 HB3 HIS A 7 -3.100 -9.980 2.005 1.00 73.11 H new ATOM 0 HD2 HIS A 7 -2.618 -12.201 0.397 1.00 2.43 H new ATOM 0 HE1 HIS A 7 -1.926 -10.062 -3.170 1.00 24.10 H new ATOM 0 HE2 HIS A 7 -1.733 -12.352 -2.079 1.00 34.21 H new ATOM 110 N LYS A 8 -5.395 -8.345 3.270 1.00 14.55 N ATOM 111 CA LYS A 8 -5.704 -8.184 4.688 1.00 44.25 C ATOM 112 C LYS A 8 -7.139 -8.591 4.989 1.00 53.31 C ATOM 113 O LYS A 8 -7.391 -9.375 5.905 1.00 35.32 O ATOM 114 CB LYS A 8 -5.508 -6.731 5.127 1.00 0.23 C ATOM 115 CG LYS A 8 -4.279 -6.057 4.548 1.00 30.51 C ATOM 116 CD LYS A 8 -3.009 -6.815 4.876 1.00 13.15 C ATOM 117 CE LYS A 8 -1.794 -6.106 4.312 1.00 22.34 C ATOM 118 NZ LYS A 8 -0.540 -6.863 4.570 1.00 13.02 N ATOM 0 H LYS A 8 -5.095 -7.487 2.806 1.00 14.55 H new ATOM 0 HA LYS A 8 -5.021 -8.831 5.239 1.00 44.25 H new ATOM 0 HB2 LYS A 8 -6.390 -6.157 4.842 1.00 0.23 H new ATOM 0 HB3 LYS A 8 -5.445 -6.699 6.215 1.00 0.23 H new ATOM 0 HG2 LYS A 8 -4.385 -5.978 3.466 1.00 30.51 H new ATOM 0 HG3 LYS A 8 -4.206 -5.041 4.936 1.00 30.51 H new ATOM 0 HD2 LYS A 8 -2.908 -6.913 5.957 1.00 13.15 H new ATOM 0 HD3 LYS A 8 -3.068 -7.824 4.468 1.00 13.15 H new ATOM 0 HE2 LYS A 8 -1.920 -5.968 3.238 1.00 22.34 H new ATOM 0 HE3 LYS A 8 -1.716 -5.113 4.754 1.00 22.34 H new ATOM 0 HZ1 LYS A 8 0.267 -6.345 4.169 1.00 13.02 H new ATOM 0 HZ2 LYS A 8 -0.406 -6.973 5.595 1.00 13.02 H new ATOM 0 HZ3 LYS A 8 -0.604 -7.802 4.127 1.00 13.02 H new ATOM 132 N VAL A 9 -8.074 -8.052 4.216 1.00 2.31 N ATOM 133 CA VAL A 9 -9.486 -8.307 4.447 1.00 70.23 C ATOM 134 C VAL A 9 -9.827 -9.788 4.268 1.00 14.33 C ATOM 135 O VAL A 9 -10.598 -10.346 5.049 1.00 24.32 O ATOM 136 CB VAL A 9 -10.390 -7.430 3.550 1.00 0.23 C ATOM 137 CG1 VAL A 9 -10.114 -7.652 2.075 1.00 44.30 C ATOM 138 CG2 VAL A 9 -11.857 -7.677 3.857 1.00 72.52 C ATOM 0 H VAL A 9 -7.878 -7.437 3.426 1.00 2.31 H new ATOM 0 HA VAL A 9 -9.685 -8.034 5.483 1.00 70.23 H new ATOM 0 HB VAL A 9 -10.154 -6.390 3.776 1.00 0.23 H new ATOM 0 HG11 VAL A 9 -10.771 -7.016 1.482 1.00 44.30 H new ATOM 0 HG12 VAL A 9 -9.075 -7.403 1.858 1.00 44.30 H new ATOM 0 HG13 VAL A 9 -10.297 -8.697 1.824 1.00 44.30 H new ATOM 0 HG21 VAL A 9 -12.474 -7.049 3.214 1.00 72.52 H new ATOM 0 HG22 VAL A 9 -12.095 -8.725 3.677 1.00 72.52 H new ATOM 0 HG23 VAL A 9 -12.056 -7.434 4.901 1.00 72.52 H new ATOM 148 N TYR A 10 -9.233 -10.439 3.271 1.00 51.22 N ATOM 149 CA TYR A 10 -9.486 -11.860 3.063 1.00 54.33 C ATOM 150 C TYR A 10 -8.862 -12.665 4.195 1.00 11.31 C ATOM 151 O TYR A 10 -9.403 -13.684 4.609 1.00 71.50 O ATOM 152 CB TYR A 10 -8.925 -12.359 1.723 1.00 34.55 C ATOM 153 CG TYR A 10 -9.414 -11.608 0.497 1.00 21.33 C ATOM 154 CD1 TYR A 10 -10.564 -10.826 0.530 1.00 71.44 C ATOM 155 CD2 TYR A 10 -8.706 -11.676 -0.697 1.00 20.11 C ATOM 156 CE1 TYR A 10 -10.994 -10.137 -0.589 1.00 54.21 C ATOM 157 CE2 TYR A 10 -9.128 -10.988 -1.819 1.00 1.04 C ATOM 158 CZ TYR A 10 -10.272 -10.220 -1.760 1.00 2.12 C ATOM 159 OH TYR A 10 -10.692 -9.528 -2.874 1.00 61.01 O ATOM 0 H TYR A 10 -8.586 -10.015 2.607 1.00 51.22 H new ATOM 0 HA TYR A 10 -10.567 -11.998 3.047 1.00 54.33 H new ATOM 0 HB2 TYR A 10 -7.837 -12.297 1.757 1.00 34.55 H new ATOM 0 HB3 TYR A 10 -9.181 -13.412 1.610 1.00 34.55 H new ATOM 0 HD1 TYR A 10 -11.131 -10.756 1.446 1.00 71.44 H new ATOM 0 HD2 TYR A 10 -7.810 -12.277 -0.749 1.00 20.11 H new ATOM 0 HE1 TYR A 10 -11.891 -9.537 -0.546 1.00 54.21 H new ATOM 0 HE2 TYR A 10 -8.564 -11.052 -2.738 1.00 1.04 H new ATOM 0 HH TYR A 10 -10.072 -9.693 -3.615 1.00 61.01 H new ATOM 169 N GLN A 11 -7.738 -12.170 4.712 1.00 31.14 N ATOM 170 CA GLN A 11 -6.969 -12.888 5.731 1.00 52.23 C ATOM 171 C GLN A 11 -7.803 -13.188 6.965 1.00 24.14 C ATOM 172 O GLN A 11 -7.833 -14.320 7.445 1.00 44.51 O ATOM 173 CB GLN A 11 -5.720 -12.107 6.147 1.00 31.24 C ATOM 174 CG GLN A 11 -4.588 -12.158 5.135 1.00 42.25 C ATOM 175 CD GLN A 11 -4.114 -13.570 4.850 1.00 43.02 C ATOM 176 OE1 GLN A 11 -3.238 -14.089 5.538 1.00 22.02 O ATOM 177 NE2 GLN A 11 -4.670 -14.193 3.823 1.00 42.41 N ATOM 0 H GLN A 11 -7.338 -11.272 4.442 1.00 31.14 H new ATOM 0 HA GLN A 11 -6.666 -13.831 5.275 1.00 52.23 H new ATOM 0 HB2 GLN A 11 -5.995 -11.066 6.315 1.00 31.24 H new ATOM 0 HB3 GLN A 11 -5.360 -12.499 7.098 1.00 31.24 H new ATOM 0 HG2 GLN A 11 -4.918 -11.696 4.204 1.00 42.25 H new ATOM 0 HG3 GLN A 11 -3.750 -11.567 5.504 1.00 42.25 H new ATOM 0 HE21 GLN A 11 -5.395 -13.728 3.276 1.00 42.41 H new ATOM 0 HE22 GLN A 11 -4.374 -15.138 3.579 1.00 42.41 H new ATOM 186 N LEU A 12 -8.478 -12.175 7.474 1.00 20.23 N ATOM 187 CA LEU A 12 -9.236 -12.325 8.704 1.00 3.25 C ATOM 188 C LEU A 12 -10.660 -12.783 8.437 1.00 54.51 C ATOM 189 O LEU A 12 -11.157 -13.673 9.113 1.00 3.21 O ATOM 190 CB LEU A 12 -9.208 -11.032 9.531 1.00 22.22 C ATOM 191 CG LEU A 12 -8.907 -9.738 8.764 1.00 42.53 C ATOM 192 CD1 LEU A 12 -10.141 -9.230 8.036 1.00 71.34 C ATOM 193 CD2 LEU A 12 -8.376 -8.675 9.713 1.00 22.31 C ATOM 0 H LEU A 12 -8.518 -11.244 7.059 1.00 20.23 H new ATOM 0 HA LEU A 12 -8.754 -13.107 9.291 1.00 3.25 H new ATOM 0 HB2 LEU A 12 -10.174 -10.920 10.023 1.00 22.22 H new ATOM 0 HB3 LEU A 12 -8.461 -11.145 10.317 1.00 22.22 H new ATOM 0 HG LEU A 12 -8.144 -9.958 8.017 1.00 42.53 H new ATOM 0 HD11 LEU A 12 -9.896 -8.312 7.502 1.00 71.34 H new ATOM 0 HD12 LEU A 12 -10.480 -9.984 7.326 1.00 71.34 H new ATOM 0 HD13 LEU A 12 -10.933 -9.029 8.758 1.00 71.34 H new ATOM 0 HD21 LEU A 12 -8.166 -7.762 9.156 1.00 22.31 H new ATOM 0 HD22 LEU A 12 -9.121 -8.468 10.481 1.00 22.31 H new ATOM 0 HD23 LEU A 12 -7.459 -9.032 10.183 1.00 22.31 H new ATOM 205 N LEU A 13 -11.305 -12.207 7.436 1.00 63.23 N ATOM 206 CA LEU A 13 -12.705 -12.528 7.155 1.00 75.53 C ATOM 207 C LEU A 13 -12.914 -14.000 6.832 1.00 34.40 C ATOM 208 O LEU A 13 -13.854 -14.618 7.337 1.00 4.35 O ATOM 209 CB LEU A 13 -13.251 -11.680 6.015 1.00 72.12 C ATOM 210 CG LEU A 13 -13.468 -10.210 6.347 1.00 13.53 C ATOM 211 CD1 LEU A 13 -14.284 -9.552 5.252 1.00 64.31 C ATOM 212 CD2 LEU A 13 -14.152 -10.067 7.693 1.00 63.24 C ATOM 0 H LEU A 13 -10.891 -11.520 6.806 1.00 63.23 H new ATOM 0 HA LEU A 13 -13.253 -12.301 8.070 1.00 75.53 H new ATOM 0 HB2 LEU A 13 -12.564 -11.748 5.172 1.00 72.12 H new ATOM 0 HB3 LEU A 13 -14.200 -12.106 5.688 1.00 72.12 H new ATOM 0 HG LEU A 13 -12.501 -9.711 6.407 1.00 13.53 H new ATOM 0 HD11 LEU A 13 -14.437 -8.500 5.494 1.00 64.31 H new ATOM 0 HD12 LEU A 13 -13.753 -9.633 4.304 1.00 64.31 H new ATOM 0 HD13 LEU A 13 -15.250 -10.049 5.170 1.00 64.31 H new ATOM 0 HD21 LEU A 13 -14.300 -9.010 7.916 1.00 63.24 H new ATOM 0 HD22 LEU A 13 -15.118 -10.571 7.665 1.00 63.24 H new ATOM 0 HD23 LEU A 13 -13.530 -10.517 8.467 1.00 63.24 H new ATOM 224 N LYS A 14 -12.060 -14.559 5.989 1.00 14.05 N ATOM 225 CA LYS A 14 -12.187 -15.966 5.625 1.00 73.53 C ATOM 226 C LYS A 14 -11.845 -16.853 6.821 1.00 0.33 C ATOM 227 O LYS A 14 -12.318 -17.983 6.924 1.00 1.13 O ATOM 228 CB LYS A 14 -11.310 -16.311 4.413 1.00 4.42 C ATOM 229 CG LYS A 14 -9.856 -16.615 4.739 1.00 70.01 C ATOM 230 CD LYS A 14 -9.068 -16.889 3.471 1.00 4.23 C ATOM 231 CE LYS A 14 -7.613 -17.206 3.766 1.00 2.04 C ATOM 232 NZ LYS A 14 -7.458 -18.450 4.565 1.00 54.13 N ATOM 0 H LYS A 14 -11.281 -14.070 5.548 1.00 14.05 H new ATOM 0 HA LYS A 14 -13.222 -16.153 5.340 1.00 73.53 H new ATOM 0 HB2 LYS A 14 -11.741 -17.174 3.905 1.00 4.42 H new ATOM 0 HB3 LYS A 14 -11.343 -15.478 3.711 1.00 4.42 H new ATOM 0 HG2 LYS A 14 -9.414 -15.774 5.273 1.00 70.01 H new ATOM 0 HG3 LYS A 14 -9.800 -17.478 5.402 1.00 70.01 H new ATOM 0 HD2 LYS A 14 -9.520 -17.724 2.936 1.00 4.23 H new ATOM 0 HD3 LYS A 14 -9.124 -16.021 2.814 1.00 4.23 H new ATOM 0 HE2 LYS A 14 -7.068 -17.309 2.827 1.00 2.04 H new ATOM 0 HE3 LYS A 14 -7.164 -16.372 4.305 1.00 2.04 H new ATOM 0 HZ1 LYS A 14 -6.456 -18.728 4.584 1.00 54.13 H new ATOM 0 HZ2 LYS A 14 -7.789 -18.282 5.536 1.00 54.13 H new ATOM 0 HZ3 LYS A 14 -8.020 -19.212 4.134 1.00 54.13 H new ATOM 246 N ASP A 15 -11.050 -16.308 7.735 1.00 60.23 N ATOM 247 CA ASP A 15 -10.664 -17.012 8.952 1.00 4.23 C ATOM 248 C ASP A 15 -11.825 -17.029 9.939 1.00 54.24 C ATOM 249 O ASP A 15 -12.017 -17.989 10.685 1.00 40.14 O ATOM 250 CB ASP A 15 -9.459 -16.322 9.585 1.00 45.02 C ATOM 251 CG ASP A 15 -8.802 -17.155 10.665 1.00 50.21 C ATOM 252 OD1 ASP A 15 -9.191 -17.032 11.846 1.00 41.10 O ATOM 253 OD2 ASP A 15 -7.873 -17.922 10.341 1.00 13.25 O ATOM 0 H ASP A 15 -10.657 -15.370 7.654 1.00 60.23 H new ATOM 0 HA ASP A 15 -10.401 -18.039 8.699 1.00 4.23 H new ATOM 0 HB2 ASP A 15 -8.726 -16.098 8.810 1.00 45.02 H new ATOM 0 HB3 ASP A 15 -9.774 -15.369 10.010 1.00 45.02 H new ATOM 258 N GLN A 16 -12.599 -15.945 9.932 1.00 70.22 N ATOM 259 CA GLN A 16 -13.787 -15.830 10.781 1.00 4.31 C ATOM 260 C GLN A 16 -14.901 -16.729 10.264 1.00 12.32 C ATOM 261 O GLN A 16 -15.930 -16.908 10.915 1.00 63.12 O ATOM 262 CB GLN A 16 -14.299 -14.385 10.833 1.00 74.32 C ATOM 263 CG GLN A 16 -13.230 -13.357 11.104 1.00 62.13 C ATOM 264 CD GLN A 16 -13.748 -12.180 11.901 1.00 43.24 C ATOM 265 OE1 GLN A 16 -14.624 -12.319 12.754 1.00 71.34 O ATOM 266 NE2 GLN A 16 -13.235 -11.010 11.591 1.00 12.32 N ATOM 0 H GLN A 16 -12.425 -15.129 9.345 1.00 70.22 H new ATOM 0 HA GLN A 16 -13.498 -16.140 11.785 1.00 4.31 H new ATOM 0 HB2 GLN A 16 -14.782 -14.149 9.885 1.00 74.32 H new ATOM 0 HB3 GLN A 16 -15.063 -14.310 11.607 1.00 74.32 H new ATOM 0 HG2 GLN A 16 -12.409 -13.826 11.646 1.00 62.13 H new ATOM 0 HG3 GLN A 16 -12.825 -13.000 10.157 1.00 62.13 H new ATOM 0 HE21 GLN A 16 -12.510 -10.944 10.877 1.00 12.32 H new ATOM 0 HE22 GLN A 16 -13.562 -10.168 12.065 1.00 12.32 H new ATOM 275 N GLY A 17 -14.696 -17.276 9.079 1.00 21.31 N ATOM 276 CA GLY A 17 -15.686 -18.138 8.487 1.00 11.11 C ATOM 277 C GLY A 17 -16.583 -17.392 7.527 1.00 72.24 C ATOM 278 O GLY A 17 -17.746 -17.746 7.348 1.00 65.42 O ATOM 0 H GLY A 17 -13.857 -17.136 8.516 1.00 21.31 H new ATOM 0 HA2 GLY A 17 -15.189 -18.953 7.960 1.00 11.11 H new ATOM 0 HA3 GLY A 17 -16.291 -18.589 9.273 1.00 11.11 H new ATOM 282 N CYS A 18 -16.064 -16.329 6.934 1.00 75.41 N ATOM 283 CA CYS A 18 -16.803 -15.625 5.901 1.00 73.50 C ATOM 284 C CYS A 18 -16.179 -15.888 4.540 1.00 20.22 C ATOM 285 O CYS A 18 -14.960 -15.956 4.417 1.00 25.35 O ATOM 286 CB CYS A 18 -16.825 -14.118 6.167 1.00 63.30 C ATOM 287 SG CYS A 18 -18.180 -13.257 5.305 1.00 64.30 S ATOM 0 H CYS A 18 -15.146 -15.939 7.147 1.00 75.41 H new ATOM 0 HA CYS A 18 -17.828 -15.995 5.913 1.00 73.50 H new ATOM 0 HB2 CYS A 18 -16.918 -13.946 7.239 1.00 63.30 H new ATOM 0 HB3 CYS A 18 -15.873 -13.687 5.856 1.00 63.30 H new ATOM 0 HG CYS A 18 -19.180 -14.072 5.144 1.00 64.30 H new ATOM 292 N GLU A 19 -17.009 -16.065 3.524 1.00 1.13 N ATOM 293 CA GLU A 19 -16.503 -16.182 2.155 1.00 70.32 C ATOM 294 C GLU A 19 -17.190 -15.182 1.227 1.00 5.24 C ATOM 295 O GLU A 19 -16.826 -15.051 0.059 1.00 30.51 O ATOM 296 CB GLU A 19 -16.696 -17.606 1.616 1.00 55.44 C ATOM 297 CG GLU A 19 -18.142 -17.966 1.313 1.00 53.24 C ATOM 298 CD GLU A 19 -18.989 -18.053 2.559 1.00 60.13 C ATOM 299 OE1 GLU A 19 -19.498 -17.006 2.998 1.00 34.10 O ATOM 300 OE2 GLU A 19 -19.133 -19.160 3.113 1.00 23.31 O ATOM 0 H GLU A 19 -18.023 -16.131 3.613 1.00 1.13 H new ATOM 0 HA GLU A 19 -15.437 -15.958 2.183 1.00 70.32 H new ATOM 0 HB2 GLU A 19 -16.106 -17.722 0.707 1.00 55.44 H new ATOM 0 HB3 GLU A 19 -16.302 -18.315 2.344 1.00 55.44 H new ATOM 0 HG2 GLU A 19 -18.566 -17.220 0.641 1.00 53.24 H new ATOM 0 HG3 GLU A 19 -18.173 -18.921 0.789 1.00 53.24 H new ATOM 307 N ASP A 20 -18.166 -14.465 1.762 1.00 3.11 N ATOM 308 CA ASP A 20 -18.984 -13.572 0.960 1.00 41.24 C ATOM 309 C ASP A 20 -18.485 -12.135 1.061 1.00 4.34 C ATOM 310 O ASP A 20 -18.924 -11.365 1.923 1.00 51.23 O ATOM 311 CB ASP A 20 -20.443 -13.647 1.402 1.00 54.14 C ATOM 312 CG ASP A 20 -21.368 -12.847 0.499 1.00 25.33 C ATOM 313 OD1 ASP A 20 -21.870 -13.411 -0.497 1.00 30.22 O ATOM 314 OD2 ASP A 20 -21.610 -11.658 0.784 1.00 52.23 O ATOM 0 H ASP A 20 -18.411 -14.485 2.752 1.00 3.11 H new ATOM 0 HA ASP A 20 -18.909 -13.891 -0.080 1.00 41.24 H new ATOM 0 HB2 ASP A 20 -20.763 -14.689 1.412 1.00 54.14 H new ATOM 0 HB3 ASP A 20 -20.529 -13.277 2.424 1.00 54.14 H new ATOM 319 N PHE A 21 -17.520 -11.810 0.217 1.00 62.33 N ATOM 320 CA PHE A 21 -16.973 -10.457 0.127 1.00 52.05 C ATOM 321 C PHE A 21 -16.077 -10.328 -1.100 1.00 12.54 C ATOM 322 O PHE A 21 -15.816 -11.315 -1.789 1.00 21.13 O ATOM 323 CB PHE A 21 -16.192 -10.090 1.399 1.00 52.12 C ATOM 324 CG PHE A 21 -15.274 -11.171 1.897 1.00 1.42 C ATOM 325 CD1 PHE A 21 -13.992 -11.310 1.394 1.00 44.10 C ATOM 326 CD2 PHE A 21 -15.702 -12.048 2.876 1.00 71.54 C ATOM 327 CE1 PHE A 21 -13.156 -12.307 1.861 1.00 61.21 C ATOM 328 CE2 PHE A 21 -14.875 -13.043 3.344 1.00 50.34 C ATOM 329 CZ PHE A 21 -13.598 -13.175 2.838 1.00 34.54 C ATOM 0 H PHE A 21 -17.090 -12.474 -0.427 1.00 62.33 H new ATOM 0 HA PHE A 21 -17.807 -9.762 0.030 1.00 52.05 H new ATOM 0 HB2 PHE A 21 -15.605 -9.193 1.204 1.00 52.12 H new ATOM 0 HB3 PHE A 21 -16.902 -9.841 2.188 1.00 52.12 H new ATOM 0 HD1 PHE A 21 -13.641 -10.633 0.629 1.00 44.10 H new ATOM 0 HD2 PHE A 21 -16.699 -11.951 3.279 1.00 71.54 H new ATOM 0 HE1 PHE A 21 -12.158 -12.406 1.461 1.00 61.21 H new ATOM 0 HE2 PHE A 21 -15.226 -13.721 4.108 1.00 50.34 H new ATOM 0 HZ PHE A 21 -12.947 -13.955 3.205 1.00 34.54 H new ATOM 339 N GLY A 22 -15.633 -9.110 -1.377 1.00 71.05 N ATOM 340 CA GLY A 22 -14.736 -8.877 -2.493 1.00 72.21 C ATOM 341 C GLY A 22 -14.750 -7.429 -2.940 1.00 73.51 C ATOM 342 O GLY A 22 -15.658 -6.675 -2.586 1.00 32.10 O ATOM 0 H GLY A 22 -15.879 -8.274 -0.846 1.00 71.05 H new ATOM 0 HA2 GLY A 22 -13.722 -9.159 -2.208 1.00 72.21 H new ATOM 0 HA3 GLY A 22 -15.022 -9.517 -3.328 1.00 72.21 H new ATOM 346 N THR A 23 -13.757 -7.034 -3.722 1.00 75.33 N ATOM 347 CA THR A 23 -13.664 -5.664 -4.198 1.00 61.41 C ATOM 348 C THR A 23 -14.288 -5.517 -5.578 1.00 2.32 C ATOM 349 O THR A 23 -14.085 -6.359 -6.456 1.00 14.32 O ATOM 350 CB THR A 23 -12.202 -5.182 -4.267 1.00 2.21 C ATOM 351 OG1 THR A 23 -11.379 -6.177 -4.893 1.00 52.44 O ATOM 352 CG2 THR A 23 -11.662 -4.870 -2.886 1.00 34.41 C ATOM 0 H THR A 23 -13.004 -7.644 -4.040 1.00 75.33 H new ATOM 0 HA THR A 23 -14.210 -5.051 -3.481 1.00 61.41 H new ATOM 0 HB THR A 23 -12.180 -4.268 -4.861 1.00 2.21 H new ATOM 0 HG1 THR A 23 -10.453 -5.858 -4.932 1.00 52.44 H new ATOM 0 HG21 THR A 23 -10.629 -4.532 -2.967 1.00 34.41 H new ATOM 0 HG22 THR A 23 -12.265 -4.086 -2.428 1.00 34.41 H new ATOM 0 HG23 THR A 23 -11.703 -5.767 -2.268 1.00 34.41 H new ATOM 360 N LYS A 24 -15.047 -4.453 -5.768 1.00 63.41 N ATOM 361 CA LYS A 24 -15.607 -4.161 -7.066 1.00 11.14 C ATOM 362 C LYS A 24 -14.955 -2.903 -7.617 1.00 72.35 C ATOM 363 O LYS A 24 -14.587 -2.003 -6.860 1.00 40.53 O ATOM 364 CB LYS A 24 -17.143 -4.033 -6.995 1.00 2.24 C ATOM 365 CG LYS A 24 -17.677 -2.763 -6.337 1.00 30.21 C ATOM 366 CD LYS A 24 -17.784 -1.616 -7.334 1.00 70.34 C ATOM 367 CE LYS A 24 -18.673 -0.491 -6.822 1.00 25.34 C ATOM 368 NZ LYS A 24 -20.083 -0.930 -6.651 1.00 12.11 N ATOM 0 H LYS A 24 -15.287 -3.781 -5.039 1.00 63.41 H new ATOM 0 HA LYS A 24 -15.399 -4.987 -7.746 1.00 11.14 H new ATOM 0 HB2 LYS A 24 -17.540 -4.088 -8.009 1.00 2.24 H new ATOM 0 HB3 LYS A 24 -17.535 -4.893 -6.452 1.00 2.24 H new ATOM 0 HG2 LYS A 24 -18.657 -2.962 -5.904 1.00 30.21 H new ATOM 0 HG3 LYS A 24 -17.019 -2.473 -5.518 1.00 30.21 H new ATOM 0 HD2 LYS A 24 -16.789 -1.224 -7.543 1.00 70.34 H new ATOM 0 HD3 LYS A 24 -18.183 -1.992 -8.276 1.00 70.34 H new ATOM 0 HE2 LYS A 24 -18.288 -0.130 -5.869 1.00 25.34 H new ATOM 0 HE3 LYS A 24 -18.636 0.346 -7.519 1.00 25.34 H new ATOM 0 HZ1 LYS A 24 -20.707 -0.320 -7.217 1.00 12.11 H new ATOM 0 HZ2 LYS A 24 -20.181 -1.915 -6.969 1.00 12.11 H new ATOM 0 HZ3 LYS A 24 -20.349 -0.862 -5.648 1.00 12.11 H new ATOM 743 N TYR A 47 -14.908 7.457 -14.089 1.00 22.23 N ATOM 744 CA TYR A 47 -14.356 7.223 -12.772 1.00 20.43 C ATOM 745 C TYR A 47 -14.287 5.737 -12.478 1.00 24.13 C ATOM 746 O TYR A 47 -15.172 4.974 -12.867 1.00 44.42 O ATOM 747 CB TYR A 47 -15.207 7.906 -11.701 1.00 35.15 C ATOM 748 CG TYR A 47 -15.128 9.416 -11.695 1.00 22.24 C ATOM 749 CD1 TYR A 47 -15.808 10.176 -12.638 1.00 22.35 C ATOM 750 CD2 TYR A 47 -14.380 10.081 -10.733 1.00 10.50 C ATOM 751 CE1 TYR A 47 -15.742 11.554 -12.625 1.00 60.44 C ATOM 752 CE2 TYR A 47 -14.314 11.461 -10.710 1.00 2.01 C ATOM 753 CZ TYR A 47 -14.995 12.192 -11.659 1.00 62.24 C ATOM 754 OH TYR A 47 -14.945 13.565 -11.630 1.00 70.13 O ATOM 0 HA TYR A 47 -13.350 7.642 -12.754 1.00 20.43 H new ATOM 0 HB2 TYR A 47 -16.247 7.611 -11.841 1.00 35.15 H new ATOM 0 HB3 TYR A 47 -14.900 7.536 -10.723 1.00 35.15 H new ATOM 0 HD1 TYR A 47 -16.398 9.680 -13.394 1.00 22.35 H new ATOM 0 HD2 TYR A 47 -13.841 9.511 -9.991 1.00 10.50 H new ATOM 0 HE1 TYR A 47 -16.273 12.130 -13.368 1.00 60.44 H new ATOM 0 HE2 TYR A 47 -13.732 11.964 -9.952 1.00 2.01 H new ATOM 0 HH TYR A 47 -14.376 13.856 -10.887 1.00 70.13 H new ATOM 764 N TYR A 48 -13.233 5.332 -11.798 1.00 30.22 N ATOM 765 CA TYR A 48 -13.114 3.968 -11.329 1.00 71.22 C ATOM 766 C TYR A 48 -13.861 3.831 -10.020 1.00 41.40 C ATOM 767 O TYR A 48 -13.405 4.319 -8.983 1.00 73.32 O ATOM 768 CB TYR A 48 -11.648 3.569 -11.141 1.00 43.13 C ATOM 769 CG TYR A 48 -10.940 3.212 -12.429 1.00 41.11 C ATOM 770 CD1 TYR A 48 -11.337 3.761 -13.638 1.00 70.54 C ATOM 771 CD2 TYR A 48 -9.874 2.322 -12.432 1.00 70.33 C ATOM 772 CE1 TYR A 48 -10.693 3.436 -14.814 1.00 15.23 C ATOM 773 CE2 TYR A 48 -9.222 1.994 -13.606 1.00 35.43 C ATOM 774 CZ TYR A 48 -9.635 2.554 -14.793 1.00 53.13 C ATOM 775 OH TYR A 48 -8.985 2.237 -15.965 1.00 25.14 O ATOM 0 H TYR A 48 -12.444 5.932 -11.558 1.00 30.22 H new ATOM 0 HA TYR A 48 -13.544 3.302 -12.077 1.00 71.22 H new ATOM 0 HB2 TYR A 48 -11.117 4.391 -10.662 1.00 43.13 H new ATOM 0 HB3 TYR A 48 -11.598 2.718 -10.462 1.00 43.13 H new ATOM 0 HD1 TYR A 48 -12.164 4.455 -13.660 1.00 70.54 H new ATOM 0 HD2 TYR A 48 -9.549 1.879 -11.502 1.00 70.33 H new ATOM 0 HE1 TYR A 48 -11.017 3.871 -15.748 1.00 15.23 H new ATOM 0 HE2 TYR A 48 -8.393 1.302 -13.592 1.00 35.43 H new ATOM 0 HH TYR A 48 -8.262 1.603 -15.777 1.00 25.14 H new ATOM 785 N GLY A 49 -15.028 3.217 -10.082 1.00 63.21 N ATOM 786 CA GLY A 49 -15.827 3.025 -8.891 1.00 60.41 C ATOM 787 C GLY A 49 -15.317 1.875 -8.049 1.00 41.44 C ATOM 788 O GLY A 49 -15.880 0.779 -8.077 1.00 54.40 O ATOM 0 H GLY A 49 -15.439 2.846 -10.938 1.00 63.21 H new ATOM 0 HA2 GLY A 49 -15.821 3.940 -8.298 1.00 60.41 H new ATOM 0 HA3 GLY A 49 -16.862 2.836 -9.175 1.00 60.41 H new ATOM 792 N PHE A 50 -14.231 2.122 -7.325 1.00 21.04 N ATOM 793 CA PHE A 50 -13.662 1.132 -6.425 1.00 62.50 C ATOM 794 C PHE A 50 -14.462 1.070 -5.134 1.00 64.40 C ATOM 795 O PHE A 50 -14.847 2.101 -4.578 1.00 63.03 O ATOM 796 CB PHE A 50 -12.198 1.452 -6.117 1.00 1.02 C ATOM 797 CG PHE A 50 -11.221 0.711 -6.981 1.00 4.54 C ATOM 798 CD1 PHE A 50 -10.820 -0.569 -6.638 1.00 65.25 C ATOM 799 CD2 PHE A 50 -10.702 1.285 -8.133 1.00 65.31 C ATOM 800 CE1 PHE A 50 -9.922 -1.261 -7.420 1.00 41.33 C ATOM 801 CE2 PHE A 50 -9.804 0.598 -8.915 1.00 43.32 C ATOM 802 CZ PHE A 50 -9.412 -0.676 -8.559 1.00 50.01 C ATOM 0 H PHE A 50 -13.725 3.008 -7.346 1.00 21.04 H new ATOM 0 HA PHE A 50 -13.707 0.161 -6.918 1.00 62.50 H new ATOM 0 HB2 PHE A 50 -12.037 2.523 -6.239 1.00 1.02 H new ATOM 0 HB3 PHE A 50 -11.996 1.216 -5.072 1.00 1.02 H new ATOM 0 HD1 PHE A 50 -11.216 -1.031 -5.746 1.00 65.25 H new ATOM 0 HD2 PHE A 50 -11.007 2.281 -8.418 1.00 65.31 H new ATOM 0 HE1 PHE A 50 -9.618 -2.259 -7.141 1.00 41.33 H new ATOM 0 HE2 PHE A 50 -9.405 1.056 -9.808 1.00 43.32 H new ATOM 0 HZ PHE A 50 -8.705 -1.215 -9.173 1.00 50.01 H new ATOM 812 N SER A 51 -14.721 -0.135 -4.669 1.00 12.13 N ATOM 813 CA SER A 51 -15.494 -0.328 -3.461 1.00 31.45 C ATOM 814 C SER A 51 -15.311 -1.747 -2.944 1.00 40.44 C ATOM 815 O SER A 51 -15.016 -2.661 -3.715 1.00 52.25 O ATOM 816 CB SER A 51 -16.970 -0.058 -3.751 1.00 63.30 C ATOM 817 OG SER A 51 -17.751 -0.133 -2.580 1.00 63.01 O ATOM 0 H SER A 51 -14.406 -0.998 -5.112 1.00 12.13 H new ATOM 0 HA SER A 51 -15.146 0.367 -2.697 1.00 31.45 H new ATOM 0 HB2 SER A 51 -17.079 0.930 -4.199 1.00 63.30 H new ATOM 0 HB3 SER A 51 -17.336 -0.781 -4.480 1.00 63.30 H new ATOM 0 HG SER A 51 -17.301 0.349 -1.855 1.00 63.01 H new ATOM 823 N PHE A 52 -15.484 -1.931 -1.645 1.00 31.44 N ATOM 824 CA PHE A 52 -15.408 -3.253 -1.063 1.00 45.35 C ATOM 825 C PHE A 52 -16.774 -3.699 -0.584 1.00 2.02 C ATOM 826 O PHE A 52 -17.420 -3.008 0.216 1.00 0.41 O ATOM 827 CB PHE A 52 -14.430 -3.314 0.105 1.00 1.14 C ATOM 828 CG PHE A 52 -14.190 -4.731 0.549 1.00 32.41 C ATOM 829 CD1 PHE A 52 -13.176 -5.477 -0.019 1.00 4.42 C ATOM 830 CD2 PHE A 52 -14.997 -5.330 1.509 1.00 4.02 C ATOM 831 CE1 PHE A 52 -12.963 -6.788 0.350 1.00 62.45 C ATOM 832 CE2 PHE A 52 -14.787 -6.642 1.889 1.00 4.25 C ATOM 833 CZ PHE A 52 -13.769 -7.373 1.305 1.00 52.12 C ATOM 0 H PHE A 52 -15.677 -1.183 -0.979 1.00 31.44 H new ATOM 0 HA PHE A 52 -15.048 -3.920 -1.846 1.00 45.35 H new ATOM 0 HB2 PHE A 52 -13.484 -2.858 -0.187 1.00 1.14 H new ATOM 0 HB3 PHE A 52 -14.821 -2.731 0.939 1.00 1.14 H new ATOM 0 HD1 PHE A 52 -12.539 -5.025 -0.765 1.00 4.42 H new ATOM 0 HD2 PHE A 52 -15.797 -4.764 1.963 1.00 4.02 H new ATOM 0 HE1 PHE A 52 -12.167 -7.356 -0.108 1.00 62.45 H new ATOM 0 HE2 PHE A 52 -15.417 -7.095 2.640 1.00 4.25 H new ATOM 0 HZ PHE A 52 -13.605 -8.400 1.596 1.00 52.12 H new ATOM 843 N PHE A 53 -17.184 -4.866 -1.058 1.00 50.23 N ATOM 844 CA PHE A 53 -18.456 -5.457 -0.682 1.00 1.10 C ATOM 845 C PHE A 53 -18.266 -6.585 0.320 1.00 51.33 C ATOM 846 O PHE A 53 -17.363 -7.409 0.177 1.00 34.23 O ATOM 847 CB PHE A 53 -19.175 -6.015 -1.911 1.00 40.35 C ATOM 848 CG PHE A 53 -20.108 -5.048 -2.574 1.00 65.01 C ATOM 849 CD1 PHE A 53 -21.416 -4.939 -2.139 1.00 45.40 C ATOM 850 CD2 PHE A 53 -19.685 -4.258 -3.628 1.00 72.40 C ATOM 851 CE1 PHE A 53 -22.291 -4.056 -2.741 1.00 21.31 C ATOM 852 CE2 PHE A 53 -20.555 -3.372 -4.237 1.00 63.40 C ATOM 853 CZ PHE A 53 -21.860 -3.271 -3.792 1.00 22.45 C ATOM 0 H PHE A 53 -16.643 -5.429 -1.714 1.00 50.23 H new ATOM 0 HA PHE A 53 -19.055 -4.668 -0.227 1.00 1.10 H new ATOM 0 HB2 PHE A 53 -18.429 -6.338 -2.638 1.00 40.35 H new ATOM 0 HB3 PHE A 53 -19.738 -6.901 -1.617 1.00 40.35 H new ATOM 0 HD1 PHE A 53 -21.758 -5.552 -1.318 1.00 45.40 H new ATOM 0 HD2 PHE A 53 -18.666 -4.334 -3.978 1.00 72.40 H new ATOM 0 HE1 PHE A 53 -23.310 -3.980 -2.391 1.00 21.31 H new ATOM 0 HE2 PHE A 53 -20.215 -2.760 -5.059 1.00 63.40 H new ATOM 0 HZ PHE A 53 -22.541 -2.579 -4.266 1.00 22.45 H new ATOM 863 N ARG A 54 -19.110 -6.598 1.334 1.00 31.34 N ATOM 864 CA ARG A 54 -19.236 -7.739 2.230 1.00 24.22 C ATOM 865 C ARG A 54 -20.715 -7.952 2.547 1.00 11.24 C ATOM 866 O ARG A 54 -21.350 -7.072 3.130 1.00 43.31 O ATOM 867 CB ARG A 54 -18.464 -7.550 3.541 1.00 13.02 C ATOM 868 CG ARG A 54 -18.654 -8.735 4.474 1.00 43.52 C ATOM 869 CD ARG A 54 -18.117 -8.497 5.875 1.00 31.45 C ATOM 870 NE ARG A 54 -18.707 -9.458 6.814 1.00 41.54 N ATOM 871 CZ ARG A 54 -18.215 -9.761 8.018 1.00 75.00 C ATOM 872 NH1 ARG A 54 -17.108 -9.194 8.458 1.00 60.33 N ATOM 873 NH2 ARG A 54 -18.850 -10.629 8.796 1.00 73.50 N ATOM 0 H ARG A 54 -19.729 -5.820 1.562 1.00 31.34 H new ATOM 0 HA ARG A 54 -18.809 -8.605 1.725 1.00 24.22 H new ATOM 0 HB2 ARG A 54 -17.403 -7.422 3.325 1.00 13.02 H new ATOM 0 HB3 ARG A 54 -18.801 -6.639 4.035 1.00 13.02 H new ATOM 0 HG2 ARG A 54 -19.716 -8.971 4.536 1.00 43.52 H new ATOM 0 HG3 ARG A 54 -18.158 -9.607 4.047 1.00 43.52 H new ATOM 0 HD2 ARG A 54 -17.031 -8.595 5.878 1.00 31.45 H new ATOM 0 HD3 ARG A 54 -18.346 -7.480 6.192 1.00 31.45 H new ATOM 0 HE ARG A 54 -19.562 -9.933 6.524 1.00 41.54 H new ATOM 0 HH11 ARG A 54 -16.617 -8.515 7.877 1.00 60.33 H new ATOM 0 HH12 ARG A 54 -16.743 -9.435 9.380 1.00 60.33 H new ATOM 0 HH21 ARG A 54 -19.714 -11.065 8.474 1.00 73.50 H new ATOM 0 HH22 ARG A 54 -18.474 -10.860 9.715 1.00 73.50 H new ATOM 887 N HIS A 55 -21.267 -9.097 2.143 1.00 30.44 N ATOM 888 CA HIS A 55 -22.690 -9.397 2.356 1.00 11.03 C ATOM 889 C HIS A 55 -23.585 -8.383 1.656 1.00 31.15 C ATOM 890 O HIS A 55 -24.723 -8.154 2.068 1.00 32.11 O ATOM 891 CB HIS A 55 -23.030 -9.439 3.848 1.00 43.21 C ATOM 892 CG HIS A 55 -22.709 -10.740 4.504 1.00 50.02 C ATOM 893 ND1 HIS A 55 -23.665 -11.621 4.966 1.00 5.30 N ATOM 894 CD2 HIS A 55 -21.509 -11.303 4.789 1.00 12.21 C ATOM 895 CE1 HIS A 55 -23.030 -12.666 5.507 1.00 24.21 C ATOM 896 NE2 HIS A 55 -21.724 -12.519 5.421 1.00 15.23 N ATOM 0 H HIS A 55 -20.751 -9.836 1.665 1.00 30.44 H new ATOM 0 HA HIS A 55 -22.875 -10.381 1.924 1.00 11.03 H new ATOM 0 HB2 HIS A 55 -22.487 -8.643 4.357 1.00 43.21 H new ATOM 0 HB3 HIS A 55 -24.093 -9.232 3.975 1.00 43.21 H new ATOM 0 HD2 HIS A 55 -20.544 -10.875 4.561 1.00 12.21 H new ATOM 0 HE1 HIS A 55 -23.522 -13.517 5.955 1.00 24.21 H new ATOM 0 HE2 HIS A 55 -21.012 -13.170 5.753 1.00 15.23 H new ATOM 904 N GLY A 56 -23.078 -7.789 0.589 1.00 73.35 N ATOM 905 CA GLY A 56 -23.841 -6.792 -0.128 1.00 5.04 C ATOM 906 C GLY A 56 -23.759 -5.421 0.517 1.00 34.43 C ATOM 907 O GLY A 56 -24.405 -4.476 0.062 1.00 45.11 O ATOM 0 H GLY A 56 -22.152 -7.979 0.206 1.00 73.35 H new ATOM 0 HA2 GLY A 56 -23.477 -6.729 -1.154 1.00 5.04 H new ATOM 0 HA3 GLY A 56 -24.884 -7.104 -0.178 1.00 5.04 H new ATOM 911 N ASN A 57 -22.979 -5.306 1.587 1.00 71.43 N ATOM 912 CA ASN A 57 -22.767 -4.013 2.227 1.00 52.21 C ATOM 913 C ASN A 57 -21.518 -3.372 1.675 1.00 30.13 C ATOM 914 O ASN A 57 -20.692 -4.031 1.041 1.00 30.30 O ATOM 915 CB ASN A 57 -22.614 -4.124 3.749 1.00 35.40 C ATOM 916 CG ASN A 57 -23.752 -4.860 4.409 1.00 4.22 C ATOM 917 OD1 ASN A 57 -24.760 -4.272 4.790 1.00 44.42 O ATOM 918 ND2 ASN A 57 -23.574 -6.152 4.567 1.00 2.43 N ATOM 0 H ASN A 57 -22.487 -6.085 2.026 1.00 71.43 H new ATOM 0 HA ASN A 57 -23.650 -3.410 2.015 1.00 52.21 H new ATOM 0 HB2 ASN A 57 -21.679 -4.635 3.977 1.00 35.40 H new ATOM 0 HB3 ASN A 57 -22.542 -3.123 4.174 1.00 35.40 H new ATOM 0 HD21 ASN A 57 -24.292 -6.714 5.024 1.00 2.43 H new ATOM 0 HD22 ASN A 57 -22.718 -6.594 4.232 1.00 2.43 H new ATOM 925 N ILE A 58 -21.369 -2.100 1.950 1.00 33.53 N ATOM 926 CA ILE A 58 -20.208 -1.362 1.505 1.00 5.33 C ATOM 927 C ILE A 58 -19.321 -1.024 2.680 1.00 61.52 C ATOM 928 O ILE A 58 -19.665 -0.197 3.527 1.00 42.44 O ATOM 929 CB ILE A 58 -20.589 -0.080 0.745 1.00 14.00 C ATOM 930 CG1 ILE A 58 -21.271 -0.459 -0.563 1.00 71.22 C ATOM 931 CG2 ILE A 58 -19.357 0.780 0.482 1.00 11.55 C ATOM 932 CD1 ILE A 58 -20.360 -1.196 -1.516 1.00 11.13 C ATOM 0 H ILE A 58 -22.041 -1.549 2.484 1.00 33.53 H new ATOM 0 HA ILE A 58 -19.664 -2.003 0.811 1.00 5.33 H new ATOM 0 HB ILE A 58 -21.277 0.507 1.353 1.00 14.00 H new ATOM 0 HG12 ILE A 58 -22.139 -1.081 -0.346 1.00 71.22 H new ATOM 0 HG13 ILE A 58 -21.640 0.445 -1.048 1.00 71.22 H new ATOM 0 HG21 ILE A 58 -19.651 1.681 -0.056 1.00 11.55 H new ATOM 0 HG22 ILE A 58 -18.898 1.058 1.431 1.00 11.55 H new ATOM 0 HG23 ILE A 58 -18.641 0.217 -0.117 1.00 11.55 H new ATOM 0 HD11 ILE A 58 -20.906 -1.437 -2.428 1.00 11.13 H new ATOM 0 HD12 ILE A 58 -19.504 -0.567 -1.761 1.00 11.13 H new ATOM 0 HD13 ILE A 58 -20.011 -2.116 -1.048 1.00 11.13 H new ATOM 944 N VAL A 59 -18.195 -1.694 2.733 1.00 64.31 N ATOM 945 CA VAL A 59 -17.218 -1.457 3.776 1.00 74.44 C ATOM 946 C VAL A 59 -16.258 -0.360 3.340 1.00 4.03 C ATOM 947 O VAL A 59 -15.810 0.454 4.146 1.00 13.51 O ATOM 948 CB VAL A 59 -16.426 -2.737 4.112 1.00 11.54 C ATOM 949 CG1 VAL A 59 -15.372 -2.449 5.169 1.00 71.34 C ATOM 950 CG2 VAL A 59 -17.361 -3.847 4.575 1.00 21.24 C ATOM 0 H VAL A 59 -17.928 -2.414 2.062 1.00 64.31 H new ATOM 0 HA VAL A 59 -17.753 -1.147 4.674 1.00 74.44 H new ATOM 0 HB VAL A 59 -15.923 -3.074 3.206 1.00 11.54 H new ATOM 0 HG11 VAL A 59 -14.823 -3.363 5.394 1.00 71.34 H new ATOM 0 HG12 VAL A 59 -14.681 -1.693 4.797 1.00 71.34 H new ATOM 0 HG13 VAL A 59 -15.856 -2.084 6.075 1.00 71.34 H new ATOM 0 HG21 VAL A 59 -16.780 -4.740 4.806 1.00 21.24 H new ATOM 0 HG22 VAL A 59 -17.898 -3.522 5.467 1.00 21.24 H new ATOM 0 HG23 VAL A 59 -18.076 -4.074 3.784 1.00 21.24 H new ATOM 960 N ALA A 60 -15.960 -0.332 2.053 1.00 62.33 N ATOM 961 CA ALA A 60 -15.056 0.669 1.512 1.00 5.15 C ATOM 962 C ALA A 60 -15.576 1.205 0.191 1.00 13.12 C ATOM 963 O ALA A 60 -16.187 0.468 -0.573 1.00 24.35 O ATOM 964 CB ALA A 60 -13.672 0.075 1.325 1.00 60.43 C ATOM 0 H ALA A 60 -16.329 -0.988 1.365 1.00 62.33 H new ATOM 0 HA ALA A 60 -14.996 1.496 2.219 1.00 5.15 H new ATOM 0 HB1 ALA A 60 -13.002 0.833 0.919 1.00 60.43 H new ATOM 0 HB2 ALA A 60 -13.291 -0.269 2.287 1.00 60.43 H new ATOM 0 HB3 ALA A 60 -13.728 -0.767 0.635 1.00 60.43 H new ATOM 970 N TYR A 61 -15.347 2.484 -0.067 1.00 53.21 N ATOM 971 CA TYR A 61 -15.710 3.078 -1.347 1.00 11.14 C ATOM 972 C TYR A 61 -14.742 4.201 -1.690 1.00 64.42 C ATOM 973 O TYR A 61 -14.502 5.096 -0.876 1.00 54.43 O ATOM 974 CB TYR A 61 -17.149 3.615 -1.322 1.00 71.32 C ATOM 975 CG TYR A 61 -17.745 3.809 -2.703 1.00 1.32 C ATOM 976 CD1 TYR A 61 -17.397 4.898 -3.493 1.00 13.41 C ATOM 977 CD2 TYR A 61 -18.649 2.890 -3.221 1.00 3.31 C ATOM 978 CE1 TYR A 61 -17.934 5.065 -4.755 1.00 24.01 C ATOM 979 CE2 TYR A 61 -19.186 3.049 -4.483 1.00 31.20 C ATOM 980 CZ TYR A 61 -18.826 4.135 -5.245 1.00 74.41 C ATOM 981 OH TYR A 61 -19.360 4.296 -6.501 1.00 52.42 O ATOM 0 H TYR A 61 -14.912 3.130 0.591 1.00 53.21 H new ATOM 0 HA TYR A 61 -15.651 2.302 -2.111 1.00 11.14 H new ATOM 0 HB2 TYR A 61 -17.776 2.925 -0.758 1.00 71.32 H new ATOM 0 HB3 TYR A 61 -17.164 4.567 -0.791 1.00 71.32 H new ATOM 0 HD1 TYR A 61 -16.695 5.626 -3.114 1.00 13.41 H new ATOM 0 HD2 TYR A 61 -18.937 2.036 -2.626 1.00 3.31 H new ATOM 0 HE1 TYR A 61 -17.656 5.919 -5.354 1.00 24.01 H new ATOM 0 HE2 TYR A 61 -19.886 2.323 -4.870 1.00 31.20 H new ATOM 0 HH TYR A 61 -19.969 3.553 -6.695 1.00 52.42 H new ATOM 991 N GLY A 62 -14.186 4.135 -2.886 1.00 70.55 N ATOM 992 CA GLY A 62 -13.263 5.148 -3.343 1.00 12.10 C ATOM 993 C GLY A 62 -13.342 5.338 -4.841 1.00 35.53 C ATOM 994 O GLY A 62 -12.880 4.494 -5.604 1.00 31.40 O ATOM 0 H GLY A 62 -14.361 3.387 -3.557 1.00 70.55 H new ATOM 0 HA2 GLY A 62 -13.482 6.092 -2.844 1.00 12.10 H new ATOM 0 HA3 GLY A 62 -12.247 4.868 -3.064 1.00 12.10 H new ATOM 998 N LYS A 63 -13.942 6.434 -5.266 1.00 3.43 N ATOM 999 CA LYS A 63 -14.122 6.702 -6.680 1.00 44.33 C ATOM 1000 C LYS A 63 -13.172 7.800 -7.153 1.00 63.11 C ATOM 1001 O LYS A 63 -13.143 8.899 -6.600 1.00 21.41 O ATOM 1002 CB LYS A 63 -15.576 7.092 -6.942 1.00 44.55 C ATOM 1003 CG LYS A 63 -15.868 7.475 -8.379 1.00 2.44 C ATOM 1004 CD LYS A 63 -17.355 7.680 -8.599 1.00 41.22 C ATOM 1005 CE LYS A 63 -18.106 6.360 -8.546 1.00 41.33 C ATOM 1006 NZ LYS A 63 -19.578 6.552 -8.567 1.00 22.12 N ATOM 0 H LYS A 63 -14.314 7.156 -4.649 1.00 3.43 H new ATOM 0 HA LYS A 63 -13.887 5.800 -7.244 1.00 44.33 H new ATOM 0 HB2 LYS A 63 -16.220 6.258 -6.662 1.00 44.55 H new ATOM 0 HB3 LYS A 63 -15.838 7.929 -6.294 1.00 44.55 H new ATOM 0 HG2 LYS A 63 -15.331 8.389 -8.631 1.00 2.44 H new ATOM 0 HG3 LYS A 63 -15.502 6.696 -9.048 1.00 2.44 H new ATOM 0 HD2 LYS A 63 -17.748 8.356 -7.839 1.00 41.22 H new ATOM 0 HD3 LYS A 63 -17.520 8.157 -9.565 1.00 41.22 H new ATOM 0 HE2 LYS A 63 -17.810 5.741 -9.393 1.00 41.33 H new ATOM 0 HE3 LYS A 63 -17.824 5.820 -7.642 1.00 41.33 H new ATOM 0 HZ1 LYS A 63 -20.025 5.881 -7.910 1.00 22.12 H new ATOM 0 HZ2 LYS A 63 -19.805 7.525 -8.277 1.00 22.12 H new ATOM 0 HZ3 LYS A 63 -19.936 6.385 -9.529 1.00 22.12 H new ATOM 1020 N SER A 64 -12.376 7.485 -8.163 1.00 71.25 N ATOM 1021 CA SER A 64 -11.439 8.441 -8.733 1.00 44.13 C ATOM 1022 C SER A 64 -11.195 8.129 -10.204 1.00 3.03 C ATOM 1023 O SER A 64 -11.553 7.055 -10.677 1.00 63.20 O ATOM 1024 CB SER A 64 -10.119 8.415 -7.963 1.00 25.10 C ATOM 1025 OG SER A 64 -10.319 8.768 -6.607 1.00 5.13 O ATOM 0 H SER A 64 -12.361 6.567 -8.608 1.00 71.25 H new ATOM 0 HA SER A 64 -11.870 9.439 -8.653 1.00 44.13 H new ATOM 0 HB2 SER A 64 -9.678 7.420 -8.023 1.00 25.10 H new ATOM 0 HB3 SER A 64 -9.412 9.105 -8.422 1.00 25.10 H new ATOM 0 HG SER A 64 -10.383 9.743 -6.529 1.00 5.13 H new ATOM 1031 N ARG A 65 -10.592 9.068 -10.925 1.00 72.23 N ATOM 1032 CA ARG A 65 -10.274 8.858 -12.336 1.00 2.31 C ATOM 1033 C ARG A 65 -9.150 7.841 -12.459 1.00 71.22 C ATOM 1034 O ARG A 65 -9.121 7.023 -13.380 1.00 41.23 O ATOM 1035 CB ARG A 65 -9.834 10.160 -13.020 1.00 23.03 C ATOM 1036 CG ARG A 65 -10.896 11.247 -13.107 1.00 32.42 C ATOM 1037 CD ARG A 65 -11.119 11.951 -11.774 1.00 45.44 C ATOM 1038 NE ARG A 65 -9.868 12.422 -11.172 1.00 10.22 N ATOM 1039 CZ ARG A 65 -9.536 13.707 -11.048 1.00 73.44 C ATOM 1040 NH1 ARG A 65 -10.264 14.645 -11.631 1.00 52.24 N ATOM 1041 NH2 ARG A 65 -8.447 14.047 -10.370 1.00 34.22 N ATOM 0 H ARG A 65 -10.314 9.979 -10.559 1.00 72.23 H new ATOM 0 HA ARG A 65 -11.178 8.497 -12.827 1.00 2.31 H new ATOM 0 HB2 ARG A 65 -8.974 10.559 -12.483 1.00 23.03 H new ATOM 0 HB3 ARG A 65 -9.498 9.924 -14.029 1.00 23.03 H new ATOM 0 HG2 ARG A 65 -10.600 11.981 -13.857 1.00 32.42 H new ATOM 0 HG3 ARG A 65 -11.835 10.807 -13.444 1.00 32.42 H new ATOM 0 HD2 ARG A 65 -11.789 12.798 -11.922 1.00 45.44 H new ATOM 0 HD3 ARG A 65 -11.616 11.268 -11.085 1.00 45.44 H new ATOM 0 HE ARG A 65 -9.211 11.723 -10.826 1.00 10.22 H new ATOM 0 HH11 ARG A 65 -11.085 14.387 -12.179 1.00 52.24 H new ATOM 0 HH12 ARG A 65 -10.005 15.627 -11.532 1.00 52.24 H new ATOM 0 HH21 ARG A 65 -7.865 13.325 -9.945 1.00 34.22 H new ATOM 0 HH22 ARG A 65 -8.192 15.030 -10.274 1.00 34.22 H new ATOM 1055 N LYS A 66 -8.236 7.901 -11.503 1.00 34.40 N ATOM 1056 CA LYS A 66 -7.064 7.053 -11.503 1.00 2.03 C ATOM 1057 C LYS A 66 -7.266 5.884 -10.551 1.00 63.32 C ATOM 1058 O LYS A 66 -7.670 6.073 -9.401 1.00 34.40 O ATOM 1059 CB LYS A 66 -5.835 7.870 -11.097 1.00 74.21 C ATOM 1060 CG LYS A 66 -4.537 7.078 -11.095 1.00 0.40 C ATOM 1061 CD LYS A 66 -3.358 7.948 -10.688 1.00 4.24 C ATOM 1062 CE LYS A 66 -3.105 9.057 -11.697 1.00 12.02 C ATOM 1063 NZ LYS A 66 -2.030 9.979 -11.247 1.00 62.10 N ATOM 0 H LYS A 66 -8.289 8.539 -10.709 1.00 34.40 H new ATOM 0 HA LYS A 66 -6.906 6.657 -12.506 1.00 2.03 H new ATOM 0 HB2 LYS A 66 -5.732 8.715 -11.778 1.00 74.21 H new ATOM 0 HB3 LYS A 66 -5.998 8.282 -10.101 1.00 74.21 H new ATOM 0 HG2 LYS A 66 -4.624 6.236 -10.409 1.00 0.40 H new ATOM 0 HG3 LYS A 66 -4.360 6.664 -12.088 1.00 0.40 H new ATOM 0 HD2 LYS A 66 -3.549 8.384 -9.707 1.00 4.24 H new ATOM 0 HD3 LYS A 66 -2.465 7.330 -10.594 1.00 4.24 H new ATOM 0 HE2 LYS A 66 -2.830 8.619 -12.657 1.00 12.02 H new ATOM 0 HE3 LYS A 66 -4.024 9.621 -11.855 1.00 12.02 H new ATOM 0 HZ1 LYS A 66 -1.887 10.721 -11.962 1.00 62.10 H new ATOM 0 HZ2 LYS A 66 -2.303 10.416 -10.344 1.00 62.10 H new ATOM 0 HZ3 LYS A 66 -1.146 9.446 -11.120 1.00 62.10 H new ATOM 1077 N VAL A 67 -6.979 4.684 -11.040 1.00 74.04 N ATOM 1078 CA VAL A 67 -7.148 3.461 -10.262 1.00 24.12 C ATOM 1079 C VAL A 67 -6.368 3.521 -8.948 1.00 42.12 C ATOM 1080 O VAL A 67 -6.876 3.128 -7.901 1.00 31.31 O ATOM 1081 CB VAL A 67 -6.715 2.223 -11.088 1.00 5.41 C ATOM 1082 CG1 VAL A 67 -5.356 2.439 -11.721 1.00 71.12 C ATOM 1083 CG2 VAL A 67 -6.697 0.962 -10.241 1.00 72.14 C ATOM 0 H VAL A 67 -6.624 4.530 -11.984 1.00 74.04 H new ATOM 0 HA VAL A 67 -8.207 3.369 -10.020 1.00 24.12 H new ATOM 0 HB VAL A 67 -7.455 2.092 -11.878 1.00 5.41 H new ATOM 0 HG11 VAL A 67 -5.077 1.555 -12.294 1.00 71.12 H new ATOM 0 HG12 VAL A 67 -5.397 3.303 -12.384 1.00 71.12 H new ATOM 0 HG13 VAL A 67 -4.615 2.614 -10.941 1.00 71.12 H new ATOM 0 HG21 VAL A 67 -6.389 0.116 -10.855 1.00 72.14 H new ATOM 0 HG22 VAL A 67 -5.995 1.087 -9.417 1.00 72.14 H new ATOM 0 HG23 VAL A 67 -7.695 0.777 -9.843 1.00 72.14 H new ATOM 1093 N ALA A 68 -5.147 4.040 -9.009 1.00 61.41 N ATOM 1094 CA ALA A 68 -4.283 4.128 -7.835 1.00 51.44 C ATOM 1095 C ALA A 68 -4.919 4.948 -6.715 1.00 63.35 C ATOM 1096 O ALA A 68 -4.831 4.579 -5.542 1.00 51.01 O ATOM 1097 CB ALA A 68 -2.941 4.724 -8.219 1.00 64.12 C ATOM 0 H ALA A 68 -4.730 4.409 -9.864 1.00 61.41 H new ATOM 0 HA ALA A 68 -4.139 3.115 -7.458 1.00 51.44 H new ATOM 0 HB1 ALA A 68 -2.304 4.785 -7.336 1.00 64.12 H new ATOM 0 HB2 ALA A 68 -2.463 4.092 -8.968 1.00 64.12 H new ATOM 0 HB3 ALA A 68 -3.090 5.723 -8.629 1.00 64.12 H new ATOM 1103 N ASN A 69 -5.564 6.051 -7.080 1.00 20.31 N ATOM 1104 CA ASN A 69 -6.176 6.935 -6.091 1.00 73.43 C ATOM 1105 C ASN A 69 -7.457 6.315 -5.561 1.00 31.44 C ATOM 1106 O ASN A 69 -7.695 6.288 -4.355 1.00 41.21 O ATOM 1107 CB ASN A 69 -6.483 8.305 -6.700 1.00 1.22 C ATOM 1108 CG ASN A 69 -6.752 9.365 -5.646 1.00 35.15 C ATOM 1109 OD1 ASN A 69 -5.831 10.016 -5.159 1.00 22.34 O ATOM 1110 ND2 ASN A 69 -8.014 9.566 -5.302 1.00 44.11 N ATOM 0 H ASN A 69 -5.677 6.354 -8.047 1.00 20.31 H new ATOM 0 HA ASN A 69 -5.470 7.068 -5.271 1.00 73.43 H new ATOM 0 HB2 ASN A 69 -5.644 8.619 -7.320 1.00 1.22 H new ATOM 0 HB3 ASN A 69 -7.350 8.221 -7.355 1.00 1.22 H new ATOM 0 HD21 ASN A 69 -8.247 10.280 -4.612 1.00 44.11 H new ATOM 0 HD22 ASN A 69 -8.754 9.007 -5.727 1.00 44.11 H new ATOM 1117 N ALA A 70 -8.273 5.813 -6.482 1.00 13.24 N ATOM 1118 CA ALA A 70 -9.529 5.163 -6.136 1.00 11.32 C ATOM 1119 C ALA A 70 -9.298 4.003 -5.167 1.00 64.11 C ATOM 1120 O ALA A 70 -9.981 3.887 -4.144 1.00 53.45 O ATOM 1121 CB ALA A 70 -10.219 4.681 -7.403 1.00 24.52 C ATOM 0 H ALA A 70 -8.083 5.846 -7.484 1.00 13.24 H new ATOM 0 HA ALA A 70 -10.172 5.886 -5.634 1.00 11.32 H new ATOM 0 HB1 ALA A 70 -11.159 4.195 -7.143 1.00 24.52 H new ATOM 0 HB2 ALA A 70 -10.419 5.532 -8.055 1.00 24.52 H new ATOM 0 HB3 ALA A 70 -9.574 3.971 -7.921 1.00 24.52 H new ATOM 1127 N LYS A 71 -8.318 3.157 -5.488 1.00 30.11 N ATOM 1128 CA LYS A 71 -7.939 2.051 -4.612 1.00 54.52 C ATOM 1129 C LYS A 71 -7.524 2.567 -3.253 1.00 32.35 C ATOM 1130 O LYS A 71 -7.944 2.043 -2.226 1.00 33.32 O ATOM 1131 CB LYS A 71 -6.772 1.262 -5.196 1.00 63.30 C ATOM 1132 CG LYS A 71 -7.126 0.430 -6.395 1.00 74.12 C ATOM 1133 CD LYS A 71 -5.921 -0.349 -6.900 1.00 75.13 C ATOM 1134 CE LYS A 71 -4.751 0.578 -7.177 1.00 43.24 C ATOM 1135 NZ LYS A 71 -3.564 -0.147 -7.701 1.00 54.22 N ATOM 0 H LYS A 71 -7.773 3.218 -6.348 1.00 30.11 H new ATOM 0 HA LYS A 71 -8.810 1.402 -4.519 1.00 54.52 H new ATOM 0 HB2 LYS A 71 -5.980 1.958 -5.473 1.00 63.30 H new ATOM 0 HB3 LYS A 71 -6.367 0.610 -4.423 1.00 63.30 H new ATOM 0 HG2 LYS A 71 -7.927 -0.262 -6.137 1.00 74.12 H new ATOM 0 HG3 LYS A 71 -7.505 1.074 -7.189 1.00 74.12 H new ATOM 0 HD2 LYS A 71 -5.631 -1.096 -6.161 1.00 75.13 H new ATOM 0 HD3 LYS A 71 -6.187 -0.887 -7.810 1.00 75.13 H new ATOM 0 HE2 LYS A 71 -5.056 1.338 -7.897 1.00 43.24 H new ATOM 0 HE3 LYS A 71 -4.479 1.099 -6.259 1.00 43.24 H new ATOM 0 HZ1 LYS A 71 -2.793 0.529 -7.874 1.00 54.22 H new ATOM 0 HZ2 LYS A 71 -3.254 -0.855 -7.005 1.00 54.22 H new ATOM 0 HZ3 LYS A 71 -3.813 -0.623 -8.591 1.00 54.22 H new ATOM 1149 N TYR A 72 -6.694 3.598 -3.267 1.00 12.22 N ATOM 1150 CA TYR A 72 -6.134 4.148 -2.051 1.00 54.12 C ATOM 1151 C TYR A 72 -7.223 4.468 -1.030 1.00 4.15 C ATOM 1152 O TYR A 72 -7.128 4.086 0.137 1.00 23.42 O ATOM 1153 CB TYR A 72 -5.321 5.406 -2.382 1.00 4.14 C ATOM 1154 CG TYR A 72 -5.050 6.304 -1.196 1.00 64.30 C ATOM 1155 CD1 TYR A 72 -4.046 6.007 -0.284 1.00 74.02 C ATOM 1156 CD2 TYR A 72 -5.807 7.451 -0.992 1.00 14.22 C ATOM 1157 CE1 TYR A 72 -3.804 6.830 0.800 1.00 53.44 C ATOM 1158 CE2 TYR A 72 -5.572 8.277 0.088 1.00 53.44 C ATOM 1159 CZ TYR A 72 -4.570 7.963 0.982 1.00 73.32 C ATOM 1160 OH TYR A 72 -4.331 8.786 2.061 1.00 21.43 O ATOM 0 H TYR A 72 -6.393 4.072 -4.119 1.00 12.22 H new ATOM 0 HA TYR A 72 -5.478 3.400 -1.605 1.00 54.12 H new ATOM 0 HB2 TYR A 72 -4.369 5.104 -2.819 1.00 4.14 H new ATOM 0 HB3 TYR A 72 -5.853 5.978 -3.142 1.00 4.14 H new ATOM 0 HD1 TYR A 72 -3.446 5.120 -0.424 1.00 74.02 H new ATOM 0 HD2 TYR A 72 -6.592 7.700 -1.690 1.00 14.22 H new ATOM 0 HE1 TYR A 72 -3.019 6.587 1.501 1.00 53.44 H new ATOM 0 HE2 TYR A 72 -6.170 9.165 0.232 1.00 53.44 H new ATOM 0 HH TYR A 72 -4.957 9.540 2.042 1.00 21.43 H new ATOM 1170 N ILE A 73 -8.259 5.148 -1.493 1.00 1.12 N ATOM 1171 CA ILE A 73 -9.357 5.577 -0.638 1.00 14.34 C ATOM 1172 C ILE A 73 -10.031 4.386 0.036 1.00 43.13 C ATOM 1173 O ILE A 73 -10.174 4.348 1.264 1.00 41.54 O ATOM 1174 CB ILE A 73 -10.397 6.358 -1.456 1.00 23.23 C ATOM 1175 CG1 ILE A 73 -9.718 7.535 -2.154 1.00 34.14 C ATOM 1176 CG2 ILE A 73 -11.531 6.840 -0.561 1.00 71.51 C ATOM 1177 CD1 ILE A 73 -10.474 8.045 -3.354 1.00 44.12 C ATOM 0 H ILE A 73 -8.364 5.419 -2.471 1.00 1.12 H new ATOM 0 HA ILE A 73 -8.941 6.224 0.135 1.00 14.34 H new ATOM 0 HB ILE A 73 -10.826 5.699 -2.211 1.00 23.23 H new ATOM 0 HG12 ILE A 73 -9.596 8.349 -1.439 1.00 34.14 H new ATOM 0 HG13 ILE A 73 -8.718 7.233 -2.467 1.00 34.14 H new ATOM 0 HG21 ILE A 73 -12.257 7.391 -1.159 1.00 71.51 H new ATOM 0 HG22 ILE A 73 -12.018 5.982 -0.098 1.00 71.51 H new ATOM 0 HG23 ILE A 73 -11.130 7.492 0.215 1.00 71.51 H new ATOM 0 HD11 ILE A 73 -9.932 8.880 -3.798 1.00 44.12 H new ATOM 0 HD12 ILE A 73 -10.573 7.246 -4.088 1.00 44.12 H new ATOM 0 HD13 ILE A 73 -11.465 8.379 -3.045 1.00 44.12 H new ATOM 1189 N MET A 74 -10.429 3.404 -0.767 1.00 41.24 N ATOM 1190 CA MET A 74 -11.125 2.238 -0.240 1.00 71.13 C ATOM 1191 C MET A 74 -10.203 1.410 0.661 1.00 65.53 C ATOM 1192 O MET A 74 -10.635 0.918 1.701 1.00 62.15 O ATOM 1193 CB MET A 74 -11.692 1.360 -1.365 1.00 62.52 C ATOM 1194 CG MET A 74 -10.635 0.718 -2.233 1.00 21.21 C ATOM 1195 SD MET A 74 -11.249 -0.704 -3.141 1.00 72.54 S ATOM 1196 CE MET A 74 -9.803 -1.744 -3.036 1.00 2.10 C ATOM 0 H MET A 74 -10.283 3.393 -1.776 1.00 41.24 H new ATOM 0 HA MET A 74 -11.961 2.605 0.356 1.00 71.13 H new ATOM 0 HB2 MET A 74 -12.311 0.578 -0.925 1.00 62.52 H new ATOM 0 HB3 MET A 74 -12.344 1.967 -1.993 1.00 62.52 H new ATOM 0 HG2 MET A 74 -10.253 1.456 -2.938 1.00 21.21 H new ATOM 0 HG3 MET A 74 -9.796 0.410 -1.608 1.00 21.21 H new ATOM 0 HE1 MET A 74 -9.835 -2.492 -3.828 1.00 2.10 H new ATOM 0 HE2 MET A 74 -8.907 -1.134 -3.149 1.00 2.10 H new ATOM 0 HE3 MET A 74 -9.783 -2.242 -2.067 1.00 2.10 H new ATOM 1206 N LYS A 75 -8.935 1.272 0.269 1.00 74.11 N ATOM 1207 CA LYS A 75 -7.965 0.514 1.056 1.00 23.44 C ATOM 1208 C LYS A 75 -7.851 1.075 2.470 1.00 74.11 C ATOM 1209 O LYS A 75 -7.862 0.324 3.443 1.00 11.43 O ATOM 1210 CB LYS A 75 -6.594 0.535 0.378 1.00 64.21 C ATOM 1211 CG LYS A 75 -6.510 -0.306 -0.887 1.00 54.40 C ATOM 1212 CD LYS A 75 -5.256 0.021 -1.678 1.00 12.13 C ATOM 1213 CE LYS A 75 -5.106 -0.859 -2.913 1.00 2.22 C ATOM 1214 NZ LYS A 75 -4.671 -2.242 -2.581 1.00 72.02 N ATOM 0 H LYS A 75 -8.558 1.676 -0.588 1.00 74.11 H new ATOM 0 HA LYS A 75 -8.316 -0.516 1.119 1.00 23.44 H new ATOM 0 HB2 LYS A 75 -6.338 1.566 0.133 1.00 64.21 H new ATOM 0 HB3 LYS A 75 -5.845 0.181 1.087 1.00 64.21 H new ATOM 0 HG2 LYS A 75 -6.513 -1.364 -0.625 1.00 54.40 H new ATOM 0 HG3 LYS A 75 -7.390 -0.128 -1.505 1.00 54.40 H new ATOM 0 HD2 LYS A 75 -5.283 1.068 -1.981 1.00 12.13 H new ATOM 0 HD3 LYS A 75 -4.383 -0.103 -1.038 1.00 12.13 H new ATOM 0 HE2 LYS A 75 -6.057 -0.899 -3.444 1.00 2.22 H new ATOM 0 HE3 LYS A 75 -4.382 -0.407 -3.591 1.00 2.22 H new ATOM 0 HZ1 LYS A 75 -4.114 -2.629 -3.369 1.00 72.02 H new ATOM 0 HZ2 LYS A 75 -4.088 -2.225 -1.720 1.00 72.02 H new ATOM 0 HZ3 LYS A 75 -5.507 -2.840 -2.421 1.00 72.02 H new ATOM 1228 N GLN A 76 -7.768 2.397 2.570 1.00 2.02 N ATOM 1229 CA GLN A 76 -7.663 3.075 3.861 1.00 11.30 C ATOM 1230 C GLN A 76 -8.866 2.767 4.749 1.00 41.40 C ATOM 1231 O GLN A 76 -8.749 2.705 5.975 1.00 62.01 O ATOM 1232 CB GLN A 76 -7.546 4.587 3.653 1.00 35.22 C ATOM 1233 CG GLN A 76 -6.247 5.006 2.987 1.00 32.43 C ATOM 1234 CD GLN A 76 -5.028 4.632 3.806 1.00 64.13 C ATOM 1235 OE1 GLN A 76 -5.075 4.598 5.034 1.00 71.51 O ATOM 1236 NE2 GLN A 76 -3.925 4.349 3.131 1.00 24.22 N ATOM 0 H GLN A 76 -7.771 3.026 1.767 1.00 2.02 H new ATOM 0 HA GLN A 76 -6.767 2.707 4.361 1.00 11.30 H new ATOM 0 HB2 GLN A 76 -8.384 4.928 3.045 1.00 35.22 H new ATOM 0 HB3 GLN A 76 -7.628 5.086 4.618 1.00 35.22 H new ATOM 0 HG2 GLN A 76 -6.178 4.538 2.005 1.00 32.43 H new ATOM 0 HG3 GLN A 76 -6.256 6.084 2.826 1.00 32.43 H new ATOM 0 HE21 GLN A 76 -3.927 4.389 2.112 1.00 24.22 H new ATOM 0 HE22 GLN A 76 -3.074 4.091 3.630 1.00 24.22 H new ATOM 1245 N ARG A 77 -10.019 2.570 4.119 1.00 22.31 N ATOM 1246 CA ARG A 77 -11.250 2.267 4.838 1.00 32.41 C ATOM 1247 C ARG A 77 -11.128 0.973 5.638 1.00 35.30 C ATOM 1248 O ARG A 77 -11.139 1.003 6.873 1.00 74.54 O ATOM 1249 CB ARG A 77 -12.425 2.166 3.868 1.00 72.53 C ATOM 1250 CG ARG A 77 -12.730 3.462 3.144 1.00 43.11 C ATOM 1251 CD ARG A 77 -13.176 4.544 4.109 1.00 5.45 C ATOM 1252 NE ARG A 77 -14.382 4.157 4.834 1.00 4.11 N ATOM 1253 CZ ARG A 77 -15.552 4.782 4.725 1.00 43.05 C ATOM 1254 NH1 ARG A 77 -15.677 5.833 3.921 1.00 22.52 N ATOM 1255 NH2 ARG A 77 -16.593 4.353 5.423 1.00 31.23 N ATOM 0 H ARG A 77 -10.126 2.615 3.106 1.00 22.31 H new ATOM 0 HA ARG A 77 -11.429 3.084 5.537 1.00 32.41 H new ATOM 0 HB2 ARG A 77 -12.212 1.391 3.132 1.00 72.53 H new ATOM 0 HB3 ARG A 77 -13.312 1.849 4.417 1.00 72.53 H new ATOM 0 HG2 ARG A 77 -11.844 3.796 2.605 1.00 43.11 H new ATOM 0 HG3 ARG A 77 -13.509 3.291 2.401 1.00 43.11 H new ATOM 0 HD2 ARG A 77 -12.375 4.751 4.819 1.00 5.45 H new ATOM 0 HD3 ARG A 77 -13.362 5.467 3.560 1.00 5.45 H new ATOM 0 HE ARG A 77 -14.325 3.357 5.464 1.00 4.11 H new ATOM 0 HH11 ARG A 77 -14.875 6.163 3.385 1.00 22.52 H new ATOM 0 HH12 ARG A 77 -16.575 6.309 3.840 1.00 22.52 H new ATOM 0 HH21 ARG A 77 -16.496 3.547 6.041 1.00 31.23 H new ATOM 0 HH22 ARG A 77 -17.492 4.829 5.343 1.00 31.23 H new ATOM 1269 N LEU A 78 -11.012 -0.163 4.944 1.00 13.32 N ATOM 1270 CA LEU A 78 -10.917 -1.445 5.638 1.00 60.10 C ATOM 1271 C LEU A 78 -9.665 -1.494 6.491 1.00 55.41 C ATOM 1272 O LEU A 78 -9.666 -2.101 7.558 1.00 42.35 O ATOM 1273 CB LEU A 78 -10.876 -2.653 4.699 1.00 31.44 C ATOM 1274 CG LEU A 78 -11.701 -2.577 3.419 1.00 11.20 C ATOM 1275 CD1 LEU A 78 -10.868 -2.035 2.269 1.00 64.01 C ATOM 1276 CD2 LEU A 78 -12.229 -3.953 3.078 1.00 40.43 C ATOM 0 H LEU A 78 -10.982 -0.220 3.926 1.00 13.32 H new ATOM 0 HA LEU A 78 -11.822 -1.509 6.242 1.00 60.10 H new ATOM 0 HB2 LEU A 78 -9.837 -2.827 4.420 1.00 31.44 H new ATOM 0 HB3 LEU A 78 -11.206 -3.527 5.261 1.00 31.44 H new ATOM 0 HG LEU A 78 -12.537 -1.896 3.580 1.00 11.20 H new ATOM 0 HD11 LEU A 78 -11.478 -1.990 1.367 1.00 64.01 H new ATOM 0 HD12 LEU A 78 -10.513 -1.035 2.517 1.00 64.01 H new ATOM 0 HD13 LEU A 78 -10.014 -2.691 2.097 1.00 64.01 H new ATOM 0 HD21 LEU A 78 -12.819 -3.900 2.163 1.00 40.43 H new ATOM 0 HD22 LEU A 78 -11.393 -4.637 2.932 1.00 40.43 H new ATOM 0 HD23 LEU A 78 -12.856 -4.315 3.893 1.00 40.43 H new ATOM 1288 N LEU A 79 -8.594 -0.870 6.002 1.00 72.33 N ATOM 1289 CA LEU A 79 -7.329 -0.846 6.721 1.00 4.20 C ATOM 1290 C LEU A 79 -7.532 -0.422 8.157 1.00 4.41 C ATOM 1291 O LEU A 79 -7.240 -1.167 9.085 1.00 50.41 O ATOM 1292 CB LEU A 79 -6.340 0.116 6.075 1.00 72.41 C ATOM 1293 CG LEU A 79 -5.122 0.411 6.945 1.00 50.33 C ATOM 1294 CD1 LEU A 79 -4.131 -0.733 6.887 1.00 60.01 C ATOM 1295 CD2 LEU A 79 -4.480 1.725 6.557 1.00 30.32 C ATOM 0 H LEU A 79 -8.581 -0.375 5.110 1.00 72.33 H new ATOM 0 HA LEU A 79 -6.928 -1.859 6.685 1.00 4.20 H new ATOM 0 HB2 LEU A 79 -6.006 -0.302 5.126 1.00 72.41 H new ATOM 0 HB3 LEU A 79 -6.851 1.052 5.849 1.00 72.41 H new ATOM 0 HG LEU A 79 -5.457 0.507 7.978 1.00 50.33 H new ATOM 0 HD11 LEU A 79 -3.270 -0.501 7.515 1.00 60.01 H new ATOM 0 HD12 LEU A 79 -4.607 -1.645 7.246 1.00 60.01 H new ATOM 0 HD13 LEU A 79 -3.801 -0.877 5.858 1.00 60.01 H new ATOM 0 HD21 LEU A 79 -3.615 1.909 7.194 1.00 30.32 H new ATOM 0 HD22 LEU A 79 -4.161 1.681 5.516 1.00 30.32 H new ATOM 0 HD23 LEU A 79 -5.201 2.533 6.682 1.00 30.32 H new ATOM 1307 N LYS A 80 -8.056 0.774 8.326 1.00 72.10 N ATOM 1308 CA LYS A 80 -8.251 1.329 9.647 1.00 12.05 C ATOM 1309 C LYS A 80 -9.182 0.454 10.475 1.00 10.52 C ATOM 1310 O LYS A 80 -9.100 0.435 11.701 1.00 11.10 O ATOM 1311 CB LYS A 80 -8.804 2.747 9.565 1.00 53.15 C ATOM 1312 CG LYS A 80 -7.747 3.821 9.748 1.00 51.33 C ATOM 1313 CD LYS A 80 -7.106 3.743 11.131 1.00 4.54 C ATOM 1314 CE LYS A 80 -8.155 3.766 12.234 1.00 11.35 C ATOM 1315 NZ LYS A 80 -7.559 3.940 13.585 1.00 63.44 N ATOM 0 H LYS A 80 -8.355 1.381 7.563 1.00 72.10 H new ATOM 0 HA LYS A 80 -7.278 1.362 10.138 1.00 12.05 H new ATOM 0 HB2 LYS A 80 -9.287 2.885 8.598 1.00 53.15 H new ATOM 0 HB3 LYS A 80 -9.574 2.873 10.326 1.00 53.15 H new ATOM 0 HG2 LYS A 80 -6.979 3.711 8.983 1.00 51.33 H new ATOM 0 HG3 LYS A 80 -8.197 4.804 9.609 1.00 51.33 H new ATOM 0 HD2 LYS A 80 -6.515 2.830 11.208 1.00 4.54 H new ATOM 0 HD3 LYS A 80 -6.420 4.579 11.263 1.00 4.54 H new ATOM 0 HE2 LYS A 80 -8.859 4.576 12.044 1.00 11.35 H new ATOM 0 HE3 LYS A 80 -8.724 2.837 12.209 1.00 11.35 H new ATOM 0 HZ1 LYS A 80 -8.315 3.949 14.299 1.00 63.44 H new ATOM 0 HZ2 LYS A 80 -6.907 3.154 13.781 1.00 63.44 H new ATOM 0 HZ3 LYS A 80 -7.038 4.839 13.621 1.00 63.44 H new ATOM 1329 N LEU A 81 -10.055 -0.280 9.798 1.00 23.03 N ATOM 1330 CA LEU A 81 -10.985 -1.167 10.475 1.00 43.14 C ATOM 1331 C LEU A 81 -10.262 -2.385 11.031 1.00 45.33 C ATOM 1332 O LEU A 81 -10.570 -2.841 12.125 1.00 22.32 O ATOM 1333 CB LEU A 81 -12.106 -1.593 9.526 1.00 54.32 C ATOM 1334 CG LEU A 81 -12.975 -0.445 9.010 1.00 41.20 C ATOM 1335 CD1 LEU A 81 -14.029 -0.955 8.046 1.00 70.13 C ATOM 1336 CD2 LEU A 81 -13.628 0.289 10.168 1.00 21.03 C ATOM 0 H LEU A 81 -10.137 -0.277 8.781 1.00 23.03 H new ATOM 0 HA LEU A 81 -11.428 -0.625 11.310 1.00 43.14 H new ATOM 0 HB2 LEU A 81 -11.665 -2.109 8.673 1.00 54.32 H new ATOM 0 HB3 LEU A 81 -12.745 -2.312 10.039 1.00 54.32 H new ATOM 0 HG LEU A 81 -12.332 0.252 8.473 1.00 41.20 H new ATOM 0 HD11 LEU A 81 -14.634 -0.120 7.693 1.00 70.13 H new ATOM 0 HD12 LEU A 81 -13.543 -1.436 7.197 1.00 70.13 H new ATOM 0 HD13 LEU A 81 -14.668 -1.677 8.554 1.00 70.13 H new ATOM 0 HD21 LEU A 81 -14.243 1.103 9.783 1.00 21.03 H new ATOM 0 HD22 LEU A 81 -14.254 -0.403 10.731 1.00 21.03 H new ATOM 0 HD23 LEU A 81 -12.857 0.695 10.822 1.00 21.03 H new ATOM 1348 N LEU A 82 -9.291 -2.898 10.290 1.00 74.34 N ATOM 1349 CA LEU A 82 -8.526 -4.053 10.746 1.00 50.03 C ATOM 1350 C LEU A 82 -7.364 -3.624 11.641 1.00 42.54 C ATOM 1351 O LEU A 82 -6.899 -4.398 12.476 1.00 25.34 O ATOM 1352 CB LEU A 82 -8.032 -4.885 9.559 1.00 32.30 C ATOM 1353 CG LEU A 82 -7.212 -4.135 8.512 1.00 42.32 C ATOM 1354 CD1 LEU A 82 -5.718 -4.327 8.737 1.00 44.32 C ATOM 1355 CD2 LEU A 82 -7.611 -4.587 7.123 1.00 2.35 C ATOM 0 H LEU A 82 -9.014 -2.537 9.377 1.00 74.34 H new ATOM 0 HA LEU A 82 -9.189 -4.681 11.342 1.00 50.03 H new ATOM 0 HB2 LEU A 82 -7.429 -5.708 9.943 1.00 32.30 H new ATOM 0 HB3 LEU A 82 -8.897 -5.327 9.066 1.00 32.30 H new ATOM 0 HG LEU A 82 -7.422 -3.070 8.609 1.00 42.32 H new ATOM 0 HD11 LEU A 82 -5.162 -3.781 7.975 1.00 44.32 H new ATOM 0 HD12 LEU A 82 -5.447 -3.951 9.724 1.00 44.32 H new ATOM 0 HD13 LEU A 82 -5.474 -5.387 8.674 1.00 44.32 H new ATOM 0 HD21 LEU A 82 -7.022 -4.047 6.382 1.00 2.35 H new ATOM 0 HD22 LEU A 82 -7.429 -5.657 7.022 1.00 2.35 H new ATOM 0 HD23 LEU A 82 -8.670 -4.382 6.964 1.00 2.35 H new ATOM 1367 N GLU A 83 -6.891 -2.393 11.461 1.00 41.11 N ATOM 1368 CA GLU A 83 -5.877 -1.827 12.346 1.00 75.53 C ATOM 1369 C GLU A 83 -6.459 -1.599 13.736 1.00 44.24 C ATOM 1370 O GLU A 83 -5.881 -2.008 14.745 1.00 15.50 O ATOM 1371 CB GLU A 83 -5.358 -0.495 11.793 1.00 31.21 C ATOM 1372 CG GLU A 83 -4.587 -0.616 10.488 1.00 31.43 C ATOM 1373 CD GLU A 83 -3.247 -1.300 10.650 1.00 75.00 C ATOM 1374 OE1 GLU A 83 -2.288 -0.634 11.093 1.00 75.20 O ATOM 1375 OE2 GLU A 83 -3.137 -2.494 10.321 1.00 51.54 O ATOM 0 H GLU A 83 -7.193 -1.770 10.712 1.00 41.11 H new ATOM 0 HA GLU A 83 -5.050 -2.534 12.408 1.00 75.53 H new ATOM 0 HB2 GLU A 83 -6.204 0.176 11.641 1.00 31.21 H new ATOM 0 HB3 GLU A 83 -4.714 -0.031 12.540 1.00 31.21 H new ATOM 0 HG2 GLU A 83 -5.188 -1.173 9.769 1.00 31.43 H new ATOM 0 HG3 GLU A 83 -4.432 0.379 10.071 1.00 31.43 H new ATOM 1382 N ASP A 84 -7.622 -0.957 13.773 1.00 63.14 N ATOM 1383 CA ASP A 84 -8.262 -0.590 15.031 1.00 41.42 C ATOM 1384 C ASP A 84 -9.122 -1.733 15.547 1.00 35.11 C ATOM 1385 O ASP A 84 -9.549 -1.734 16.703 1.00 45.52 O ATOM 1386 CB ASP A 84 -9.129 0.654 14.838 1.00 63.13 C ATOM 1387 CG ASP A 84 -9.509 1.298 16.153 1.00 12.14 C ATOM 1388 OD1 ASP A 84 -8.606 1.814 16.843 1.00 14.41 O ATOM 1389 OD2 ASP A 84 -10.708 1.305 16.495 1.00 13.02 O ATOM 0 H ASP A 84 -8.143 -0.679 12.941 1.00 63.14 H new ATOM 0 HA ASP A 84 -7.482 -0.377 15.762 1.00 41.42 H new ATOM 0 HB2 ASP A 84 -8.592 1.377 14.224 1.00 63.13 H new ATOM 0 HB3 ASP A 84 -10.034 0.383 14.294 1.00 63.13 H new ATOM 1394 N LYS A 85 -9.370 -2.699 14.672 1.00 70.34 N ATOM 1395 CA LYS A 85 -10.196 -3.860 14.989 1.00 35.04 C ATOM 1396 C LYS A 85 -11.632 -3.430 15.261 1.00 54.11 C ATOM 1397 O LYS A 85 -12.244 -3.818 16.259 1.00 13.23 O ATOM 1398 CB LYS A 85 -9.608 -4.640 16.170 1.00 51.50 C ATOM 1399 CG LYS A 85 -8.182 -5.107 15.914 1.00 13.22 C ATOM 1400 CD LYS A 85 -8.114 -6.077 14.741 1.00 4.24 C ATOM 1401 CE LYS A 85 -8.636 -7.458 15.103 1.00 74.32 C ATOM 1402 NZ LYS A 85 -7.734 -8.155 16.054 1.00 51.20 N ATOM 0 H LYS A 85 -9.004 -2.701 13.720 1.00 70.34 H new ATOM 0 HA LYS A 85 -10.204 -4.529 14.128 1.00 35.04 H new ATOM 0 HB2 LYS A 85 -9.626 -4.011 17.060 1.00 51.50 H new ATOM 0 HB3 LYS A 85 -10.237 -5.505 16.378 1.00 51.50 H new ATOM 0 HG2 LYS A 85 -7.546 -4.245 15.712 1.00 13.22 H new ATOM 0 HG3 LYS A 85 -7.790 -5.589 16.809 1.00 13.22 H new ATOM 0 HD2 LYS A 85 -8.694 -5.678 13.909 1.00 4.24 H new ATOM 0 HD3 LYS A 85 -7.082 -6.159 14.400 1.00 4.24 H new ATOM 0 HE2 LYS A 85 -9.629 -7.368 15.543 1.00 74.32 H new ATOM 0 HE3 LYS A 85 -8.742 -8.056 14.198 1.00 74.32 H new ATOM 0 HZ1 LYS A 85 -7.985 -9.163 16.095 1.00 51.20 H new ATOM 0 HZ2 LYS A 85 -6.749 -8.056 15.734 1.00 51.20 H new ATOM 0 HZ3 LYS A 85 -7.835 -7.734 17.000 1.00 51.20 H new ATOM 1416 N SER A 86 -12.150 -2.607 14.361 1.00 74.01 N ATOM 1417 CA SER A 86 -13.531 -2.166 14.416 1.00 2.45 C ATOM 1418 C SER A 86 -14.432 -3.164 13.687 1.00 63.42 C ATOM 1419 O SER A 86 -14.130 -3.590 12.570 1.00 53.22 O ATOM 1420 CB SER A 86 -13.648 -0.778 13.791 1.00 21.02 C ATOM 1421 OG SER A 86 -12.729 0.121 14.388 1.00 4.15 O ATOM 0 H SER A 86 -11.623 -2.228 13.574 1.00 74.01 H new ATOM 0 HA SER A 86 -13.853 -2.113 15.456 1.00 2.45 H new ATOM 0 HB2 SER A 86 -13.460 -0.840 12.719 1.00 21.02 H new ATOM 0 HB3 SER A 86 -14.664 -0.403 13.915 1.00 21.02 H new ATOM 0 HG SER A 86 -12.819 1.004 13.973 1.00 4.15 H new ATOM 1427 N ASN A 87 -15.551 -3.508 14.312 1.00 11.01 N ATOM 1428 CA ASN A 87 -16.419 -4.584 13.829 1.00 34.02 C ATOM 1429 C ASN A 87 -17.152 -4.221 12.538 1.00 13.44 C ATOM 1430 O ASN A 87 -17.909 -5.027 12.011 1.00 2.34 O ATOM 1431 CB ASN A 87 -17.443 -4.968 14.903 1.00 51.03 C ATOM 1432 CG ASN A 87 -18.447 -3.867 15.186 1.00 10.10 C ATOM 1433 OD1 ASN A 87 -19.515 -3.812 14.573 1.00 44.33 O ATOM 1434 ND2 ASN A 87 -18.121 -2.997 16.126 1.00 51.52 N ATOM 0 H ASN A 87 -15.884 -3.055 15.163 1.00 11.01 H new ATOM 0 HA ASN A 87 -15.768 -5.431 13.611 1.00 34.02 H new ATOM 0 HB2 ASN A 87 -17.975 -5.865 14.585 1.00 51.03 H new ATOM 0 HB3 ASN A 87 -16.918 -5.219 15.825 1.00 51.03 H new ATOM 0 HD21 ASN A 87 -18.764 -2.243 16.369 1.00 51.52 H new ATOM 0 HD22 ASN A 87 -17.226 -3.079 16.609 1.00 51.52 H new ATOM 1441 N LEU A 88 -16.917 -3.030 12.017 1.00 24.24 N ATOM 1442 CA LEU A 88 -17.595 -2.598 10.797 1.00 1.53 C ATOM 1443 C LEU A 88 -17.235 -3.496 9.618 1.00 41.55 C ATOM 1444 O LEU A 88 -18.070 -3.769 8.757 1.00 24.24 O ATOM 1445 CB LEU A 88 -17.271 -1.142 10.466 1.00 21.53 C ATOM 1446 CG LEU A 88 -17.801 -0.107 11.464 1.00 44.43 C ATOM 1447 CD1 LEU A 88 -19.211 -0.465 11.914 1.00 3.33 C ATOM 1448 CD2 LEU A 88 -16.871 0.026 12.659 1.00 30.12 C ATOM 0 H LEU A 88 -16.270 -2.347 12.411 1.00 24.24 H new ATOM 0 HA LEU A 88 -18.667 -2.678 10.979 1.00 1.53 H new ATOM 0 HB2 LEU A 88 -16.188 -1.035 10.398 1.00 21.53 H new ATOM 0 HB3 LEU A 88 -17.676 -0.912 9.481 1.00 21.53 H new ATOM 0 HG LEU A 88 -17.838 0.858 10.959 1.00 44.43 H new ATOM 0 HD11 LEU A 88 -19.568 0.283 12.622 1.00 3.33 H new ATOM 0 HD12 LEU A 88 -19.874 -0.491 11.049 1.00 3.33 H new ATOM 0 HD13 LEU A 88 -19.202 -1.444 12.394 1.00 3.33 H new ATOM 0 HD21 LEU A 88 -17.271 0.767 13.351 1.00 30.12 H new ATOM 0 HD22 LEU A 88 -16.789 -0.936 13.165 1.00 30.12 H new ATOM 0 HD23 LEU A 88 -15.885 0.343 12.319 1.00 30.12 H new ATOM 1460 N LEU A 89 -15.993 -3.958 9.584 1.00 3.44 N ATOM 1461 CA LEU A 89 -15.567 -4.895 8.551 1.00 52.33 C ATOM 1462 C LEU A 89 -15.393 -6.288 9.138 1.00 45.22 C ATOM 1463 O LEU A 89 -15.357 -7.281 8.420 1.00 21.15 O ATOM 1464 CB LEU A 89 -14.253 -4.441 7.902 1.00 20.21 C ATOM 1465 CG LEU A 89 -13.545 -5.511 7.080 1.00 71.45 C ATOM 1466 CD1 LEU A 89 -14.285 -5.788 5.783 1.00 50.34 C ATOM 1467 CD2 LEU A 89 -12.108 -5.106 6.830 1.00 1.11 C ATOM 0 H LEU A 89 -15.267 -3.703 10.253 1.00 3.44 H new ATOM 0 HA LEU A 89 -16.342 -4.921 7.785 1.00 52.33 H new ATOM 0 HB2 LEU A 89 -14.458 -3.585 7.259 1.00 20.21 H new ATOM 0 HB3 LEU A 89 -13.577 -4.097 8.685 1.00 20.21 H new ATOM 0 HG LEU A 89 -13.542 -6.442 7.647 1.00 71.45 H new ATOM 0 HD11 LEU A 89 -13.755 -6.556 5.219 1.00 50.34 H new ATOM 0 HD12 LEU A 89 -15.294 -6.133 6.007 1.00 50.34 H new ATOM 0 HD13 LEU A 89 -14.337 -4.874 5.191 1.00 50.34 H new ATOM 0 HD21 LEU A 89 -11.610 -5.877 6.242 1.00 1.11 H new ATOM 0 HD22 LEU A 89 -12.086 -4.162 6.285 1.00 1.11 H new ATOM 0 HD23 LEU A 89 -11.592 -4.987 7.783 1.00 1.11 H new ATOM 1479 N LEU A 90 -15.321 -6.346 10.451 1.00 53.40 N ATOM 1480 CA LEU A 90 -14.903 -7.556 11.147 1.00 41.45 C ATOM 1481 C LEU A 90 -16.022 -8.165 11.995 1.00 41.13 C ATOM 1482 O LEU A 90 -15.756 -8.986 12.872 1.00 11.21 O ATOM 1483 CB LEU A 90 -13.718 -7.208 12.044 1.00 74.33 C ATOM 1484 CG LEU A 90 -12.639 -6.358 11.373 1.00 13.24 C ATOM 1485 CD1 LEU A 90 -11.699 -5.782 12.409 1.00 42.14 C ATOM 1486 CD2 LEU A 90 -11.868 -7.174 10.352 1.00 50.34 C ATOM 0 H LEU A 90 -15.548 -5.565 11.067 1.00 53.40 H new ATOM 0 HA LEU A 90 -14.631 -8.300 10.399 1.00 41.45 H new ATOM 0 HB2 LEU A 90 -14.087 -6.677 12.921 1.00 74.33 H new ATOM 0 HB3 LEU A 90 -13.264 -8.133 12.399 1.00 74.33 H new ATOM 0 HG LEU A 90 -13.128 -5.535 10.852 1.00 13.24 H new ATOM 0 HD11 LEU A 90 -10.937 -5.180 11.914 1.00 42.14 H new ATOM 0 HD12 LEU A 90 -12.261 -5.157 13.103 1.00 42.14 H new ATOM 0 HD13 LEU A 90 -11.220 -6.593 12.957 1.00 42.14 H new ATOM 0 HD21 LEU A 90 -11.106 -6.549 9.887 1.00 50.34 H new ATOM 0 HD22 LEU A 90 -11.391 -8.020 10.847 1.00 50.34 H new ATOM 0 HD23 LEU A 90 -12.553 -7.540 9.587 1.00 50.34 H new ATOM 1498 N TYR A 91 -17.266 -7.786 11.726 1.00 15.02 N ATOM 1499 CA TYR A 91 -18.392 -8.263 12.529 1.00 64.25 C ATOM 1500 C TYR A 91 -18.641 -9.755 12.325 1.00 15.04 C ATOM 1501 O TYR A 91 -18.125 -10.370 11.384 1.00 22.23 O ATOM 1502 CB TYR A 91 -19.667 -7.469 12.217 1.00 41.32 C ATOM 1503 CG TYR A 91 -20.169 -7.599 10.794 1.00 63.43 C ATOM 1504 CD1 TYR A 91 -20.946 -8.685 10.406 1.00 21.53 C ATOM 1505 CD2 TYR A 91 -19.880 -6.626 9.844 1.00 44.15 C ATOM 1506 CE1 TYR A 91 -21.414 -8.796 9.114 1.00 14.41 C ATOM 1507 CE2 TYR A 91 -20.349 -6.732 8.549 1.00 1.34 C ATOM 1508 CZ TYR A 91 -21.115 -7.819 8.191 1.00 32.41 C ATOM 1509 OH TYR A 91 -21.583 -7.935 6.902 1.00 31.43 O ATOM 0 H TYR A 91 -17.522 -7.156 10.966 1.00 15.02 H new ATOM 0 HA TYR A 91 -18.127 -8.105 13.574 1.00 64.25 H new ATOM 0 HB2 TYR A 91 -20.455 -7.795 12.896 1.00 41.32 H new ATOM 0 HB3 TYR A 91 -19.481 -6.415 12.426 1.00 41.32 H new ATOM 0 HD1 TYR A 91 -21.186 -9.452 11.127 1.00 21.53 H new ATOM 0 HD2 TYR A 91 -19.279 -5.773 10.123 1.00 44.15 H new ATOM 0 HE1 TYR A 91 -22.014 -9.647 8.827 1.00 14.41 H new ATOM 0 HE2 TYR A 91 -20.117 -5.968 7.822 1.00 1.34 H new ATOM 0 HH TYR A 91 -21.286 -7.164 6.375 1.00 31.43 H new ATOM 1519 N SER A 92 -19.457 -10.322 13.199 1.00 3.32 N ATOM 1520 CA SER A 92 -19.757 -11.740 13.163 1.00 61.34 C ATOM 1521 C SER A 92 -20.992 -12.013 12.308 1.00 2.43 C ATOM 1522 O SER A 92 -22.017 -11.348 12.436 1.00 35.34 O ATOM 1523 CB SER A 92 -19.963 -12.256 14.587 1.00 64.21 C ATOM 1524 OG SER A 92 -18.822 -11.984 15.388 1.00 60.34 O ATOM 0 H SER A 92 -19.927 -9.814 13.948 1.00 3.32 H new ATOM 0 HA SER A 92 -18.917 -12.267 12.711 1.00 61.34 H new ATOM 0 HB2 SER A 92 -20.843 -11.786 15.026 1.00 64.21 H new ATOM 0 HB3 SER A 92 -20.152 -13.329 14.567 1.00 64.21 H new ATOM 0 HG SER A 92 -18.972 -12.320 16.296 1.00 60.34 H new ATOM 1530 N CYS A 93 -20.872 -12.992 11.431 1.00 5.14 N ATOM 1531 CA CYS A 93 -21.955 -13.373 10.533 1.00 12.32 C ATOM 1532 C CYS A 93 -22.112 -14.883 10.530 1.00 10.12 C ATOM 1533 O CYS A 93 -21.288 -15.588 11.104 1.00 24.04 O ATOM 1534 CB CYS A 93 -21.636 -12.932 9.122 1.00 14.41 C ATOM 1535 SG CYS A 93 -20.375 -13.981 8.336 1.00 61.31 S ATOM 0 H CYS A 93 -20.024 -13.547 11.318 1.00 5.14 H new ATOM 0 HA CYS A 93 -22.873 -12.896 10.877 1.00 12.32 H new ATOM 0 HB2 CYS A 93 -22.547 -12.953 8.523 1.00 14.41 H new ATOM 0 HB3 CYS A 93 -21.288 -11.899 9.137 1.00 14.41 H new ATOM 0 HG CYS A 93 -20.857 -14.494 7.243 1.00 61.31 H new ATOM 1540 N ASN A 94 -23.130 -15.376 9.841 1.00 41.04 N ATOM 1541 CA ASN A 94 -23.356 -16.810 9.747 1.00 30.01 C ATOM 1542 C ASN A 94 -23.107 -17.322 8.326 1.00 12.12 C ATOM 1543 O ASN A 94 -24.052 -17.600 7.589 1.00 4.33 O ATOM 1544 CB ASN A 94 -24.789 -17.155 10.174 1.00 40.33 C ATOM 1545 CG ASN A 94 -25.014 -18.648 10.371 1.00 51.41 C ATOM 1546 OD1 ASN A 94 -24.323 -19.487 9.788 1.00 72.42 O ATOM 1547 ND2 ASN A 94 -25.995 -18.995 11.191 1.00 43.34 N ATOM 0 H ASN A 94 -23.811 -14.806 9.340 1.00 41.04 H new ATOM 0 HA ASN A 94 -22.650 -17.299 10.418 1.00 30.01 H new ATOM 0 HB2 ASN A 94 -25.020 -16.634 11.103 1.00 40.33 H new ATOM 0 HB3 ASN A 94 -25.485 -16.786 9.420 1.00 40.33 H new ATOM 0 HD21 ASN A 94 -26.197 -19.981 11.356 1.00 43.34 H new ATOM 0 HD22 ASN A 94 -26.548 -18.276 11.658 1.00 43.34 H new ATOM 1554 N CYS A 95 -21.844 -17.396 7.909 1.00 10.53 N ATOM 1555 CA CYS A 95 -21.521 -18.127 6.693 1.00 31.02 C ATOM 1556 C CYS A 95 -21.155 -19.575 7.018 1.00 44.15 C ATOM 1557 O CYS A 95 -20.878 -20.378 6.130 1.00 54.40 O ATOM 1558 CB CYS A 95 -20.397 -17.446 5.928 1.00 50.23 C ATOM 1559 SG CYS A 95 -20.945 -15.937 5.081 1.00 55.12 S ATOM 0 H CYS A 95 -21.048 -16.969 8.384 1.00 10.53 H new ATOM 0 HA CYS A 95 -22.405 -18.130 6.056 1.00 31.02 H new ATOM 0 HB2 CYS A 95 -19.590 -17.199 6.618 1.00 50.23 H new ATOM 0 HB3 CYS A 95 -19.988 -18.141 5.195 1.00 50.23 H new ATOM 0 HG CYS A 95 -20.526 -15.954 3.850 1.00 55.12 H new