USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1075 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 14 TYR OH : rot -17:sc= 0.995 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 168:sc= 1.34 (180deg=-0.127) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.58 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -146:sc= 0.646 (180deg=0) USER MOD Single : A 8 SER OG : rot 28:sc= 0.0442 USER MOD Single : A 9 HIS : no HE2:sc= -5.96! C(o=-6!,f=-10!) USER MOD Single : A 10 ASN : amide:sc= -0.764 K(o=-0.76,f=-4.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.619 K(o=0.62,f=-3.4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -1.26 (180deg=-2.11!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot -171:sc= -2.41 USER MOD Single : A 56 SER OG : rot 180:sc= -0.517 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 68 THR OG1 : rot -63:sc= 0.764 USER MOD Single : A 71 SER OG : rot -150:sc= 0.954 USER MOD Single : A 76 ASN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 77 ASN : amide:sc= -3.69! C(o=-3.7!,f=-4.9!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 68:sc= 1.08 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 1.09 K(o=1.1,f=-1.3) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 135:sc= -0.13 (180deg=-0.495) USER MOD Single : A 106 THR OG1 : rot 77:sc= 1.12 USER MOD Single : A 107 TYR OH : rot -30:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.511 K(o=-0.51,f=-1.2) USER MOD Single : A 112 LYS NZ :NH3+ 148:sc= 1.24 (180deg=0.206) USER MOD Single : A 117 MET CE :methyl 167:sc= -2.86! (180deg=-3.31!) USER MOD Single : A 130 HIS : no HE2:sc= -1.02 K(o=-1,f=-2) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl -163:sc= -1.01 (180deg=-1.9) USER MOD Single : A 145 ASN : amide:sc= 1.23 K(o=1.2,f=-0.15) USER MOD Single : A 146 LYS NZ :NH3+ -148:sc= 0.216 (180deg=-2.78!) USER MOD Single : A 147 ASN : amide:sc= -0.918 K(o=-0.92,f=-1.8) USER MOD Single : A 149 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 8.154 -12.765 4.451 1.00 73.51 N ATOM 94 CA SER A 8 8.451 -12.382 3.099 1.00 73.22 C ATOM 95 C SER A 8 7.793 -11.026 2.877 1.00 64.01 C ATOM 96 O SER A 8 6.573 -10.911 2.837 1.00 13.12 O ATOM 97 CB SER A 8 7.935 -13.411 2.097 1.00 74.32 C ATOM 98 OG SER A 8 8.513 -14.696 2.329 1.00 14.34 O ATOM 0 HA SER A 8 9.529 -12.326 2.946 1.00 73.22 H new ATOM 0 HB2 SER A 8 6.850 -13.480 2.169 1.00 74.32 H new ATOM 0 HB3 SER A 8 8.167 -13.083 1.084 1.00 74.32 H new ATOM 0 HG SER A 8 8.746 -14.783 3.277 1.00 14.34 H new ATOM 104 N HIS A 9 8.597 -10.008 2.795 1.00 61.04 N ATOM 105 CA HIS A 9 8.104 -8.645 2.739 1.00 12.33 C ATOM 106 C HIS A 9 8.203 -8.104 1.339 1.00 55.43 C ATOM 107 O HIS A 9 9.024 -8.574 0.529 1.00 34.24 O ATOM 108 CB HIS A 9 8.912 -7.740 3.693 1.00 33.34 C ATOM 109 CG HIS A 9 8.882 -8.148 5.149 1.00 74.13 C ATOM 110 ND1 HIS A 9 8.907 -7.264 6.191 1.00 4.01 N ATOM 111 CD2 HIS A 9 8.944 -9.357 5.711 1.00 32.12 C ATOM 112 CE1 HIS A 9 9.014 -7.932 7.324 1.00 34.03 C ATOM 113 NE2 HIS A 9 9.021 -9.203 7.051 1.00 3.11 N ATOM 0 H HIS A 9 9.613 -10.088 2.764 1.00 61.04 H new ATOM 0 HA HIS A 9 7.059 -8.652 3.047 1.00 12.33 H new ATOM 0 HB2 HIS A 9 9.949 -7.722 3.359 1.00 33.34 H new ATOM 0 HB3 HIS A 9 8.533 -6.722 3.610 1.00 33.34 H new ATOM 0 HD1 HIS A 9 8.852 -6.249 6.106 1.00 4.01 H new ATOM 0 HD2 HIS A 9 8.934 -10.299 5.184 1.00 32.12 H new ATOM 0 HE1 HIS A 9 9.084 -7.497 8.310 1.00 34.03 H new ATOM 122 N ASN A 10 7.381 -7.132 1.060 1.00 13.24 N ATOM 123 CA ASN A 10 7.332 -6.477 -0.231 1.00 4.12 C ATOM 124 C ASN A 10 7.265 -4.993 0.044 1.00 25.11 C ATOM 125 O ASN A 10 6.490 -4.565 0.897 1.00 20.24 O ATOM 126 CB ASN A 10 6.057 -6.871 -0.982 1.00 71.43 C ATOM 127 CG ASN A 10 5.844 -8.362 -1.148 1.00 15.55 C ATOM 128 OD1 ASN A 10 6.289 -8.975 -2.118 1.00 50.12 O ATOM 129 ND2 ASN A 10 5.151 -8.946 -0.209 1.00 3.34 N ATOM 0 H ASN A 10 6.710 -6.760 1.732 1.00 13.24 H new ATOM 0 HA ASN A 10 8.198 -6.757 -0.830 1.00 4.12 H new ATOM 0 HB2 ASN A 10 5.199 -6.454 -0.454 1.00 71.43 H new ATOM 0 HB3 ASN A 10 6.079 -6.411 -1.970 1.00 71.43 H new ATOM 0 HD21 ASN A 10 4.961 -9.947 -0.263 1.00 3.34 H new ATOM 0 HD22 ASN A 10 4.800 -8.402 0.579 1.00 3.34 H new ATOM 136 N VAL A 11 8.053 -4.212 -0.632 1.00 53.40 N ATOM 137 CA VAL A 11 8.072 -2.774 -0.376 1.00 11.13 C ATOM 138 C VAL A 11 7.569 -1.992 -1.584 1.00 23.33 C ATOM 139 O VAL A 11 8.130 -2.096 -2.663 1.00 63.11 O ATOM 140 CB VAL A 11 9.500 -2.284 -0.014 1.00 41.21 C ATOM 141 CG1 VAL A 11 9.507 -0.793 0.326 1.00 72.20 C ATOM 142 CG2 VAL A 11 10.089 -3.096 1.125 1.00 10.14 C ATOM 0 H VAL A 11 8.692 -4.527 -1.362 1.00 53.40 H new ATOM 0 HA VAL A 11 7.408 -2.595 0.470 1.00 11.13 H new ATOM 0 HB VAL A 11 10.127 -2.432 -0.893 1.00 41.21 H new ATOM 0 HG11 VAL A 11 10.521 -0.481 0.575 1.00 72.20 H new ATOM 0 HG12 VAL A 11 9.152 -0.222 -0.532 1.00 72.20 H new ATOM 0 HG13 VAL A 11 8.852 -0.611 1.178 1.00 72.20 H new ATOM 0 HG21 VAL A 11 11.089 -2.728 1.355 1.00 10.14 H new ATOM 0 HG22 VAL A 11 9.455 -2.999 2.007 1.00 10.14 H new ATOM 0 HG23 VAL A 11 10.146 -4.145 0.833 1.00 10.14 H new ATOM 152 N PHE A 12 6.524 -1.222 -1.401 1.00 51.12 N ATOM 153 CA PHE A 12 5.998 -0.390 -2.467 1.00 4.44 C ATOM 154 C PHE A 12 6.681 0.966 -2.429 1.00 42.15 C ATOM 155 O PHE A 12 6.356 1.816 -1.591 1.00 64.41 O ATOM 156 CB PHE A 12 4.456 -0.223 -2.359 1.00 21.24 C ATOM 157 CG PHE A 12 3.827 0.672 -3.424 1.00 54.25 C ATOM 158 CD1 PHE A 12 3.721 2.038 -3.221 1.00 61.42 C ATOM 159 CD2 PHE A 12 3.348 0.147 -4.625 1.00 43.23 C ATOM 160 CE1 PHE A 12 3.170 2.852 -4.175 1.00 75.34 C ATOM 161 CE2 PHE A 12 2.791 0.963 -5.575 1.00 23.34 C ATOM 162 CZ PHE A 12 2.705 2.313 -5.352 1.00 5.14 C ATOM 0 H PHE A 12 6.015 -1.151 -0.520 1.00 51.12 H new ATOM 0 HA PHE A 12 6.204 -0.880 -3.419 1.00 4.44 H new ATOM 0 HB2 PHE A 12 3.994 -1.209 -2.416 1.00 21.24 H new ATOM 0 HB3 PHE A 12 4.218 0.185 -1.377 1.00 21.24 H new ATOM 0 HD1 PHE A 12 4.078 2.468 -2.297 1.00 61.42 H new ATOM 0 HD2 PHE A 12 3.417 -0.915 -4.808 1.00 43.23 H new ATOM 0 HE1 PHE A 12 3.101 3.916 -4.003 1.00 75.34 H new ATOM 0 HE2 PHE A 12 2.420 0.543 -6.498 1.00 23.34 H new ATOM 0 HZ PHE A 12 2.270 2.956 -6.103 1.00 5.14 H new ATOM 172 N VAL A 13 7.659 1.135 -3.266 1.00 3.21 N ATOM 173 CA VAL A 13 8.327 2.397 -3.398 1.00 23.14 C ATOM 174 C VAL A 13 8.599 2.656 -4.869 1.00 44.30 C ATOM 175 O VAL A 13 9.107 1.787 -5.582 1.00 62.22 O ATOM 176 CB VAL A 13 9.634 2.487 -2.541 1.00 63.23 C ATOM 177 CG1 VAL A 13 10.653 1.444 -2.948 1.00 12.44 C ATOM 178 CG2 VAL A 13 10.238 3.888 -2.598 1.00 5.35 C ATOM 0 H VAL A 13 8.018 0.402 -3.878 1.00 3.21 H new ATOM 0 HA VAL A 13 7.673 3.175 -3.005 1.00 23.14 H new ATOM 0 HB VAL A 13 9.351 2.280 -1.509 1.00 63.23 H new ATOM 0 HG11 VAL A 13 11.543 1.544 -2.327 1.00 12.44 H new ATOM 0 HG12 VAL A 13 10.228 0.449 -2.816 1.00 12.44 H new ATOM 0 HG13 VAL A 13 10.922 1.587 -3.994 1.00 12.44 H new ATOM 0 HG21 VAL A 13 11.144 3.918 -1.993 1.00 5.35 H new ATOM 0 HG22 VAL A 13 10.482 4.137 -3.631 1.00 5.35 H new ATOM 0 HG23 VAL A 13 9.519 4.610 -2.211 1.00 5.35 H new ATOM 188 N TYR A 14 8.243 3.806 -5.338 1.00 3.31 N ATOM 189 CA TYR A 14 8.443 4.094 -6.719 1.00 41.33 C ATOM 190 C TYR A 14 9.598 5.049 -6.888 1.00 4.54 C ATOM 191 O TYR A 14 9.427 6.275 -6.870 1.00 13.21 O ATOM 192 CB TYR A 14 7.157 4.609 -7.375 1.00 51.14 C ATOM 193 CG TYR A 14 7.230 4.745 -8.881 1.00 12.52 C ATOM 194 CD1 TYR A 14 7.390 3.628 -9.683 1.00 41.31 C ATOM 195 CD2 TYR A 14 7.130 5.977 -9.497 1.00 31.04 C ATOM 196 CE1 TYR A 14 7.445 3.732 -11.050 1.00 34.14 C ATOM 197 CE2 TYR A 14 7.179 6.091 -10.868 1.00 65.42 C ATOM 198 CZ TYR A 14 7.340 4.964 -11.637 1.00 14.41 C ATOM 199 OH TYR A 14 7.378 5.069 -13.004 1.00 30.32 O ATOM 0 H TYR A 14 7.816 4.555 -4.792 1.00 3.31 H new ATOM 0 HA TYR A 14 8.700 3.170 -7.236 1.00 41.33 H new ATOM 0 HB2 TYR A 14 6.340 3.933 -7.123 1.00 51.14 H new ATOM 0 HB3 TYR A 14 6.910 5.580 -6.947 1.00 51.14 H new ATOM 0 HD1 TYR A 14 7.473 2.654 -9.223 1.00 41.31 H new ATOM 0 HD2 TYR A 14 7.012 6.865 -8.894 1.00 31.04 H new ATOM 0 HE1 TYR A 14 7.570 2.848 -11.658 1.00 34.14 H new ATOM 0 HE2 TYR A 14 7.091 7.060 -11.336 1.00 65.42 H new ATOM 0 HH TYR A 14 7.748 4.246 -13.385 1.00 30.32 H new ATOM 209 N GLY A 15 10.777 4.476 -6.954 1.00 75.44 N ATOM 210 CA GLY A 15 11.968 5.246 -7.146 1.00 12.33 C ATOM 211 C GLY A 15 13.169 4.632 -6.456 1.00 53.20 C ATOM 212 O GLY A 15 13.033 3.970 -5.422 1.00 34.22 O ATOM 0 H GLY A 15 10.930 3.471 -6.876 1.00 75.44 H new ATOM 0 HA2 GLY A 15 12.172 5.336 -8.213 1.00 12.33 H new ATOM 0 HA3 GLY A 15 11.810 6.255 -6.766 1.00 12.33 H new ATOM 216 N SER A 16 14.323 4.817 -7.070 1.00 30.03 N ATOM 217 CA SER A 16 15.636 4.427 -6.549 1.00 65.25 C ATOM 218 C SER A 16 15.870 2.887 -6.529 1.00 42.11 C ATOM 219 O SER A 16 16.637 2.368 -7.340 1.00 72.03 O ATOM 220 CB SER A 16 15.904 5.082 -5.173 1.00 73.41 C ATOM 221 OG SER A 16 17.234 4.867 -4.746 1.00 42.53 O ATOM 0 H SER A 16 14.382 5.262 -7.986 1.00 30.03 H new ATOM 0 HA SER A 16 16.374 4.812 -7.253 1.00 65.25 H new ATOM 0 HB2 SER A 16 15.709 6.153 -5.235 1.00 73.41 H new ATOM 0 HB3 SER A 16 15.214 4.675 -4.435 1.00 73.41 H new ATOM 0 HG SER A 16 17.371 5.295 -3.875 1.00 42.53 H new ATOM 227 N ILE A 17 15.162 2.159 -5.658 1.00 41.23 N ATOM 228 CA ILE A 17 15.382 0.703 -5.481 1.00 4.43 C ATOM 229 C ILE A 17 14.759 -0.085 -6.661 1.00 73.43 C ATOM 230 O ILE A 17 14.780 -1.312 -6.708 1.00 60.43 O ATOM 231 CB ILE A 17 14.776 0.210 -4.135 1.00 15.33 C ATOM 232 CG1 ILE A 17 15.218 1.132 -3.017 1.00 55.42 C ATOM 233 CG2 ILE A 17 15.333 -1.189 -3.825 1.00 70.31 C ATOM 234 CD1 ILE A 17 14.481 0.946 -1.719 1.00 31.45 C ATOM 0 H ILE A 17 14.431 2.546 -5.061 1.00 41.23 H new ATOM 0 HA ILE A 17 16.457 0.524 -5.463 1.00 4.43 H new ATOM 0 HB ILE A 17 13.689 0.194 -4.213 1.00 15.33 H new ATOM 0 HG12 ILE A 17 16.283 0.980 -2.839 1.00 55.42 H new ATOM 0 HG13 ILE A 17 15.093 2.164 -3.345 1.00 55.42 H new ATOM 0 HG21 ILE A 17 14.916 -1.546 -2.883 1.00 70.31 H new ATOM 0 HG22 ILE A 17 15.060 -1.875 -4.627 1.00 70.31 H new ATOM 0 HG23 ILE A 17 16.419 -1.139 -3.745 1.00 70.31 H new ATOM 0 HD11 ILE A 17 14.865 1.648 -0.979 1.00 31.45 H new ATOM 0 HD12 ILE A 17 13.418 1.128 -1.875 1.00 31.45 H new ATOM 0 HD13 ILE A 17 14.626 -0.073 -1.361 1.00 31.45 H new ATOM 246 N LEU A 18 14.219 0.655 -7.623 1.00 44.21 N ATOM 247 CA LEU A 18 13.661 0.066 -8.827 1.00 74.45 C ATOM 248 C LEU A 18 14.784 -0.534 -9.655 1.00 53.32 C ATOM 249 O LEU A 18 14.567 -1.425 -10.479 1.00 51.14 O ATOM 250 CB LEU A 18 12.914 1.114 -9.658 1.00 62.31 C ATOM 251 CG LEU A 18 11.746 1.828 -8.974 1.00 33.34 C ATOM 252 CD1 LEU A 18 11.081 2.791 -9.937 1.00 74.44 C ATOM 253 CD2 LEU A 18 10.736 0.831 -8.433 1.00 14.12 C ATOM 0 H LEU A 18 14.157 1.673 -7.588 1.00 44.21 H new ATOM 0 HA LEU A 18 12.951 -0.709 -8.539 1.00 74.45 H new ATOM 0 HB2 LEU A 18 13.632 1.868 -9.980 1.00 62.31 H new ATOM 0 HB3 LEU A 18 12.536 0.629 -10.558 1.00 62.31 H new ATOM 0 HG LEU A 18 12.141 2.394 -8.131 1.00 33.34 H new ATOM 0 HD11 LEU A 18 10.252 3.292 -9.437 1.00 74.44 H new ATOM 0 HD12 LEU A 18 11.807 3.534 -10.268 1.00 74.44 H new ATOM 0 HD13 LEU A 18 10.705 2.241 -10.800 1.00 74.44 H new ATOM 0 HD21 LEU A 18 9.917 1.367 -7.952 1.00 14.12 H new ATOM 0 HD22 LEU A 18 10.344 0.229 -9.253 1.00 14.12 H new ATOM 0 HD23 LEU A 18 11.221 0.181 -7.705 1.00 14.12 H new ATOM 265 N GLU A 19 15.984 -0.028 -9.429 1.00 54.14 N ATOM 266 CA GLU A 19 17.158 -0.531 -10.072 1.00 13.43 C ATOM 267 C GLU A 19 17.657 -1.740 -9.293 1.00 2.34 C ATOM 268 O GLU A 19 17.958 -1.622 -8.096 1.00 33.53 O ATOM 269 CB GLU A 19 18.254 0.536 -10.100 1.00 3.11 C ATOM 270 CG GLU A 19 17.889 1.802 -10.848 1.00 32.55 C ATOM 271 CD GLU A 19 19.014 2.808 -10.842 1.00 71.21 C ATOM 272 OE1 GLU A 19 19.912 2.712 -11.703 1.00 35.22 O ATOM 273 OE2 GLU A 19 19.023 3.713 -9.986 1.00 31.52 O ATOM 0 H GLU A 19 16.159 0.747 -8.789 1.00 54.14 H new ATOM 0 HA GLU A 19 16.915 -0.808 -11.098 1.00 13.43 H new ATOM 0 HB2 GLU A 19 18.512 0.799 -9.074 1.00 3.11 H new ATOM 0 HB3 GLU A 19 19.147 0.107 -10.554 1.00 3.11 H new ATOM 0 HG2 GLU A 19 17.631 1.553 -11.877 1.00 32.55 H new ATOM 0 HG3 GLU A 19 17.003 2.247 -10.396 1.00 32.55 H new ATOM 280 N PRO A 20 17.727 -2.920 -9.943 1.00 44.13 N ATOM 281 CA PRO A 20 18.224 -4.163 -9.328 1.00 41.31 C ATOM 282 C PRO A 20 19.549 -3.967 -8.605 1.00 22.23 C ATOM 283 O PRO A 20 19.776 -4.556 -7.558 1.00 53.14 O ATOM 284 CB PRO A 20 18.409 -5.085 -10.525 1.00 12.41 C ATOM 285 CG PRO A 20 17.360 -4.647 -11.475 1.00 44.11 C ATOM 286 CD PRO A 20 17.286 -3.151 -11.332 1.00 13.34 C ATOM 0 HA PRO A 20 17.542 -4.545 -8.569 1.00 41.31 H new ATOM 0 HB2 PRO A 20 19.405 -4.986 -10.956 1.00 12.41 H new ATOM 0 HB3 PRO A 20 18.285 -6.132 -10.247 1.00 12.41 H new ATOM 0 HG2 PRO A 20 17.612 -4.931 -12.497 1.00 44.11 H new ATOM 0 HG3 PRO A 20 16.402 -5.111 -11.242 1.00 44.11 H new ATOM 0 HD2 PRO A 20 17.934 -2.646 -12.049 1.00 13.34 H new ATOM 0 HD3 PRO A 20 16.275 -2.780 -11.500 1.00 13.34 H new ATOM 294 N ALA A 21 20.403 -3.111 -9.162 1.00 74.25 N ATOM 295 CA ALA A 21 21.698 -2.803 -8.563 1.00 15.30 C ATOM 296 C ALA A 21 21.539 -2.198 -7.166 1.00 15.30 C ATOM 297 O ALA A 21 22.264 -2.542 -6.248 1.00 64.34 O ATOM 298 CB ALA A 21 22.492 -1.868 -9.462 1.00 4.43 C ATOM 0 H ALA A 21 20.218 -2.615 -10.034 1.00 74.25 H new ATOM 0 HA ALA A 21 22.247 -3.739 -8.459 1.00 15.30 H new ATOM 0 HB1 ALA A 21 23.455 -1.649 -9.000 1.00 4.43 H new ATOM 0 HB2 ALA A 21 22.654 -2.344 -10.429 1.00 4.43 H new ATOM 0 HB3 ALA A 21 21.937 -0.940 -9.602 1.00 4.43 H new ATOM 304 N VAL A 22 20.555 -1.330 -7.014 1.00 13.45 N ATOM 305 CA VAL A 22 20.290 -0.670 -5.744 1.00 3.42 C ATOM 306 C VAL A 22 19.731 -1.670 -4.743 1.00 74.30 C ATOM 307 O VAL A 22 20.093 -1.669 -3.566 1.00 54.50 O ATOM 308 CB VAL A 22 19.313 0.520 -5.913 1.00 54.04 C ATOM 309 CG1 VAL A 22 19.030 1.197 -4.572 1.00 32.21 C ATOM 310 CG2 VAL A 22 19.887 1.522 -6.888 1.00 1.42 C ATOM 0 H VAL A 22 19.918 -1.062 -7.764 1.00 13.45 H new ATOM 0 HA VAL A 22 21.234 -0.274 -5.370 1.00 3.42 H new ATOM 0 HB VAL A 22 18.371 0.135 -6.303 1.00 54.04 H new ATOM 0 HG11 VAL A 22 18.341 2.028 -4.722 1.00 32.21 H new ATOM 0 HG12 VAL A 22 18.584 0.476 -3.887 1.00 32.21 H new ATOM 0 HG13 VAL A 22 19.963 1.570 -4.149 1.00 32.21 H new ATOM 0 HG21 VAL A 22 19.195 2.356 -7.002 1.00 1.42 H new ATOM 0 HG22 VAL A 22 20.841 1.891 -6.511 1.00 1.42 H new ATOM 0 HG23 VAL A 22 20.040 1.042 -7.855 1.00 1.42 H new ATOM 320 N ALA A 23 18.876 -2.543 -5.212 1.00 41.02 N ATOM 321 CA ALA A 23 18.329 -3.576 -4.359 1.00 2.24 C ATOM 322 C ALA A 23 19.446 -4.538 -3.946 1.00 72.14 C ATOM 323 O ALA A 23 19.495 -5.014 -2.806 1.00 64.32 O ATOM 324 CB ALA A 23 17.214 -4.319 -5.068 1.00 23.40 C ATOM 0 H ALA A 23 18.542 -2.562 -6.176 1.00 41.02 H new ATOM 0 HA ALA A 23 17.907 -3.117 -3.465 1.00 2.24 H new ATOM 0 HB1 ALA A 23 16.816 -5.092 -4.410 1.00 23.40 H new ATOM 0 HB2 ALA A 23 16.420 -3.620 -5.329 1.00 23.40 H new ATOM 0 HB3 ALA A 23 17.604 -4.781 -5.975 1.00 23.40 H new ATOM 330 N ALA A 24 20.373 -4.764 -4.864 1.00 23.22 N ATOM 331 CA ALA A 24 21.496 -5.654 -4.645 1.00 3.32 C ATOM 332 C ALA A 24 22.543 -5.038 -3.723 1.00 40.53 C ATOM 333 O ALA A 24 23.474 -5.714 -3.300 1.00 72.02 O ATOM 334 CB ALA A 24 22.123 -6.079 -5.962 1.00 72.34 C ATOM 0 H ALA A 24 20.365 -4.331 -5.787 1.00 23.22 H new ATOM 0 HA ALA A 24 21.106 -6.542 -4.148 1.00 3.32 H new ATOM 0 HB1 ALA A 24 22.963 -6.746 -5.767 1.00 72.34 H new ATOM 0 HB2 ALA A 24 21.380 -6.598 -6.568 1.00 72.34 H new ATOM 0 HB3 ALA A 24 22.476 -5.198 -6.498 1.00 72.34 H new ATOM 340 N VAL A 25 22.417 -3.762 -3.423 1.00 55.22 N ATOM 341 CA VAL A 25 23.319 -3.168 -2.465 1.00 62.33 C ATOM 342 C VAL A 25 22.651 -3.061 -1.096 1.00 32.45 C ATOM 343 O VAL A 25 23.306 -3.184 -0.069 1.00 4.03 O ATOM 344 CB VAL A 25 23.933 -1.799 -2.911 1.00 34.20 C ATOM 345 CG1 VAL A 25 24.662 -1.936 -4.238 1.00 72.33 C ATOM 346 CG2 VAL A 25 22.901 -0.701 -2.974 1.00 14.30 C ATOM 0 H VAL A 25 21.718 -3.132 -3.817 1.00 55.22 H new ATOM 0 HA VAL A 25 24.170 -3.846 -2.399 1.00 62.33 H new ATOM 0 HB VAL A 25 24.656 -1.512 -2.148 1.00 34.20 H new ATOM 0 HG11 VAL A 25 25.079 -0.971 -4.525 1.00 72.33 H new ATOM 0 HG12 VAL A 25 25.467 -2.664 -4.137 1.00 72.33 H new ATOM 0 HG13 VAL A 25 23.963 -2.272 -5.004 1.00 72.33 H new ATOM 0 HG21 VAL A 25 23.377 0.228 -3.288 1.00 14.30 H new ATOM 0 HG22 VAL A 25 22.125 -0.972 -3.690 1.00 14.30 H new ATOM 0 HG23 VAL A 25 22.454 -0.565 -1.989 1.00 14.30 H new ATOM 356 N ILE A 26 21.327 -2.869 -1.081 1.00 55.51 N ATOM 357 CA ILE A 26 20.609 -2.777 0.174 1.00 31.22 C ATOM 358 C ILE A 26 20.359 -4.166 0.786 1.00 53.21 C ATOM 359 O ILE A 26 20.560 -4.381 1.983 1.00 15.33 O ATOM 360 CB ILE A 26 19.295 -1.926 0.074 1.00 75.11 C ATOM 361 CG1 ILE A 26 18.640 -1.830 1.443 1.00 1.23 C ATOM 362 CG2 ILE A 26 18.336 -2.484 -0.955 1.00 41.33 C ATOM 363 CD1 ILE A 26 17.787 -0.641 1.588 1.00 43.23 C ATOM 0 H ILE A 26 20.747 -2.777 -1.915 1.00 55.51 H new ATOM 0 HA ILE A 26 21.258 -2.231 0.859 1.00 31.22 H new ATOM 0 HB ILE A 26 19.563 -0.924 -0.262 1.00 75.11 H new ATOM 0 HG12 ILE A 26 18.041 -2.724 1.617 1.00 1.23 H new ATOM 0 HG13 ILE A 26 19.414 -1.811 2.210 1.00 1.23 H new ATOM 0 HG21 ILE A 26 17.440 -1.864 -0.991 1.00 41.33 H new ATOM 0 HG22 ILE A 26 18.815 -2.487 -1.934 1.00 41.33 H new ATOM 0 HG23 ILE A 26 18.062 -3.503 -0.682 1.00 41.33 H new ATOM 0 HD11 ILE A 26 17.348 -0.628 2.585 1.00 43.23 H new ATOM 0 HD12 ILE A 26 18.387 0.257 1.444 1.00 43.23 H new ATOM 0 HD13 ILE A 26 16.993 -0.670 0.842 1.00 43.23 H new ATOM 375 N LEU A 27 19.972 -5.110 -0.037 1.00 74.24 N ATOM 376 CA LEU A 27 19.737 -6.467 0.429 1.00 54.44 C ATOM 377 C LEU A 27 20.967 -7.312 0.221 1.00 52.43 C ATOM 378 O LEU A 27 21.128 -8.351 0.854 1.00 33.31 O ATOM 379 CB LEU A 27 18.601 -7.116 -0.367 1.00 52.22 C ATOM 380 CG LEU A 27 17.229 -6.478 -0.285 1.00 2.23 C ATOM 381 CD1 LEU A 27 16.273 -7.202 -1.210 1.00 24.51 C ATOM 382 CD2 LEU A 27 16.716 -6.533 1.129 1.00 14.04 C ATOM 0 H LEU A 27 19.811 -4.970 -1.034 1.00 74.24 H new ATOM 0 HA LEU A 27 19.482 -6.412 1.487 1.00 54.44 H new ATOM 0 HB2 LEU A 27 18.897 -7.140 -1.416 1.00 52.22 H new ATOM 0 HB3 LEU A 27 18.510 -8.151 -0.038 1.00 52.22 H new ATOM 0 HG LEU A 27 17.303 -5.435 -0.591 1.00 2.23 H new ATOM 0 HD11 LEU A 27 15.287 -6.740 -1.148 1.00 24.51 H new ATOM 0 HD12 LEU A 27 16.640 -7.139 -2.234 1.00 24.51 H new ATOM 0 HD13 LEU A 27 16.203 -8.249 -0.914 1.00 24.51 H new ATOM 0 HD21 LEU A 27 15.730 -6.072 1.176 1.00 14.04 H new ATOM 0 HD22 LEU A 27 16.647 -7.572 1.451 1.00 14.04 H new ATOM 0 HD23 LEU A 27 17.400 -5.995 1.785 1.00 14.04 H new ATOM 394 N ASP A 28 21.830 -6.862 -0.703 1.00 24.22 N ATOM 395 CA ASP A 28 22.996 -7.646 -1.194 1.00 52.31 C ATOM 396 C ASP A 28 22.453 -8.845 -1.987 1.00 32.22 C ATOM 397 O ASP A 28 23.136 -9.798 -2.321 1.00 21.13 O ATOM 398 CB ASP A 28 23.935 -8.077 -0.041 1.00 51.34 C ATOM 399 CG ASP A 28 25.200 -8.748 -0.528 1.00 41.40 C ATOM 400 OD1 ASP A 28 26.111 -8.037 -1.010 1.00 40.01 O ATOM 401 OD2 ASP A 28 25.320 -9.997 -0.422 1.00 22.13 O ATOM 0 H ASP A 28 21.747 -5.943 -1.138 1.00 24.22 H new ATOM 0 HA ASP A 28 23.613 -7.027 -1.844 1.00 52.31 H new ATOM 0 HB2 ASP A 28 24.200 -7.201 0.551 1.00 51.34 H new ATOM 0 HB3 ASP A 28 23.400 -8.759 0.620 1.00 51.34 H new ATOM 406 N ARG A 29 21.200 -8.712 -2.317 1.00 21.45 N ATOM 407 CA ARG A 29 20.416 -9.676 -3.007 1.00 74.33 C ATOM 408 C ARG A 29 19.702 -8.915 -4.081 1.00 52.42 C ATOM 409 O ARG A 29 19.138 -7.861 -3.794 1.00 14.41 O ATOM 410 CB ARG A 29 19.379 -10.252 -2.026 1.00 11.35 C ATOM 411 CG ARG A 29 18.437 -11.305 -2.592 1.00 2.20 C ATOM 412 CD ARG A 29 17.337 -11.646 -1.581 1.00 3.24 C ATOM 413 NE ARG A 29 17.872 -12.131 -0.295 1.00 2.13 N ATOM 414 CZ ARG A 29 17.176 -12.221 0.862 1.00 35.04 C ATOM 415 NH1 ARG A 29 15.888 -11.875 0.921 1.00 53.54 N ATOM 416 NH2 ARG A 29 17.777 -12.664 1.954 1.00 4.54 N ATOM 0 H ARG A 29 20.672 -7.869 -2.093 1.00 21.45 H new ATOM 0 HA ARG A 29 21.016 -10.490 -3.413 1.00 74.33 H new ATOM 0 HB2 ARG A 29 19.911 -10.687 -1.180 1.00 11.35 H new ATOM 0 HB3 ARG A 29 18.780 -9.429 -1.637 1.00 11.35 H new ATOM 0 HG2 ARG A 29 17.988 -10.940 -3.516 1.00 2.20 H new ATOM 0 HG3 ARG A 29 18.998 -12.205 -2.844 1.00 2.20 H new ATOM 0 HD2 ARG A 29 16.726 -10.761 -1.404 1.00 3.24 H new ATOM 0 HD3 ARG A 29 16.682 -12.406 -2.007 1.00 3.24 H new ATOM 0 HE ARG A 29 18.849 -12.423 -0.276 1.00 2.13 H new ATOM 0 HH11 ARG A 29 15.412 -11.536 0.085 1.00 53.54 H new ATOM 0 HH12 ARG A 29 15.380 -11.950 1.802 1.00 53.54 H new ATOM 0 HH21 ARG A 29 18.760 -12.935 1.921 1.00 4.54 H new ATOM 0 HH22 ARG A 29 17.258 -12.734 2.829 1.00 4.54 H new ATOM 430 N THR A 30 19.726 -9.389 -5.289 1.00 61.21 N ATOM 431 CA THR A 30 19.036 -8.684 -6.324 1.00 33.00 C ATOM 432 C THR A 30 17.527 -8.952 -6.199 1.00 23.13 C ATOM 433 O THR A 30 17.054 -10.079 -6.365 1.00 21.41 O ATOM 434 CB THR A 30 19.599 -9.012 -7.763 1.00 70.40 C ATOM 435 OG1 THR A 30 18.899 -8.266 -8.773 1.00 63.51 O ATOM 436 CG2 THR A 30 19.534 -10.504 -8.085 1.00 31.42 C ATOM 0 H THR A 30 20.205 -10.242 -5.578 1.00 61.21 H new ATOM 0 HA THR A 30 19.210 -7.616 -6.195 1.00 33.00 H new ATOM 0 HB THR A 30 20.648 -8.716 -7.760 1.00 70.40 H new ATOM 0 HG1 THR A 30 19.266 -8.485 -9.655 1.00 63.51 H new ATOM 0 HG21 THR A 30 19.932 -10.678 -9.085 1.00 31.42 H new ATOM 0 HG22 THR A 30 20.125 -11.059 -7.357 1.00 31.42 H new ATOM 0 HG23 THR A 30 18.498 -10.840 -8.044 1.00 31.42 H new ATOM 444 N ALA A 31 16.796 -7.925 -5.834 1.00 51.23 N ATOM 445 CA ALA A 31 15.372 -8.035 -5.678 1.00 21.51 C ATOM 446 C ALA A 31 14.703 -7.558 -6.921 1.00 72.35 C ATOM 447 O ALA A 31 15.177 -6.611 -7.567 1.00 62.31 O ATOM 448 CB ALA A 31 14.888 -7.238 -4.489 1.00 13.45 C ATOM 0 H ALA A 31 17.172 -6.997 -5.639 1.00 51.23 H new ATOM 0 HA ALA A 31 15.121 -9.081 -5.502 1.00 21.51 H new ATOM 0 HB1 ALA A 31 13.807 -7.341 -4.398 1.00 13.45 H new ATOM 0 HB2 ALA A 31 15.366 -7.610 -3.583 1.00 13.45 H new ATOM 0 HB3 ALA A 31 15.142 -6.187 -4.628 1.00 13.45 H new ATOM 454 N ASP A 32 13.641 -8.199 -7.280 1.00 0.41 N ATOM 455 CA ASP A 32 12.937 -7.843 -8.476 1.00 0.32 C ATOM 456 C ASP A 32 11.754 -7.004 -8.109 1.00 74.21 C ATOM 457 O ASP A 32 10.976 -7.368 -7.196 1.00 35.15 O ATOM 458 CB ASP A 32 12.480 -9.097 -9.240 1.00 50.31 C ATOM 459 CG ASP A 32 11.898 -8.777 -10.614 1.00 4.10 C ATOM 460 OD1 ASP A 32 12.695 -8.589 -11.580 1.00 34.02 O ATOM 461 OD2 ASP A 32 10.667 -8.717 -10.763 1.00 65.21 O ATOM 0 H ASP A 32 13.236 -8.978 -6.761 1.00 0.41 H new ATOM 0 HA ASP A 32 13.604 -7.280 -9.129 1.00 0.32 H new ATOM 0 HB2 ASP A 32 13.327 -9.773 -9.358 1.00 50.31 H new ATOM 0 HB3 ASP A 32 11.732 -9.624 -8.648 1.00 50.31 H new ATOM 466 N THR A 33 11.614 -5.882 -8.747 1.00 35.14 N ATOM 467 CA THR A 33 10.466 -5.092 -8.520 1.00 31.22 C ATOM 468 C THR A 33 9.420 -5.445 -9.547 1.00 10.24 C ATOM 469 O THR A 33 9.737 -5.660 -10.726 1.00 74.04 O ATOM 470 CB THR A 33 10.768 -3.569 -8.608 1.00 24.32 C ATOM 471 OG1 THR A 33 11.577 -3.253 -9.755 1.00 64.34 O ATOM 472 CG2 THR A 33 11.382 -3.008 -7.352 1.00 41.11 C ATOM 0 H THR A 33 12.280 -5.504 -9.421 1.00 35.14 H new ATOM 0 HA THR A 33 10.114 -5.301 -7.510 1.00 31.22 H new ATOM 0 HB THR A 33 9.798 -3.085 -8.724 1.00 24.32 H new ATOM 0 HG1 THR A 33 11.746 -2.288 -9.780 1.00 64.34 H new ATOM 0 HG21 THR A 33 11.567 -1.942 -7.482 1.00 41.11 H new ATOM 0 HG22 THR A 33 10.700 -3.159 -6.515 1.00 41.11 H new ATOM 0 HG23 THR A 33 12.324 -3.517 -7.149 1.00 41.11 H new ATOM 480 N VAL A 34 8.192 -5.473 -9.139 1.00 71.34 N ATOM 481 CA VAL A 34 7.114 -5.764 -10.047 1.00 1.25 C ATOM 482 C VAL A 34 6.110 -4.637 -9.984 1.00 43.33 C ATOM 483 O VAL A 34 5.866 -4.096 -8.905 1.00 33.23 O ATOM 484 CB VAL A 34 6.422 -7.152 -9.767 1.00 12.10 C ATOM 485 CG1 VAL A 34 7.407 -8.300 -9.909 1.00 41.41 C ATOM 486 CG2 VAL A 34 5.765 -7.198 -8.401 1.00 54.12 C ATOM 0 H VAL A 34 7.903 -5.297 -8.177 1.00 71.34 H new ATOM 0 HA VAL A 34 7.532 -5.844 -11.050 1.00 1.25 H new ATOM 0 HB VAL A 34 5.641 -7.265 -10.519 1.00 12.10 H new ATOM 0 HG11 VAL A 34 6.898 -9.243 -9.709 1.00 41.41 H new ATOM 0 HG12 VAL A 34 7.808 -8.312 -10.922 1.00 41.41 H new ATOM 0 HG13 VAL A 34 8.222 -8.170 -9.197 1.00 41.41 H new ATOM 0 HG21 VAL A 34 5.301 -8.173 -8.253 1.00 54.12 H new ATOM 0 HG22 VAL A 34 6.517 -7.033 -7.630 1.00 54.12 H new ATOM 0 HG23 VAL A 34 5.003 -6.421 -8.337 1.00 54.12 H new ATOM 496 N PRO A 35 5.554 -4.233 -11.130 1.00 64.13 N ATOM 497 CA PRO A 35 4.590 -3.132 -11.199 1.00 21.34 C ATOM 498 C PRO A 35 3.354 -3.405 -10.358 1.00 1.03 C ATOM 499 O PRO A 35 2.754 -4.481 -10.442 1.00 4.34 O ATOM 500 CB PRO A 35 4.224 -3.060 -12.687 1.00 24.54 C ATOM 501 CG PRO A 35 4.603 -4.390 -13.233 1.00 32.20 C ATOM 502 CD PRO A 35 5.806 -4.815 -12.460 1.00 62.32 C ATOM 0 HA PRO A 35 5.004 -2.202 -10.810 1.00 21.34 H new ATOM 0 HB2 PRO A 35 3.161 -2.864 -12.824 1.00 24.54 H new ATOM 0 HB3 PRO A 35 4.764 -2.257 -13.189 1.00 24.54 H new ATOM 0 HG2 PRO A 35 3.790 -5.107 -13.118 1.00 32.20 H new ATOM 0 HG3 PRO A 35 4.824 -4.327 -14.299 1.00 32.20 H new ATOM 0 HD2 PRO A 35 5.898 -5.900 -12.417 1.00 62.32 H new ATOM 0 HD3 PRO A 35 6.727 -4.434 -12.901 1.00 62.32 H new ATOM 510 N ALA A 36 3.012 -2.465 -9.531 1.00 35.13 N ATOM 511 CA ALA A 36 1.861 -2.568 -8.697 1.00 33.04 C ATOM 512 C ALA A 36 1.311 -1.203 -8.434 1.00 2.22 C ATOM 513 O ALA A 36 2.040 -0.219 -8.484 1.00 14.53 O ATOM 514 CB ALA A 36 2.199 -3.256 -7.400 1.00 14.45 C ATOM 0 H ALA A 36 3.533 -1.595 -9.417 1.00 35.13 H new ATOM 0 HA ALA A 36 1.108 -3.167 -9.209 1.00 33.04 H new ATOM 0 HB1 ALA A 36 1.305 -3.323 -6.780 1.00 14.45 H new ATOM 0 HB2 ALA A 36 2.573 -4.259 -7.607 1.00 14.45 H new ATOM 0 HB3 ALA A 36 2.964 -2.685 -6.874 1.00 14.45 H new ATOM 520 N VAL A 37 0.060 -1.133 -8.156 1.00 42.43 N ATOM 521 CA VAL A 37 -0.558 0.125 -7.883 1.00 25.21 C ATOM 522 C VAL A 37 -1.174 0.123 -6.485 1.00 73.32 C ATOM 523 O VAL A 37 -1.860 -0.824 -6.103 1.00 53.12 O ATOM 524 CB VAL A 37 -1.609 0.498 -8.974 1.00 22.34 C ATOM 525 CG1 VAL A 37 -2.711 -0.545 -9.064 1.00 74.13 C ATOM 526 CG2 VAL A 37 -2.190 1.878 -8.730 1.00 12.24 C ATOM 0 H VAL A 37 -0.566 -1.937 -8.110 1.00 42.43 H new ATOM 0 HA VAL A 37 0.213 0.895 -7.912 1.00 25.21 H new ATOM 0 HB VAL A 37 -1.089 0.517 -9.932 1.00 22.34 H new ATOM 0 HG11 VAL A 37 -3.426 -0.254 -9.834 1.00 74.13 H new ATOM 0 HG12 VAL A 37 -2.277 -1.512 -9.319 1.00 74.13 H new ATOM 0 HG13 VAL A 37 -3.222 -0.619 -8.104 1.00 74.13 H new ATOM 0 HG21 VAL A 37 -2.919 2.108 -9.507 1.00 12.24 H new ATOM 0 HG22 VAL A 37 -2.679 1.900 -7.756 1.00 12.24 H new ATOM 0 HG23 VAL A 37 -1.390 2.618 -8.751 1.00 12.24 H new ATOM 536 N LEU A 38 -0.898 1.158 -5.735 1.00 43.22 N ATOM 537 CA LEU A 38 -1.413 1.313 -4.400 1.00 14.44 C ATOM 538 C LEU A 38 -2.678 2.135 -4.413 1.00 75.03 C ATOM 539 O LEU A 38 -2.715 3.200 -5.001 1.00 51.30 O ATOM 540 CB LEU A 38 -0.368 1.980 -3.490 1.00 11.23 C ATOM 541 CG LEU A 38 -0.831 2.365 -2.072 1.00 42.43 C ATOM 542 CD1 LEU A 38 -1.491 1.207 -1.365 1.00 71.53 C ATOM 543 CD2 LEU A 38 0.345 2.828 -1.261 1.00 52.34 C ATOM 0 H LEU A 38 -0.301 1.927 -6.039 1.00 43.22 H new ATOM 0 HA LEU A 38 -1.639 0.322 -4.008 1.00 14.44 H new ATOM 0 HB2 LEU A 38 0.484 1.306 -3.399 1.00 11.23 H new ATOM 0 HB3 LEU A 38 -0.009 2.881 -3.987 1.00 11.23 H new ATOM 0 HG LEU A 38 -1.562 3.167 -2.172 1.00 42.43 H new ATOM 0 HD11 LEU A 38 -1.803 1.519 -0.368 1.00 71.53 H new ATOM 0 HD12 LEU A 38 -2.363 0.883 -1.933 1.00 71.53 H new ATOM 0 HD13 LEU A 38 -0.785 0.381 -1.282 1.00 71.53 H new ATOM 0 HD21 LEU A 38 0.012 3.099 -0.259 1.00 52.34 H new ATOM 0 HD22 LEU A 38 1.080 2.026 -1.194 1.00 52.34 H new ATOM 0 HD23 LEU A 38 0.798 3.696 -1.740 1.00 52.34 H new ATOM 555 N HIS A 39 -3.699 1.639 -3.773 1.00 22.04 N ATOM 556 CA HIS A 39 -4.955 2.359 -3.679 1.00 44.44 C ATOM 557 C HIS A 39 -5.031 3.161 -2.403 1.00 1.14 C ATOM 558 O HIS A 39 -4.744 2.645 -1.313 1.00 50.34 O ATOM 559 CB HIS A 39 -6.187 1.413 -3.799 1.00 14.41 C ATOM 560 CG HIS A 39 -6.251 0.267 -2.789 1.00 13.53 C ATOM 561 ND1 HIS A 39 -5.925 -1.024 -3.112 1.00 63.54 N ATOM 562 CD2 HIS A 39 -6.626 0.230 -1.476 1.00 30.32 C ATOM 563 CE1 HIS A 39 -6.089 -1.801 -2.067 1.00 53.54 C ATOM 564 NE2 HIS A 39 -6.511 -1.074 -1.062 1.00 63.14 N ATOM 0 H HIS A 39 -3.694 0.734 -3.303 1.00 22.04 H new ATOM 0 HA HIS A 39 -4.985 3.046 -4.525 1.00 44.44 H new ATOM 0 HB2 HIS A 39 -7.092 2.012 -3.697 1.00 14.41 H new ATOM 0 HB3 HIS A 39 -6.198 0.988 -4.803 1.00 14.41 H new ATOM 0 HD2 HIS A 39 -6.951 1.068 -0.877 1.00 30.32 H new ATOM 0 HE1 HIS A 39 -5.906 -2.865 -2.040 1.00 53.54 H new ATOM 0 HE2 HIS A 39 -6.720 -1.420 -0.126 1.00 63.14 H new ATOM 573 N GLY A 40 -5.373 4.414 -2.528 1.00 32.34 N ATOM 574 CA GLY A 40 -5.604 5.208 -1.348 1.00 51.21 C ATOM 575 C GLY A 40 -4.503 6.178 -1.048 1.00 61.51 C ATOM 576 O GLY A 40 -4.577 6.924 -0.075 1.00 74.10 O ATOM 0 H GLY A 40 -5.497 4.902 -3.415 1.00 32.34 H new ATOM 0 HA2 GLY A 40 -6.537 5.758 -1.468 1.00 51.21 H new ATOM 0 HA3 GLY A 40 -5.733 4.544 -0.494 1.00 51.21 H new ATOM 580 N TYR A 41 -3.476 6.176 -1.846 1.00 44.33 N ATOM 581 CA TYR A 41 -2.404 7.074 -1.637 1.00 34.14 C ATOM 582 C TYR A 41 -2.092 7.873 -2.864 1.00 22.44 C ATOM 583 O TYR A 41 -2.500 7.523 -3.964 1.00 22.12 O ATOM 584 CB TYR A 41 -1.176 6.349 -1.084 1.00 64.23 C ATOM 585 CG TYR A 41 -1.314 6.020 0.384 1.00 44.43 C ATOM 586 CD1 TYR A 41 -1.020 6.989 1.320 1.00 64.12 C ATOM 587 CD2 TYR A 41 -1.763 4.770 0.842 1.00 33.41 C ATOM 588 CE1 TYR A 41 -1.165 6.755 2.667 1.00 55.44 C ATOM 589 CE2 TYR A 41 -1.902 4.527 2.196 1.00 3.43 C ATOM 590 CZ TYR A 41 -1.606 5.525 3.103 1.00 50.04 C ATOM 591 OH TYR A 41 -1.759 5.292 4.456 1.00 32.33 O ATOM 0 H TYR A 41 -3.368 5.555 -2.648 1.00 44.33 H new ATOM 0 HA TYR A 41 -2.720 7.792 -0.881 1.00 34.14 H new ATOM 0 HB2 TYR A 41 -1.017 5.429 -1.646 1.00 64.23 H new ATOM 0 HB3 TYR A 41 -0.293 6.970 -1.233 1.00 64.23 H new ATOM 0 HD1 TYR A 41 -0.668 7.954 0.987 1.00 64.12 H new ATOM 0 HD2 TYR A 41 -2.001 3.993 0.131 1.00 33.41 H new ATOM 0 HE1 TYR A 41 -0.934 7.532 3.380 1.00 55.44 H new ATOM 0 HE2 TYR A 41 -2.240 3.562 2.542 1.00 3.43 H new ATOM 0 HH TYR A 41 -2.079 4.376 4.596 1.00 32.33 H new ATOM 601 N HIS A 42 -1.408 8.972 -2.668 1.00 32.30 N ATOM 602 CA HIS A 42 -0.953 9.803 -3.749 1.00 24.11 C ATOM 603 C HIS A 42 0.492 10.154 -3.472 1.00 13.24 C ATOM 604 O HIS A 42 0.826 10.558 -2.358 1.00 73.42 O ATOM 605 CB HIS A 42 -1.819 11.084 -3.882 1.00 5.20 C ATOM 606 CG HIS A 42 -1.454 11.975 -5.057 1.00 33.51 C ATOM 607 ND1 HIS A 42 -2.274 12.172 -6.146 1.00 61.34 N ATOM 608 CD2 HIS A 42 -0.359 12.737 -5.288 1.00 0.00 C ATOM 609 CE1 HIS A 42 -1.700 13.003 -6.987 1.00 74.03 C ATOM 610 NE2 HIS A 42 -0.539 13.361 -6.491 1.00 20.42 N ATOM 0 H HIS A 42 -1.150 9.317 -1.743 1.00 32.30 H new ATOM 0 HA HIS A 42 -1.043 9.269 -4.695 1.00 24.11 H new ATOM 0 HB2 HIS A 42 -2.865 10.792 -3.976 1.00 5.20 H new ATOM 0 HB3 HIS A 42 -1.731 11.663 -2.963 1.00 5.20 H new ATOM 0 HD2 HIS A 42 0.500 12.834 -4.640 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.114 13.335 -7.928 1.00 74.03 H new ATOM 0 HE2 HIS A 42 0.122 14.001 -6.932 1.00 20.42 H new ATOM 619 N ARG A 43 1.340 9.980 -4.459 1.00 54.33 N ATOM 620 CA ARG A 43 2.755 10.258 -4.292 1.00 63.10 C ATOM 621 C ARG A 43 3.072 11.703 -4.619 1.00 2.01 C ATOM 622 O ARG A 43 2.759 12.194 -5.711 1.00 1.25 O ATOM 623 CB ARG A 43 3.615 9.349 -5.172 1.00 40.54 C ATOM 624 CG ARG A 43 5.118 9.546 -4.961 1.00 55.51 C ATOM 625 CD ARG A 43 5.940 8.815 -6.006 1.00 61.33 C ATOM 626 NE ARG A 43 5.659 9.334 -7.346 1.00 74.10 N ATOM 627 CZ ARG A 43 6.511 9.347 -8.379 1.00 65.12 C ATOM 628 NH1 ARG A 43 7.744 8.845 -8.258 1.00 65.54 N ATOM 629 NH2 ARG A 43 6.122 9.865 -9.530 1.00 60.02 N ATOM 0 H ARG A 43 1.079 9.648 -5.387 1.00 54.33 H new ATOM 0 HA ARG A 43 2.990 10.064 -3.245 1.00 63.10 H new ATOM 0 HB2 ARG A 43 3.360 8.309 -4.967 1.00 40.54 H new ATOM 0 HB3 ARG A 43 3.375 9.536 -6.219 1.00 40.54 H new ATOM 0 HG2 ARG A 43 5.352 10.610 -4.995 1.00 55.51 H new ATOM 0 HG3 ARG A 43 5.394 9.190 -3.968 1.00 55.51 H new ATOM 0 HD2 ARG A 43 7.001 8.926 -5.783 1.00 61.33 H new ATOM 0 HD3 ARG A 43 5.717 7.749 -5.970 1.00 61.33 H new ATOM 0 HE ARG A 43 4.729 9.721 -7.507 1.00 74.10 H new ATOM 0 HH11 ARG A 43 8.047 8.445 -7.370 1.00 65.54 H new ATOM 0 HH12 ARG A 43 8.382 8.862 -9.054 1.00 65.54 H new ATOM 0 HH21 ARG A 43 5.182 10.249 -9.625 1.00 60.02 H new ATOM 0 HH22 ARG A 43 6.762 9.881 -10.324 1.00 60.02 H new ATOM 643 N TYR A 44 3.681 12.363 -3.682 1.00 5.22 N ATOM 644 CA TYR A 44 4.134 13.714 -3.843 1.00 2.33 C ATOM 645 C TYR A 44 5.625 13.687 -3.971 1.00 23.04 C ATOM 646 O TYR A 44 6.273 12.849 -3.364 1.00 62.01 O ATOM 647 CB TYR A 44 3.726 14.568 -2.643 1.00 32.23 C ATOM 648 CG TYR A 44 2.235 14.635 -2.456 1.00 14.03 C ATOM 649 CD1 TYR A 44 1.478 15.584 -3.115 1.00 53.12 C ATOM 650 CD2 TYR A 44 1.581 13.744 -1.629 1.00 21.05 C ATOM 651 CE1 TYR A 44 0.112 15.646 -2.952 1.00 24.52 C ATOM 652 CE2 TYR A 44 0.221 13.802 -1.466 1.00 34.13 C ATOM 653 CZ TYR A 44 -0.510 14.750 -2.124 1.00 2.12 C ATOM 654 OH TYR A 44 -1.876 14.803 -1.956 1.00 13.30 O ATOM 0 H TYR A 44 3.882 11.970 -2.763 1.00 5.22 H new ATOM 0 HA TYR A 44 3.681 14.153 -4.732 1.00 2.33 H new ATOM 0 HB2 TYR A 44 4.183 14.161 -1.741 1.00 32.23 H new ATOM 0 HB3 TYR A 44 4.117 15.577 -2.771 1.00 32.23 H new ATOM 0 HD1 TYR A 44 1.966 16.290 -3.770 1.00 53.12 H new ATOM 0 HD2 TYR A 44 2.149 12.991 -1.103 1.00 21.05 H new ATOM 0 HE1 TYR A 44 -0.465 16.396 -3.473 1.00 24.52 H new ATOM 0 HE2 TYR A 44 -0.274 13.096 -0.815 1.00 34.13 H new ATOM 0 HH TYR A 44 -2.157 14.097 -1.337 1.00 13.30 H new ATOM 664 N LYS A 45 6.167 14.557 -4.758 1.00 60.43 N ATOM 665 CA LYS A 45 7.590 14.588 -4.965 1.00 51.42 C ATOM 666 C LYS A 45 8.220 15.771 -4.352 1.00 44.30 C ATOM 667 O LYS A 45 7.819 16.893 -4.614 1.00 73.43 O ATOM 668 CB LYS A 45 7.947 14.467 -6.442 1.00 71.51 C ATOM 669 CG LYS A 45 7.759 13.064 -6.969 1.00 60.32 C ATOM 670 CD LYS A 45 8.772 12.097 -6.330 1.00 34.21 C ATOM 671 CE LYS A 45 10.170 12.125 -6.987 1.00 12.22 C ATOM 672 NZ LYS A 45 10.891 13.431 -6.899 1.00 33.22 N ATOM 0 H LYS A 45 5.646 15.265 -5.276 1.00 60.43 H new ATOM 0 HA LYS A 45 7.998 13.715 -4.456 1.00 51.42 H new ATOM 0 HB2 LYS A 45 7.329 15.154 -7.019 1.00 71.51 H new ATOM 0 HB3 LYS A 45 8.984 14.771 -6.588 1.00 71.51 H new ATOM 0 HG2 LYS A 45 6.744 12.725 -6.759 1.00 60.32 H new ATOM 0 HG3 LYS A 45 7.879 13.059 -8.052 1.00 60.32 H new ATOM 0 HD2 LYS A 45 8.874 12.341 -5.273 1.00 34.21 H new ATOM 0 HD3 LYS A 45 8.376 11.083 -6.386 1.00 34.21 H new ATOM 0 HE2 LYS A 45 10.787 11.356 -6.522 1.00 12.22 H new ATOM 0 HE3 LYS A 45 10.065 11.857 -8.038 1.00 12.22 H new ATOM 0 HZ1 LYS A 45 11.912 13.272 -7.014 1.00 33.22 H new ATOM 0 HZ2 LYS A 45 10.553 14.066 -7.650 1.00 33.22 H new ATOM 0 HZ3 LYS A 45 10.710 13.865 -5.972 1.00 33.22 H new ATOM 686 N LEU A 46 9.199 15.527 -3.516 1.00 4.23 N ATOM 687 CA LEU A 46 9.916 16.585 -2.884 1.00 64.45 C ATOM 688 C LEU A 46 11.395 16.306 -3.030 1.00 64.24 C ATOM 689 O LEU A 46 11.807 15.157 -2.944 1.00 64.21 O ATOM 690 CB LEU A 46 9.596 16.716 -1.366 1.00 3.50 C ATOM 691 CG LEU A 46 8.127 16.864 -0.895 1.00 23.21 C ATOM 692 CD1 LEU A 46 7.388 17.983 -1.606 1.00 71.34 C ATOM 693 CD2 LEU A 46 7.375 15.537 -0.935 1.00 43.43 C ATOM 0 H LEU A 46 9.513 14.591 -3.261 1.00 4.23 H new ATOM 0 HA LEU A 46 9.618 17.516 -3.365 1.00 64.45 H new ATOM 0 HB2 LEU A 46 10.009 15.837 -0.870 1.00 3.50 H new ATOM 0 HB3 LEU A 46 10.145 17.580 -0.992 1.00 3.50 H new ATOM 0 HG LEU A 46 8.169 17.163 0.152 1.00 23.21 H new ATOM 0 HD11 LEU A 46 6.365 18.037 -1.234 1.00 71.34 H new ATOM 0 HD12 LEU A 46 7.894 18.930 -1.418 1.00 71.34 H new ATOM 0 HD13 LEU A 46 7.374 17.786 -2.678 1.00 71.34 H new ATOM 0 HD21 LEU A 46 6.350 15.689 -0.597 1.00 43.43 H new ATOM 0 HD22 LEU A 46 7.367 15.154 -1.955 1.00 43.43 H new ATOM 0 HD23 LEU A 46 7.870 14.819 -0.282 1.00 43.43 H new ATOM 705 N LYS A 47 12.178 17.332 -3.255 1.00 0.44 N ATOM 706 CA LYS A 47 13.626 17.176 -3.329 1.00 32.22 C ATOM 707 C LYS A 47 14.202 17.372 -1.965 1.00 23.31 C ATOM 708 O LYS A 47 15.244 16.812 -1.622 1.00 34.12 O ATOM 709 CB LYS A 47 14.254 18.226 -4.221 1.00 5.02 C ATOM 710 CG LYS A 47 13.724 18.274 -5.607 1.00 34.53 C ATOM 711 CD LYS A 47 14.500 19.290 -6.418 1.00 14.42 C ATOM 712 CE LYS A 47 14.027 19.367 -7.850 1.00 52.34 C ATOM 713 NZ LYS A 47 14.844 20.322 -8.642 1.00 52.34 N ATOM 0 H LYS A 47 11.846 18.287 -3.391 1.00 0.44 H new ATOM 0 HA LYS A 47 13.831 16.183 -3.729 1.00 32.22 H new ATOM 0 HB2 LYS A 47 14.112 19.204 -3.760 1.00 5.02 H new ATOM 0 HB3 LYS A 47 15.328 18.047 -4.265 1.00 5.02 H new ATOM 0 HG2 LYS A 47 13.801 17.290 -6.070 1.00 34.53 H new ATOM 0 HG3 LYS A 47 12.666 18.538 -5.593 1.00 34.53 H new ATOM 0 HD2 LYS A 47 14.404 20.271 -5.953 1.00 14.42 H new ATOM 0 HD3 LYS A 47 15.559 19.032 -6.401 1.00 14.42 H new ATOM 0 HE2 LYS A 47 14.078 18.378 -8.305 1.00 52.34 H new ATOM 0 HE3 LYS A 47 12.982 19.675 -7.873 1.00 52.34 H new ATOM 0 HZ1 LYS A 47 14.493 20.351 -9.620 1.00 52.34 H new ATOM 0 HZ2 LYS A 47 14.775 21.270 -8.221 1.00 52.34 H new ATOM 0 HZ3 LYS A 47 15.837 20.014 -8.640 1.00 52.34 H new ATOM 727 N GLY A 48 13.521 18.196 -1.189 1.00 4.14 N ATOM 728 CA GLY A 48 13.972 18.529 0.127 1.00 4.43 C ATOM 729 C GLY A 48 13.914 17.350 1.065 1.00 13.32 C ATOM 730 O GLY A 48 14.729 17.223 1.977 1.00 71.43 O ATOM 0 H GLY A 48 12.647 18.645 -1.462 1.00 4.14 H new ATOM 0 HA2 GLY A 48 14.996 18.900 0.075 1.00 4.43 H new ATOM 0 HA3 GLY A 48 13.360 19.338 0.525 1.00 4.43 H new ATOM 734 N LEU A 49 12.953 16.493 0.830 1.00 30.21 N ATOM 735 CA LEU A 49 12.779 15.289 1.597 1.00 2.31 C ATOM 736 C LEU A 49 13.573 14.151 0.908 1.00 31.32 C ATOM 737 O LEU A 49 13.855 14.244 -0.284 1.00 10.10 O ATOM 738 CB LEU A 49 11.271 14.940 1.739 1.00 21.55 C ATOM 739 CG LEU A 49 10.382 15.834 2.649 1.00 63.50 C ATOM 740 CD1 LEU A 49 10.369 17.293 2.216 1.00 41.22 C ATOM 741 CD2 LEU A 49 8.967 15.295 2.663 1.00 22.15 C ATOM 0 H LEU A 49 12.261 16.615 0.090 1.00 30.21 H new ATOM 0 HA LEU A 49 13.163 15.428 2.608 1.00 2.31 H new ATOM 0 HB2 LEU A 49 10.834 14.947 0.740 1.00 21.55 H new ATOM 0 HB3 LEU A 49 11.202 13.918 2.110 1.00 21.55 H new ATOM 0 HG LEU A 49 10.814 15.802 3.649 1.00 63.50 H new ATOM 0 HD11 LEU A 49 9.732 17.867 2.889 1.00 41.22 H new ATOM 0 HD12 LEU A 49 11.383 17.691 2.249 1.00 41.22 H new ATOM 0 HD13 LEU A 49 9.983 17.367 1.199 1.00 41.22 H new ATOM 0 HD21 LEU A 49 8.345 15.923 3.301 1.00 22.15 H new ATOM 0 HD22 LEU A 49 8.566 15.298 1.649 1.00 22.15 H new ATOM 0 HD23 LEU A 49 8.970 14.275 3.049 1.00 22.15 H new ATOM 753 N PRO A 50 13.928 13.075 1.633 1.00 50.44 N ATOM 754 CA PRO A 50 14.813 12.017 1.113 1.00 71.01 C ATOM 755 C PRO A 50 14.170 11.131 0.034 1.00 53.22 C ATOM 756 O PRO A 50 14.467 11.284 -1.146 1.00 53.54 O ATOM 757 CB PRO A 50 15.198 11.200 2.361 1.00 31.52 C ATOM 758 CG PRO A 50 14.662 11.986 3.519 1.00 50.34 C ATOM 759 CD PRO A 50 13.500 12.780 2.986 1.00 62.20 C ATOM 0 HA PRO A 50 15.671 12.451 0.599 1.00 71.01 H new ATOM 0 HB2 PRO A 50 14.764 10.201 2.328 1.00 31.52 H new ATOM 0 HB3 PRO A 50 16.279 11.076 2.434 1.00 31.52 H new ATOM 0 HG2 PRO A 50 14.344 11.324 4.325 1.00 50.34 H new ATOM 0 HG3 PRO A 50 15.427 12.644 3.930 1.00 50.34 H new ATOM 0 HD2 PRO A 50 12.573 12.207 3.004 1.00 62.20 H new ATOM 0 HD3 PRO A 50 13.326 13.687 3.565 1.00 62.20 H new ATOM 767 N TYR A 51 13.299 10.215 0.434 1.00 75.24 N ATOM 768 CA TYR A 51 12.593 9.357 -0.520 1.00 64.43 C ATOM 769 C TYR A 51 11.101 9.495 -0.260 1.00 51.51 C ATOM 770 O TYR A 51 10.485 8.670 0.410 1.00 13.12 O ATOM 771 CB TYR A 51 13.048 7.886 -0.391 1.00 20.14 C ATOM 772 CG TYR A 51 14.550 7.706 -0.549 1.00 40.42 C ATOM 773 CD1 TYR A 51 15.395 7.858 0.543 1.00 32.54 C ATOM 774 CD2 TYR A 51 15.123 7.409 -1.779 1.00 24.32 C ATOM 775 CE1 TYR A 51 16.756 7.719 0.421 1.00 73.44 C ATOM 776 CE2 TYR A 51 16.495 7.266 -1.907 1.00 60.23 C ATOM 777 CZ TYR A 51 17.303 7.425 -0.796 1.00 41.32 C ATOM 778 OH TYR A 51 18.671 7.293 -0.910 1.00 34.05 O ATOM 0 H TYR A 51 13.061 10.043 1.411 1.00 75.24 H new ATOM 0 HA TYR A 51 12.823 9.667 -1.539 1.00 64.43 H new ATOM 0 HB2 TYR A 51 12.743 7.503 0.583 1.00 20.14 H new ATOM 0 HB3 TYR A 51 12.536 7.287 -1.144 1.00 20.14 H new ATOM 0 HD1 TYR A 51 14.972 8.091 1.509 1.00 32.54 H new ATOM 0 HD2 TYR A 51 14.491 7.288 -2.646 1.00 24.32 H new ATOM 0 HE1 TYR A 51 17.392 7.842 1.285 1.00 73.44 H new ATOM 0 HE2 TYR A 51 16.930 7.032 -2.867 1.00 60.23 H new ATOM 0 HH TYR A 51 18.903 7.082 -1.839 1.00 34.05 H new ATOM 788 N PRO A 52 10.527 10.608 -0.702 1.00 14.33 N ATOM 789 CA PRO A 52 9.168 10.979 -0.391 1.00 45.11 C ATOM 790 C PRO A 52 8.206 11.042 -1.563 1.00 13.13 C ATOM 791 O PRO A 52 8.622 11.068 -2.733 1.00 44.25 O ATOM 792 CB PRO A 52 9.424 12.425 0.008 1.00 23.40 C ATOM 793 CG PRO A 52 10.546 12.896 -0.903 1.00 72.31 C ATOM 794 CD PRO A 52 11.176 11.659 -1.485 1.00 21.42 C ATOM 0 HA PRO A 52 8.711 10.275 0.305 1.00 45.11 H new ATOM 0 HB2 PRO A 52 8.529 13.034 -0.122 1.00 23.40 H new ATOM 0 HB3 PRO A 52 9.711 12.499 1.057 1.00 23.40 H new ATOM 0 HG2 PRO A 52 10.159 13.542 -1.692 1.00 72.31 H new ATOM 0 HG3 PRO A 52 11.279 13.478 -0.345 1.00 72.31 H new ATOM 0 HD2 PRO A 52 10.976 11.559 -2.552 1.00 21.42 H new ATOM 0 HD3 PRO A 52 12.259 11.653 -1.362 1.00 21.42 H new ATOM 802 N CYS A 53 6.895 11.036 -1.304 1.00 62.31 N ATOM 803 CA CYS A 53 6.156 10.606 -0.079 1.00 12.12 C ATOM 804 C CYS A 53 4.739 10.294 -0.500 1.00 13.02 C ATOM 805 O CYS A 53 4.303 10.785 -1.543 1.00 71.25 O ATOM 806 CB CYS A 53 6.148 11.610 1.117 1.00 14.34 C ATOM 807 SG CYS A 53 7.502 11.409 2.304 1.00 71.54 S ATOM 0 H CYS A 53 6.241 11.365 -2.014 1.00 62.31 H new ATOM 0 HA CYS A 53 6.690 9.743 0.318 1.00 12.12 H new ATOM 0 HB2 CYS A 53 6.183 12.624 0.719 1.00 14.34 H new ATOM 0 HB3 CYS A 53 5.202 11.509 1.649 1.00 14.34 H new ATOM 0 HG CYS A 53 7.291 12.171 3.336 1.00 71.54 H new ATOM 813 N ILE A 54 4.014 9.508 0.252 1.00 34.54 N ATOM 814 CA ILE A 54 2.618 9.290 -0.075 1.00 13.01 C ATOM 815 C ILE A 54 1.715 9.633 1.072 1.00 72.13 C ATOM 816 O ILE A 54 1.935 9.190 2.188 1.00 45.12 O ATOM 817 CB ILE A 54 2.280 7.872 -0.555 1.00 51.41 C ATOM 818 CG1 ILE A 54 2.732 6.796 0.435 1.00 72.24 C ATOM 819 CG2 ILE A 54 2.789 7.622 -1.947 1.00 62.02 C ATOM 820 CD1 ILE A 54 2.282 5.413 0.060 1.00 72.33 C ATOM 0 H ILE A 54 4.351 9.015 1.079 1.00 34.54 H new ATOM 0 HA ILE A 54 2.445 9.964 -0.914 1.00 13.01 H new ATOM 0 HB ILE A 54 1.193 7.803 -0.598 1.00 51.41 H new ATOM 0 HG12 ILE A 54 3.820 6.810 0.504 1.00 72.24 H new ATOM 0 HG13 ILE A 54 2.347 7.039 1.425 1.00 72.24 H new ATOM 0 HG21 ILE A 54 2.531 6.608 -2.252 1.00 62.02 H new ATOM 0 HG22 ILE A 54 2.334 8.335 -2.634 1.00 62.02 H new ATOM 0 HG23 ILE A 54 3.872 7.742 -1.965 1.00 62.02 H new ATOM 0 HD11 ILE A 54 2.637 4.700 0.805 1.00 72.33 H new ATOM 0 HD12 ILE A 54 1.193 5.383 0.019 1.00 72.33 H new ATOM 0 HD13 ILE A 54 2.689 5.150 -0.917 1.00 72.33 H new ATOM 832 N VAL A 55 0.723 10.452 0.788 1.00 21.04 N ATOM 833 CA VAL A 55 -0.321 10.842 1.734 1.00 61.33 C ATOM 834 C VAL A 55 -1.556 11.231 0.951 1.00 52.02 C ATOM 835 O VAL A 55 -1.422 11.725 -0.162 1.00 32.32 O ATOM 836 CB VAL A 55 0.077 12.055 2.659 1.00 0.44 C ATOM 837 CG1 VAL A 55 1.189 11.711 3.606 1.00 63.44 C ATOM 838 CG2 VAL A 55 0.471 13.262 1.848 1.00 2.15 C ATOM 0 H VAL A 55 0.611 10.881 -0.131 1.00 21.04 H new ATOM 0 HA VAL A 55 -0.491 9.985 2.386 1.00 61.33 H new ATOM 0 HB VAL A 55 -0.812 12.289 3.244 1.00 0.44 H new ATOM 0 HG11 VAL A 55 1.425 12.580 4.220 1.00 63.44 H new ATOM 0 HG12 VAL A 55 0.878 10.886 4.248 1.00 63.44 H new ATOM 0 HG13 VAL A 55 2.072 11.417 3.039 1.00 63.44 H new ATOM 0 HG21 VAL A 55 0.739 14.079 2.518 1.00 2.15 H new ATOM 0 HG22 VAL A 55 1.325 13.014 1.218 1.00 2.15 H new ATOM 0 HG23 VAL A 55 -0.366 13.568 1.220 1.00 2.15 H new ATOM 848 N SER A 56 -2.735 10.943 1.507 1.00 64.34 N ATOM 849 CA SER A 56 -4.032 11.370 0.953 1.00 52.23 C ATOM 850 C SER A 56 -5.174 10.647 1.644 1.00 52.01 C ATOM 851 O SER A 56 -6.082 11.288 2.195 1.00 24.22 O ATOM 852 CB SER A 56 -4.143 11.167 -0.587 1.00 72.04 C ATOM 853 OG SER A 56 -3.921 9.813 -0.957 1.00 33.30 O ATOM 0 H SER A 56 -2.822 10.400 2.366 1.00 64.34 H new ATOM 0 HA SER A 56 -4.100 12.441 1.142 1.00 52.23 H new ATOM 0 HB2 SER A 56 -5.131 11.479 -0.925 1.00 72.04 H new ATOM 0 HB3 SER A 56 -3.418 11.805 -1.091 1.00 72.04 H new ATOM 0 HG SER A 56 -4.000 9.723 -1.930 1.00 33.30 H new ATOM 859 N SER A 57 -5.120 9.295 1.589 1.00 41.10 N ATOM 860 CA SER A 57 -6.173 8.403 2.098 1.00 12.32 C ATOM 861 C SER A 57 -7.406 8.536 1.182 1.00 31.32 C ATOM 862 O SER A 57 -8.509 8.075 1.488 1.00 74.34 O ATOM 863 CB SER A 57 -6.510 8.713 3.570 1.00 44.24 C ATOM 864 OG SER A 57 -5.339 8.626 4.394 1.00 23.40 O ATOM 0 H SER A 57 -4.330 8.793 1.183 1.00 41.10 H new ATOM 0 HA SER A 57 -5.824 7.371 2.081 1.00 12.32 H new ATOM 0 HB2 SER A 57 -6.939 9.712 3.646 1.00 44.24 H new ATOM 0 HB3 SER A 57 -7.265 8.013 3.929 1.00 44.24 H new ATOM 0 HG SER A 57 -5.577 8.828 5.323 1.00 23.40 H new ATOM 870 N ASP A 58 -7.162 9.155 0.042 1.00 64.43 N ATOM 871 CA ASP A 58 -8.159 9.451 -0.969 1.00 5.34 C ATOM 872 C ASP A 58 -8.371 8.219 -1.865 1.00 22.20 C ATOM 873 O ASP A 58 -7.764 7.193 -1.641 1.00 2.23 O ATOM 874 CB ASP A 58 -7.672 10.679 -1.782 1.00 14.22 C ATOM 875 CG ASP A 58 -8.641 11.156 -2.830 1.00 4.34 C ATOM 876 OD1 ASP A 58 -9.587 11.884 -2.483 1.00 71.24 O ATOM 877 OD2 ASP A 58 -8.468 10.809 -4.012 1.00 41.13 O ATOM 0 H ASP A 58 -6.229 9.477 -0.214 1.00 64.43 H new ATOM 0 HA ASP A 58 -9.120 9.689 -0.513 1.00 5.34 H new ATOM 0 HB2 ASP A 58 -7.469 11.498 -1.092 1.00 14.22 H new ATOM 0 HB3 ASP A 58 -6.728 10.428 -2.265 1.00 14.22 H new ATOM 882 N SER A 59 -9.218 8.332 -2.861 1.00 64.33 N ATOM 883 CA SER A 59 -9.465 7.257 -3.786 1.00 51.33 C ATOM 884 C SER A 59 -8.359 7.187 -4.854 1.00 52.35 C ATOM 885 O SER A 59 -8.327 6.255 -5.672 1.00 70.20 O ATOM 886 CB SER A 59 -10.828 7.452 -4.429 1.00 70.44 C ATOM 887 OG SER A 59 -11.834 7.572 -3.424 1.00 23.44 O ATOM 0 H SER A 59 -9.756 9.177 -3.051 1.00 64.33 H new ATOM 0 HA SER A 59 -9.457 6.311 -3.245 1.00 51.33 H new ATOM 0 HB2 SER A 59 -10.819 8.345 -5.054 1.00 70.44 H new ATOM 0 HB3 SER A 59 -11.054 6.609 -5.082 1.00 70.44 H new ATOM 0 HG SER A 59 -12.708 7.699 -3.849 1.00 23.44 H new ATOM 893 N GLY A 60 -7.468 8.184 -4.838 1.00 5.04 N ATOM 894 CA GLY A 60 -6.342 8.214 -5.747 1.00 33.20 C ATOM 895 C GLY A 60 -5.439 7.014 -5.569 1.00 22.51 C ATOM 896 O GLY A 60 -5.414 6.391 -4.500 1.00 74.03 O ATOM 0 H GLY A 60 -7.514 8.978 -4.200 1.00 5.04 H new ATOM 0 HA2 GLY A 60 -6.706 8.245 -6.774 1.00 33.20 H new ATOM 0 HA3 GLY A 60 -5.769 9.127 -5.584 1.00 33.20 H new ATOM 900 N LYS A 61 -4.707 6.681 -6.591 1.00 2.02 N ATOM 901 CA LYS A 61 -3.870 5.521 -6.546 1.00 14.32 C ATOM 902 C LYS A 61 -2.451 5.887 -6.976 1.00 71.30 C ATOM 903 O LYS A 61 -2.248 6.850 -7.724 1.00 22.55 O ATOM 904 CB LYS A 61 -4.451 4.428 -7.467 1.00 62.20 C ATOM 905 CG LYS A 61 -5.898 4.023 -7.152 1.00 61.32 C ATOM 906 CD LYS A 61 -6.437 2.953 -8.109 1.00 52.11 C ATOM 907 CE LYS A 61 -5.729 1.618 -7.951 1.00 21.43 C ATOM 908 NZ LYS A 61 -6.275 0.591 -8.869 1.00 71.10 N ATOM 0 H LYS A 61 -4.673 7.199 -7.469 1.00 2.02 H new ATOM 0 HA LYS A 61 -3.834 5.138 -5.526 1.00 14.32 H new ATOM 0 HB2 LYS A 61 -4.403 4.778 -8.498 1.00 62.20 H new ATOM 0 HB3 LYS A 61 -3.818 3.543 -7.401 1.00 62.20 H new ATOM 0 HG2 LYS A 61 -5.952 3.650 -6.129 1.00 61.32 H new ATOM 0 HG3 LYS A 61 -6.537 4.905 -7.203 1.00 61.32 H new ATOM 0 HD2 LYS A 61 -7.504 2.817 -7.933 1.00 52.11 H new ATOM 0 HD3 LYS A 61 -6.325 3.300 -9.136 1.00 52.11 H new ATOM 0 HE2 LYS A 61 -4.664 1.747 -8.143 1.00 21.43 H new ATOM 0 HE3 LYS A 61 -5.828 1.274 -6.921 1.00 21.43 H new ATOM 0 HZ1 LYS A 61 -5.765 -0.305 -8.730 1.00 71.10 H new ATOM 0 HZ2 LYS A 61 -7.286 0.449 -8.669 1.00 71.10 H new ATOM 0 HZ3 LYS A 61 -6.158 0.907 -9.853 1.00 71.10 H new ATOM 922 N VAL A 62 -1.483 5.153 -6.497 1.00 71.00 N ATOM 923 CA VAL A 62 -0.095 5.371 -6.873 1.00 11.13 C ATOM 924 C VAL A 62 0.372 4.178 -7.678 1.00 24.54 C ATOM 925 O VAL A 62 0.312 3.061 -7.196 1.00 31.23 O ATOM 926 CB VAL A 62 0.825 5.484 -5.624 1.00 31.53 C ATOM 927 CG1 VAL A 62 2.263 5.784 -6.025 1.00 72.33 C ATOM 928 CG2 VAL A 62 0.335 6.536 -4.676 1.00 65.43 C ATOM 0 H VAL A 62 -1.624 4.388 -5.837 1.00 71.00 H new ATOM 0 HA VAL A 62 -0.037 6.300 -7.441 1.00 11.13 H new ATOM 0 HB VAL A 62 0.795 4.519 -5.118 1.00 31.53 H new ATOM 0 HG11 VAL A 62 2.882 5.857 -5.131 1.00 72.33 H new ATOM 0 HG12 VAL A 62 2.638 4.983 -6.661 1.00 72.33 H new ATOM 0 HG13 VAL A 62 2.300 6.727 -6.570 1.00 72.33 H new ATOM 0 HG21 VAL A 62 1.001 6.588 -3.815 1.00 65.43 H new ATOM 0 HG22 VAL A 62 0.319 7.502 -5.181 1.00 65.43 H new ATOM 0 HG23 VAL A 62 -0.671 6.284 -4.342 1.00 65.43 H new ATOM 938 N ASN A 63 0.828 4.399 -8.877 1.00 73.14 N ATOM 939 CA ASN A 63 1.316 3.299 -9.694 1.00 11.24 C ATOM 940 C ASN A 63 2.827 3.226 -9.591 1.00 12.41 C ATOM 941 O ASN A 63 3.532 4.151 -10.003 1.00 72.41 O ATOM 942 CB ASN A 63 0.875 3.461 -11.155 1.00 12.45 C ATOM 943 CG ASN A 63 1.340 2.317 -12.054 1.00 70.03 C ATOM 944 OD1 ASN A 63 1.496 1.177 -11.613 1.00 54.50 O ATOM 945 ND2 ASN A 63 1.575 2.617 -13.310 1.00 61.15 N ATOM 0 H ASN A 63 0.877 5.318 -9.318 1.00 73.14 H new ATOM 0 HA ASN A 63 0.888 2.367 -9.325 1.00 11.24 H new ATOM 0 HB2 ASN A 63 -0.212 3.527 -11.194 1.00 12.45 H new ATOM 0 HB3 ASN A 63 1.265 4.402 -11.544 1.00 12.45 H new ATOM 0 HD21 ASN A 63 1.897 1.896 -13.955 1.00 61.15 H new ATOM 0 HD22 ASN A 63 1.435 3.572 -13.641 1.00 61.15 H new ATOM 952 N GLY A 64 3.317 2.148 -9.040 1.00 65.53 N ATOM 953 CA GLY A 64 4.725 2.001 -8.836 1.00 54.35 C ATOM 954 C GLY A 64 5.168 0.573 -8.979 1.00 75.14 C ATOM 955 O GLY A 64 4.605 -0.179 -9.773 1.00 75.24 O ATOM 0 H GLY A 64 2.755 1.357 -8.724 1.00 65.53 H new ATOM 0 HA2 GLY A 64 5.262 2.621 -9.554 1.00 54.35 H new ATOM 0 HA3 GLY A 64 4.987 2.364 -7.842 1.00 54.35 H new ATOM 959 N LYS A 65 6.166 0.188 -8.236 1.00 31.43 N ATOM 960 CA LYS A 65 6.649 -1.167 -8.268 1.00 2.23 C ATOM 961 C LYS A 65 6.971 -1.583 -6.864 1.00 71.31 C ATOM 962 O LYS A 65 7.378 -0.756 -6.046 1.00 42.24 O ATOM 963 CB LYS A 65 7.903 -1.349 -9.170 1.00 71.23 C ATOM 964 CG LYS A 65 7.728 -0.878 -10.633 1.00 10.23 C ATOM 965 CD LYS A 65 8.983 -1.125 -11.476 1.00 25.05 C ATOM 966 CE LYS A 65 9.224 -2.611 -11.716 1.00 13.52 C ATOM 967 NZ LYS A 65 10.514 -2.869 -12.391 1.00 71.31 N ATOM 0 H LYS A 65 6.668 0.800 -7.593 1.00 31.43 H new ATOM 0 HA LYS A 65 5.867 -1.791 -8.700 1.00 2.23 H new ATOM 0 HB2 LYS A 65 8.735 -0.803 -8.725 1.00 71.23 H new ATOM 0 HB3 LYS A 65 8.180 -2.403 -9.174 1.00 71.23 H new ATOM 0 HG2 LYS A 65 6.883 -1.400 -11.082 1.00 10.23 H new ATOM 0 HG3 LYS A 65 7.489 0.185 -10.644 1.00 10.23 H new ATOM 0 HD2 LYS A 65 8.883 -0.614 -12.434 1.00 25.05 H new ATOM 0 HD3 LYS A 65 9.849 -0.694 -10.973 1.00 25.05 H new ATOM 0 HE2 LYS A 65 9.204 -3.139 -10.762 1.00 13.52 H new ATOM 0 HE3 LYS A 65 8.413 -3.015 -12.321 1.00 13.52 H new ATOM 0 HZ1 LYS A 65 10.417 -3.689 -13.023 1.00 71.31 H new ATOM 0 HZ2 LYS A 65 10.788 -2.034 -12.947 1.00 71.31 H new ATOM 0 HZ3 LYS A 65 11.245 -3.066 -11.678 1.00 71.31 H new ATOM 981 N VAL A 66 6.763 -2.825 -6.576 1.00 0.11 N ATOM 982 CA VAL A 66 7.049 -3.349 -5.274 1.00 13.31 C ATOM 983 C VAL A 66 8.314 -4.176 -5.292 1.00 4.11 C ATOM 984 O VAL A 66 8.532 -4.970 -6.215 1.00 35.12 O ATOM 985 CB VAL A 66 5.865 -4.145 -4.655 1.00 64.54 C ATOM 986 CG1 VAL A 66 4.675 -3.244 -4.478 1.00 42.34 C ATOM 987 CG2 VAL A 66 5.481 -5.335 -5.500 1.00 22.54 C ATOM 0 H VAL A 66 6.390 -3.509 -7.234 1.00 0.11 H new ATOM 0 HA VAL A 66 7.203 -2.488 -4.624 1.00 13.31 H new ATOM 0 HB VAL A 66 6.194 -4.518 -3.685 1.00 64.54 H new ATOM 0 HG11 VAL A 66 3.851 -3.810 -4.044 1.00 42.34 H new ATOM 0 HG12 VAL A 66 4.938 -2.420 -3.815 1.00 42.34 H new ATOM 0 HG13 VAL A 66 4.372 -2.847 -5.447 1.00 42.34 H new ATOM 0 HG21 VAL A 66 4.650 -5.862 -5.030 1.00 22.54 H new ATOM 0 HG22 VAL A 66 5.181 -4.996 -6.492 1.00 22.54 H new ATOM 0 HG23 VAL A 66 6.334 -6.008 -5.589 1.00 22.54 H new ATOM 997 N ILE A 67 9.154 -3.966 -4.309 1.00 35.03 N ATOM 998 CA ILE A 67 10.406 -4.683 -4.197 1.00 3.10 C ATOM 999 C ILE A 67 10.058 -5.950 -3.463 1.00 52.42 C ATOM 1000 O ILE A 67 9.668 -5.898 -2.293 1.00 51.53 O ATOM 1001 CB ILE A 67 11.425 -3.915 -3.297 1.00 64.42 C ATOM 1002 CG1 ILE A 67 11.360 -2.414 -3.523 1.00 51.25 C ATOM 1003 CG2 ILE A 67 12.845 -4.385 -3.619 1.00 41.02 C ATOM 1004 CD1 ILE A 67 12.199 -1.651 -2.522 1.00 50.02 C ATOM 0 H ILE A 67 8.991 -3.292 -3.561 1.00 35.03 H new ATOM 0 HA ILE A 67 10.849 -4.828 -5.182 1.00 3.10 H new ATOM 0 HB ILE A 67 11.167 -4.125 -2.259 1.00 64.42 H new ATOM 0 HG12 ILE A 67 11.702 -2.185 -4.532 1.00 51.25 H new ATOM 0 HG13 ILE A 67 10.324 -2.082 -3.455 1.00 51.25 H new ATOM 0 HG21 ILE A 67 13.557 -3.849 -2.991 1.00 41.02 H new ATOM 0 HG22 ILE A 67 12.926 -5.455 -3.428 1.00 41.02 H new ATOM 0 HG23 ILE A 67 13.065 -4.186 -4.668 1.00 41.02 H new ATOM 0 HD11 ILE A 67 12.122 -0.582 -2.722 1.00 50.02 H new ATOM 0 HD12 ILE A 67 11.840 -1.858 -1.514 1.00 50.02 H new ATOM 0 HD13 ILE A 67 13.240 -1.962 -2.608 1.00 50.02 H new ATOM 1016 N THR A 68 10.137 -7.057 -4.134 1.00 71.21 N ATOM 1017 CA THR A 68 9.712 -8.297 -3.547 1.00 23.10 C ATOM 1018 C THR A 68 10.893 -9.104 -3.017 1.00 35.24 C ATOM 1019 O THR A 68 12.046 -8.850 -3.390 1.00 0.54 O ATOM 1020 CB THR A 68 8.906 -9.140 -4.566 1.00 52.50 C ATOM 1021 OG1 THR A 68 9.709 -9.419 -5.729 1.00 64.42 O ATOM 1022 CG2 THR A 68 7.647 -8.406 -5.003 1.00 11.11 C ATOM 0 H THR A 68 10.491 -7.131 -5.088 1.00 71.21 H new ATOM 0 HA THR A 68 9.067 -8.051 -2.703 1.00 23.10 H new ATOM 0 HB THR A 68 8.626 -10.073 -4.077 1.00 52.50 H new ATOM 0 HG1 THR A 68 9.939 -8.578 -6.177 1.00 64.42 H new ATOM 0 HG21 THR A 68 7.098 -9.019 -5.718 1.00 11.11 H new ATOM 0 HG22 THR A 68 7.018 -8.213 -4.134 1.00 11.11 H new ATOM 0 HG23 THR A 68 7.921 -7.460 -5.470 1.00 11.11 H new ATOM 1030 N GLY A 69 10.594 -10.057 -2.138 1.00 51.53 N ATOM 1031 CA GLY A 69 11.610 -10.942 -1.604 1.00 2.32 C ATOM 1032 C GLY A 69 12.457 -10.289 -0.533 1.00 31.34 C ATOM 1033 O GLY A 69 13.665 -10.567 -0.421 1.00 64.20 O ATOM 0 H GLY A 69 9.654 -10.231 -1.784 1.00 51.53 H new ATOM 0 HA2 GLY A 69 11.131 -11.829 -1.190 1.00 2.32 H new ATOM 0 HA3 GLY A 69 12.255 -11.278 -2.416 1.00 2.32 H new ATOM 1037 N VAL A 70 11.848 -9.435 0.266 1.00 14.04 N ATOM 1038 CA VAL A 70 12.575 -8.770 1.303 1.00 60.32 C ATOM 1039 C VAL A 70 12.363 -9.513 2.611 1.00 23.11 C ATOM 1040 O VAL A 70 11.238 -9.744 3.017 1.00 32.44 O ATOM 1041 CB VAL A 70 12.130 -7.293 1.456 1.00 13.13 C ATOM 1042 CG1 VAL A 70 12.948 -6.600 2.514 1.00 63.44 C ATOM 1043 CG2 VAL A 70 12.238 -6.551 0.128 1.00 52.31 C ATOM 0 H VAL A 70 10.859 -9.193 0.210 1.00 14.04 H new ATOM 0 HA VAL A 70 13.632 -8.769 1.038 1.00 60.32 H new ATOM 0 HB VAL A 70 11.085 -7.286 1.766 1.00 13.13 H new ATOM 0 HG11 VAL A 70 12.621 -5.564 2.607 1.00 63.44 H new ATOM 0 HG12 VAL A 70 12.815 -7.109 3.468 1.00 63.44 H new ATOM 0 HG13 VAL A 70 14.001 -6.624 2.234 1.00 63.44 H new ATOM 0 HG21 VAL A 70 11.920 -5.517 0.262 1.00 52.31 H new ATOM 0 HG22 VAL A 70 13.272 -6.571 -0.217 1.00 52.31 H new ATOM 0 HG23 VAL A 70 11.599 -7.034 -0.612 1.00 52.31 H new ATOM 1053 N SER A 71 13.426 -9.906 3.244 1.00 44.30 N ATOM 1054 CA SER A 71 13.330 -10.615 4.495 1.00 74.41 C ATOM 1055 C SER A 71 13.032 -9.600 5.611 1.00 43.42 C ATOM 1056 O SER A 71 13.308 -8.423 5.440 1.00 71.42 O ATOM 1057 CB SER A 71 14.650 -11.334 4.718 1.00 5.32 C ATOM 1058 OG SER A 71 14.977 -12.110 3.563 1.00 50.21 O ATOM 0 H SER A 71 14.379 -9.749 2.916 1.00 44.30 H new ATOM 0 HA SER A 71 12.526 -11.351 4.490 1.00 74.41 H new ATOM 0 HB2 SER A 71 15.440 -10.610 4.917 1.00 5.32 H new ATOM 0 HB3 SER A 71 14.580 -11.979 5.594 1.00 5.32 H new ATOM 0 HG SER A 71 15.499 -12.894 3.833 1.00 50.21 H new ATOM 1064 N ASP A 72 12.469 -10.047 6.739 1.00 72.41 N ATOM 1065 CA ASP A 72 12.088 -9.128 7.850 1.00 24.24 C ATOM 1066 C ASP A 72 13.259 -8.309 8.340 1.00 42.23 C ATOM 1067 O ASP A 72 13.150 -7.107 8.548 1.00 51.41 O ATOM 1068 CB ASP A 72 11.437 -9.883 9.039 1.00 23.34 C ATOM 1069 CG ASP A 72 12.361 -10.835 9.779 1.00 10.34 C ATOM 1070 OD1 ASP A 72 12.634 -11.934 9.264 1.00 64.33 O ATOM 1071 OD2 ASP A 72 12.835 -10.480 10.887 1.00 1.12 O ATOM 0 H ASP A 72 12.263 -11.030 6.919 1.00 72.41 H new ATOM 0 HA ASP A 72 11.347 -8.448 7.431 1.00 24.24 H new ATOM 0 HB2 ASP A 72 11.052 -9.150 9.748 1.00 23.34 H new ATOM 0 HB3 ASP A 72 10.581 -10.447 8.667 1.00 23.34 H new ATOM 1076 N ALA A 73 14.359 -8.957 8.467 1.00 43.32 N ATOM 1077 CA ALA A 73 15.589 -8.350 8.957 1.00 50.54 C ATOM 1078 C ALA A 73 16.173 -7.409 7.924 1.00 32.21 C ATOM 1079 O ALA A 73 16.663 -6.334 8.249 1.00 71.33 O ATOM 1080 CB ALA A 73 16.593 -9.430 9.334 1.00 3.42 C ATOM 0 H ALA A 73 14.454 -9.946 8.234 1.00 43.32 H new ATOM 0 HA ALA A 73 15.357 -7.766 9.848 1.00 50.54 H new ATOM 0 HB1 ALA A 73 17.508 -8.964 9.699 1.00 3.42 H new ATOM 0 HB2 ALA A 73 16.171 -10.062 10.115 1.00 3.42 H new ATOM 0 HB3 ALA A 73 16.819 -10.038 8.458 1.00 3.42 H new ATOM 1086 N GLU A 74 16.078 -7.808 6.679 1.00 20.15 N ATOM 1087 CA GLU A 74 16.600 -7.024 5.577 1.00 33.13 C ATOM 1088 C GLU A 74 15.726 -5.820 5.314 1.00 43.01 C ATOM 1089 O GLU A 74 16.200 -4.775 4.876 1.00 60.30 O ATOM 1090 CB GLU A 74 16.763 -7.886 4.338 1.00 24.13 C ATOM 1091 CG GLU A 74 17.696 -9.062 4.561 1.00 31.11 C ATOM 1092 CD GLU A 74 19.054 -8.627 5.061 1.00 42.12 C ATOM 1093 OE1 GLU A 74 19.235 -8.515 6.293 1.00 45.43 O ATOM 1094 OE2 GLU A 74 19.956 -8.395 4.245 1.00 53.14 O ATOM 0 H GLU A 74 15.638 -8.684 6.397 1.00 20.15 H new ATOM 0 HA GLU A 74 17.588 -6.653 5.850 1.00 33.13 H new ATOM 0 HB2 GLU A 74 15.786 -8.256 4.027 1.00 24.13 H new ATOM 0 HB3 GLU A 74 17.146 -7.273 3.522 1.00 24.13 H new ATOM 0 HG2 GLU A 74 17.248 -9.747 5.281 1.00 31.11 H new ATOM 0 HG3 GLU A 74 17.814 -9.612 3.627 1.00 31.11 H new ATOM 1101 N LEU A 75 14.447 -5.977 5.605 1.00 5.43 N ATOM 1102 CA LEU A 75 13.463 -4.916 5.490 1.00 52.10 C ATOM 1103 C LEU A 75 13.881 -3.744 6.363 1.00 50.44 C ATOM 1104 O LEU A 75 13.699 -2.579 5.998 1.00 60.02 O ATOM 1105 CB LEU A 75 12.067 -5.488 5.887 1.00 13.43 C ATOM 1106 CG LEU A 75 10.822 -4.569 5.864 1.00 72.04 C ATOM 1107 CD1 LEU A 75 10.824 -3.577 7.004 1.00 11.04 C ATOM 1108 CD2 LEU A 75 10.710 -3.850 4.533 1.00 5.31 C ATOM 0 H LEU A 75 14.057 -6.860 5.933 1.00 5.43 H new ATOM 0 HA LEU A 75 13.398 -4.548 4.466 1.00 52.10 H new ATOM 0 HB2 LEU A 75 11.861 -6.330 5.226 1.00 13.43 H new ATOM 0 HB3 LEU A 75 12.156 -5.889 6.897 1.00 13.43 H new ATOM 0 HG LEU A 75 9.949 -5.209 5.993 1.00 72.04 H new ATOM 0 HD11 LEU A 75 9.931 -2.954 6.946 1.00 11.04 H new ATOM 0 HD12 LEU A 75 10.831 -4.113 7.953 1.00 11.04 H new ATOM 0 HD13 LEU A 75 11.711 -2.947 6.937 1.00 11.04 H new ATOM 0 HD21 LEU A 75 9.828 -3.209 4.539 1.00 5.31 H new ATOM 0 HD22 LEU A 75 11.600 -3.241 4.372 1.00 5.31 H new ATOM 0 HD23 LEU A 75 10.622 -4.582 3.730 1.00 5.31 H new ATOM 1120 N ASN A 76 14.483 -4.067 7.493 1.00 33.33 N ATOM 1121 CA ASN A 76 14.959 -3.066 8.430 1.00 50.24 C ATOM 1122 C ASN A 76 15.977 -2.140 7.799 1.00 21.23 C ATOM 1123 O ASN A 76 16.073 -0.995 8.182 1.00 30.21 O ATOM 1124 CB ASN A 76 15.515 -3.677 9.733 1.00 3.34 C ATOM 1125 CG ASN A 76 14.451 -4.240 10.686 1.00 14.42 C ATOM 1126 OD1 ASN A 76 14.647 -4.256 11.905 1.00 63.12 O ATOM 1127 ND2 ASN A 76 13.330 -4.693 10.162 1.00 0.32 N ATOM 0 H ASN A 76 14.655 -5.028 7.787 1.00 33.33 H new ATOM 0 HA ASN A 76 14.083 -2.477 8.701 1.00 50.24 H new ATOM 0 HB2 ASN A 76 16.211 -4.476 9.475 1.00 3.34 H new ATOM 0 HB3 ASN A 76 16.087 -2.914 10.260 1.00 3.34 H new ATOM 0 HD21 ASN A 76 12.599 -5.068 10.767 1.00 0.32 H new ATOM 0 HD22 ASN A 76 13.193 -4.668 9.152 1.00 0.32 H new ATOM 1134 N ASN A 77 16.712 -2.618 6.787 1.00 41.43 N ATOM 1135 CA ASN A 77 17.767 -1.803 6.191 1.00 42.05 C ATOM 1136 C ASN A 77 17.136 -0.625 5.454 1.00 50.30 C ATOM 1137 O ASN A 77 17.702 0.459 5.396 1.00 41.51 O ATOM 1138 CB ASN A 77 18.640 -2.607 5.220 1.00 13.11 C ATOM 1139 CG ASN A 77 20.012 -1.965 4.986 1.00 43.53 C ATOM 1140 OD1 ASN A 77 20.583 -2.050 3.901 1.00 40.43 O ATOM 1141 ND2 ASN A 77 20.579 -1.376 6.021 1.00 74.25 N ATOM 0 H ASN A 77 16.597 -3.544 6.374 1.00 41.43 H new ATOM 0 HA ASN A 77 18.411 -1.450 6.996 1.00 42.05 H new ATOM 0 HB2 ASN A 77 18.777 -3.615 5.611 1.00 13.11 H new ATOM 0 HB3 ASN A 77 18.121 -2.703 4.266 1.00 13.11 H new ATOM 0 HD21 ASN A 77 21.514 -0.977 5.932 1.00 74.25 H new ATOM 0 HD22 ASN A 77 20.083 -1.319 6.910 1.00 74.25 H new ATOM 1148 N PHE A 78 15.934 -0.851 4.917 1.00 40.22 N ATOM 1149 CA PHE A 78 15.193 0.192 4.213 1.00 72.21 C ATOM 1150 C PHE A 78 14.626 1.170 5.231 1.00 54.12 C ATOM 1151 O PHE A 78 14.485 2.357 4.972 1.00 13.32 O ATOM 1152 CB PHE A 78 14.022 -0.407 3.407 1.00 4.42 C ATOM 1153 CG PHE A 78 14.396 -1.438 2.401 1.00 64.13 C ATOM 1154 CD1 PHE A 78 14.451 -2.757 2.756 1.00 62.12 C ATOM 1155 CD2 PHE A 78 14.687 -1.090 1.102 1.00 42.15 C ATOM 1156 CE1 PHE A 78 14.790 -3.718 1.846 1.00 12.10 C ATOM 1157 CE2 PHE A 78 15.038 -2.052 0.178 1.00 41.20 C ATOM 1158 CZ PHE A 78 15.091 -3.366 0.552 1.00 22.13 C ATOM 0 H PHE A 78 15.455 -1.750 4.958 1.00 40.22 H new ATOM 0 HA PHE A 78 15.875 0.694 3.526 1.00 72.21 H new ATOM 0 HB2 PHE A 78 13.311 -0.848 4.106 1.00 4.42 H new ATOM 0 HB3 PHE A 78 13.504 0.404 2.895 1.00 4.42 H new ATOM 0 HD1 PHE A 78 14.223 -3.044 3.772 1.00 62.12 H new ATOM 0 HD2 PHE A 78 14.640 -0.053 0.803 1.00 42.15 H new ATOM 0 HE1 PHE A 78 14.821 -4.756 2.144 1.00 12.10 H new ATOM 0 HE2 PHE A 78 15.270 -1.768 -0.838 1.00 41.20 H new ATOM 0 HZ PHE A 78 15.368 -4.124 -0.166 1.00 22.13 H new ATOM 1168 N ASP A 79 14.300 0.645 6.386 1.00 0.43 N ATOM 1169 CA ASP A 79 13.709 1.418 7.468 1.00 54.22 C ATOM 1170 C ASP A 79 14.770 2.315 8.121 1.00 22.10 C ATOM 1171 O ASP A 79 14.474 3.401 8.606 1.00 3.54 O ATOM 1172 CB ASP A 79 13.067 0.467 8.477 1.00 3.25 C ATOM 1173 CG ASP A 79 12.230 1.162 9.519 1.00 32.01 C ATOM 1174 OD1 ASP A 79 11.051 1.452 9.239 1.00 61.23 O ATOM 1175 OD2 ASP A 79 12.716 1.379 10.646 1.00 63.23 O ATOM 0 H ASP A 79 14.436 -0.341 6.611 1.00 0.43 H new ATOM 0 HA ASP A 79 12.931 2.072 7.075 1.00 54.22 H new ATOM 0 HB2 ASP A 79 12.443 -0.249 7.942 1.00 3.25 H new ATOM 0 HB3 ASP A 79 13.851 -0.103 8.975 1.00 3.25 H new ATOM 1180 N VAL A 80 16.020 1.833 8.115 1.00 15.44 N ATOM 1181 CA VAL A 80 17.185 2.590 8.619 1.00 70.34 C ATOM 1182 C VAL A 80 17.468 3.825 7.727 1.00 42.41 C ATOM 1183 O VAL A 80 18.090 4.803 8.169 1.00 43.31 O ATOM 1184 CB VAL A 80 18.467 1.673 8.706 1.00 64.41 C ATOM 1185 CG1 VAL A 80 19.706 2.453 9.138 1.00 60.24 C ATOM 1186 CG2 VAL A 80 18.239 0.528 9.678 1.00 54.03 C ATOM 0 H VAL A 80 16.257 0.906 7.761 1.00 15.44 H new ATOM 0 HA VAL A 80 16.944 2.935 9.624 1.00 70.34 H new ATOM 0 HB VAL A 80 18.641 1.282 7.703 1.00 64.41 H new ATOM 0 HG11 VAL A 80 20.562 1.780 9.183 1.00 60.24 H new ATOM 0 HG12 VAL A 80 19.906 3.246 8.418 1.00 60.24 H new ATOM 0 HG13 VAL A 80 19.536 2.891 10.122 1.00 60.24 H new ATOM 0 HG21 VAL A 80 19.133 -0.093 9.725 1.00 54.03 H new ATOM 0 HG22 VAL A 80 18.024 0.929 10.668 1.00 54.03 H new ATOM 0 HG23 VAL A 80 17.396 -0.074 9.339 1.00 54.03 H new ATOM 1196 N ILE A 81 17.002 3.768 6.485 1.00 34.50 N ATOM 1197 CA ILE A 81 17.182 4.855 5.522 1.00 72.23 C ATOM 1198 C ILE A 81 16.554 6.171 6.049 1.00 15.33 C ATOM 1199 O ILE A 81 15.512 6.147 6.711 1.00 75.33 O ATOM 1200 CB ILE A 81 16.578 4.475 4.130 1.00 43.34 C ATOM 1201 CG1 ILE A 81 17.269 3.223 3.546 1.00 54.31 C ATOM 1202 CG2 ILE A 81 16.645 5.631 3.142 1.00 10.33 C ATOM 1203 CD1 ILE A 81 18.761 3.372 3.312 1.00 33.23 C ATOM 0 H ILE A 81 16.488 2.968 6.114 1.00 34.50 H new ATOM 0 HA ILE A 81 18.253 5.015 5.395 1.00 72.23 H new ATOM 0 HB ILE A 81 15.525 4.245 4.295 1.00 43.34 H new ATOM 0 HG12 ILE A 81 17.103 2.385 4.223 1.00 54.31 H new ATOM 0 HG13 ILE A 81 16.790 2.969 2.600 1.00 54.31 H new ATOM 0 HG21 ILE A 81 16.215 5.321 2.190 1.00 10.33 H new ATOM 0 HG22 ILE A 81 16.084 6.479 3.535 1.00 10.33 H new ATOM 0 HG23 ILE A 81 17.685 5.922 2.993 1.00 10.33 H new ATOM 0 HD11 ILE A 81 19.159 2.444 2.901 1.00 33.23 H new ATOM 0 HD12 ILE A 81 18.940 4.186 2.610 1.00 33.23 H new ATOM 0 HD13 ILE A 81 19.257 3.593 4.257 1.00 33.23 H new ATOM 1215 N GLU A 82 17.229 7.286 5.749 1.00 50.54 N ATOM 1216 CA GLU A 82 16.862 8.658 6.167 1.00 40.13 C ATOM 1217 C GLU A 82 15.366 8.937 6.071 1.00 21.33 C ATOM 1218 O GLU A 82 14.800 8.964 4.977 1.00 13.10 O ATOM 1219 CB GLU A 82 17.634 9.692 5.315 1.00 24.41 C ATOM 1220 CG GLU A 82 19.146 9.790 5.583 1.00 43.05 C ATOM 1221 CD GLU A 82 19.891 8.480 5.475 1.00 23.42 C ATOM 1222 OE1 GLU A 82 20.144 8.005 4.350 1.00 23.32 O ATOM 1223 OE2 GLU A 82 20.248 7.905 6.524 1.00 72.23 O ATOM 0 H GLU A 82 18.080 7.265 5.187 1.00 50.54 H new ATOM 0 HA GLU A 82 17.136 8.746 7.218 1.00 40.13 H new ATOM 0 HB2 GLU A 82 17.486 9.449 4.263 1.00 24.41 H new ATOM 0 HB3 GLU A 82 17.191 10.674 5.481 1.00 24.41 H new ATOM 0 HG2 GLU A 82 19.581 10.499 4.879 1.00 43.05 H new ATOM 0 HG3 GLU A 82 19.299 10.198 6.582 1.00 43.05 H new ATOM 1230 N GLY A 83 14.738 9.141 7.214 1.00 41.43 N ATOM 1231 CA GLY A 83 13.334 9.427 7.233 1.00 21.24 C ATOM 1232 C GLY A 83 12.751 9.460 8.625 1.00 24.34 C ATOM 1233 O GLY A 83 12.215 8.466 9.102 1.00 42.30 O ATOM 0 H GLY A 83 15.183 9.112 8.131 1.00 41.43 H new ATOM 0 HA2 GLY A 83 13.159 10.389 6.750 1.00 21.24 H new ATOM 0 HA3 GLY A 83 12.809 8.675 6.644 1.00 21.24 H new ATOM 1237 N ASN A 84 12.843 10.601 9.279 1.00 40.41 N ATOM 1238 CA ASN A 84 12.286 10.752 10.629 1.00 65.14 C ATOM 1239 C ASN A 84 10.802 11.048 10.589 1.00 21.51 C ATOM 1240 O ASN A 84 10.053 10.629 11.474 1.00 50.33 O ATOM 1241 CB ASN A 84 12.999 11.836 11.463 1.00 40.12 C ATOM 1242 CG ASN A 84 14.433 11.496 11.827 1.00 3.34 C ATOM 1243 OD1 ASN A 84 15.373 11.839 11.109 1.00 32.44 O ATOM 1244 ND2 ASN A 84 14.608 10.815 12.937 1.00 43.21 N ATOM 0 H ASN A 84 13.293 11.438 8.909 1.00 40.41 H new ATOM 0 HA ASN A 84 12.453 9.792 11.118 1.00 65.14 H new ATOM 0 HB2 ASN A 84 12.989 12.773 10.906 1.00 40.12 H new ATOM 0 HB3 ASN A 84 12.433 12.005 12.379 1.00 40.12 H new ATOM 0 HD21 ASN A 84 15.549 10.552 13.231 1.00 43.21 H new ATOM 0 HD22 ASN A 84 13.803 10.550 13.505 1.00 43.21 H new ATOM 1251 N ASP A 85 10.364 11.762 9.572 1.00 32.42 N ATOM 1252 CA ASP A 85 8.954 12.138 9.487 1.00 33.32 C ATOM 1253 C ASP A 85 8.139 11.231 8.597 1.00 42.52 C ATOM 1254 O ASP A 85 6.949 11.458 8.394 1.00 11.44 O ATOM 1255 CB ASP A 85 8.738 13.605 9.124 1.00 74.45 C ATOM 1256 CG ASP A 85 9.129 14.559 10.220 1.00 4.54 C ATOM 1257 OD1 ASP A 85 8.320 14.770 11.148 1.00 13.42 O ATOM 1258 OD2 ASP A 85 10.246 15.125 10.168 1.00 51.35 O ATOM 0 H ASP A 85 10.946 12.092 8.802 1.00 32.42 H new ATOM 0 HA ASP A 85 8.580 12.002 10.502 1.00 33.32 H new ATOM 0 HB2 ASP A 85 9.314 13.838 8.228 1.00 74.45 H new ATOM 0 HB3 ASP A 85 7.688 13.759 8.877 1.00 74.45 H new ATOM 1263 N TYR A 86 8.745 10.218 8.059 1.00 12.35 N ATOM 1264 CA TYR A 86 7.975 9.234 7.368 1.00 64.34 C ATOM 1265 C TYR A 86 8.183 7.861 7.966 1.00 73.34 C ATOM 1266 O TYR A 86 9.297 7.519 8.372 1.00 75.12 O ATOM 1267 CB TYR A 86 8.023 9.297 5.816 1.00 60.22 C ATOM 1268 CG TYR A 86 9.358 9.241 5.127 1.00 22.05 C ATOM 1269 CD1 TYR A 86 10.308 10.228 5.304 1.00 74.14 C ATOM 1270 CD2 TYR A 86 9.637 8.220 4.249 1.00 63.43 C ATOM 1271 CE1 TYR A 86 11.505 10.185 4.624 1.00 71.23 C ATOM 1272 CE2 TYR A 86 10.828 8.158 3.574 1.00 73.55 C ATOM 1273 CZ TYR A 86 11.760 9.139 3.761 1.00 53.12 C ATOM 1274 OH TYR A 86 12.946 9.093 3.075 1.00 73.44 O ATOM 0 H TYR A 86 9.751 10.053 8.084 1.00 12.35 H new ATOM 0 HA TYR A 86 6.932 9.497 7.544 1.00 64.34 H new ATOM 0 HB2 TYR A 86 7.420 8.473 5.434 1.00 60.22 H new ATOM 0 HB3 TYR A 86 7.532 10.220 5.508 1.00 60.22 H new ATOM 0 HD1 TYR A 86 10.110 11.043 5.984 1.00 74.14 H new ATOM 0 HD2 TYR A 86 8.899 7.448 4.087 1.00 63.43 H new ATOM 0 HE1 TYR A 86 12.239 10.965 4.765 1.00 71.23 H new ATOM 0 HE2 TYR A 86 11.028 7.339 2.899 1.00 73.55 H new ATOM 0 HH TYR A 86 13.681 8.932 3.703 1.00 73.44 H new ATOM 1284 N GLU A 87 7.126 7.086 8.021 1.00 50.42 N ATOM 1285 CA GLU A 87 7.118 5.835 8.751 1.00 42.03 C ATOM 1286 C GLU A 87 6.699 4.699 7.837 1.00 33.24 C ATOM 1287 O GLU A 87 6.083 4.925 6.794 1.00 42.32 O ATOM 1288 CB GLU A 87 6.111 5.917 9.910 1.00 31.51 C ATOM 1289 CG GLU A 87 4.656 5.957 9.442 1.00 24.30 C ATOM 1290 CD GLU A 87 3.665 5.933 10.566 1.00 73.41 C ATOM 1291 OE1 GLU A 87 3.728 5.004 11.401 1.00 40.01 O ATOM 1292 OE2 GLU A 87 2.814 6.840 10.640 1.00 43.15 O ATOM 0 H GLU A 87 6.243 7.304 7.560 1.00 50.42 H new ATOM 0 HA GLU A 87 8.122 5.653 9.134 1.00 42.03 H new ATOM 0 HB2 GLU A 87 6.251 5.058 10.566 1.00 31.51 H new ATOM 0 HB3 GLU A 87 6.320 6.808 10.502 1.00 31.51 H new ATOM 0 HG2 GLU A 87 4.498 6.858 8.848 1.00 24.30 H new ATOM 0 HG3 GLU A 87 4.470 5.106 8.786 1.00 24.30 H new ATOM 1299 N ARG A 88 7.033 3.502 8.211 1.00 2.01 N ATOM 1300 CA ARG A 88 6.704 2.355 7.430 1.00 42.14 C ATOM 1301 C ARG A 88 5.333 1.832 7.834 1.00 31.22 C ATOM 1302 O ARG A 88 5.072 1.620 9.019 1.00 53.41 O ATOM 1303 CB ARG A 88 7.719 1.291 7.675 1.00 23.41 C ATOM 1304 CG ARG A 88 7.692 0.208 6.638 1.00 0.34 C ATOM 1305 CD ARG A 88 8.721 -0.810 6.953 1.00 23.54 C ATOM 1306 NE ARG A 88 8.306 -1.700 8.046 1.00 63.44 N ATOM 1307 CZ ARG A 88 8.779 -1.704 9.303 1.00 21.20 C ATOM 1308 NH1 ARG A 88 9.615 -0.758 9.729 1.00 25.43 N ATOM 1309 NH2 ARG A 88 8.382 -2.652 10.139 1.00 52.43 N ATOM 0 H ARG A 88 7.543 3.295 9.070 1.00 2.01 H new ATOM 0 HA ARG A 88 6.692 2.628 6.375 1.00 42.14 H new ATOM 0 HB2 ARG A 88 8.712 1.741 7.697 1.00 23.41 H new ATOM 0 HB3 ARG A 88 7.547 0.851 8.657 1.00 23.41 H new ATOM 0 HG2 ARG A 88 6.706 -0.255 6.607 1.00 0.34 H new ATOM 0 HG3 ARG A 88 7.876 0.632 5.651 1.00 0.34 H new ATOM 0 HD2 ARG A 88 8.927 -1.403 6.062 1.00 23.54 H new ATOM 0 HD3 ARG A 88 9.651 -0.311 7.226 1.00 23.54 H new ATOM 0 HE ARG A 88 7.584 -2.386 7.827 1.00 63.44 H new ATOM 0 HH11 ARG A 88 9.907 -0.013 9.097 1.00 25.43 H new ATOM 0 HH12 ARG A 88 9.963 -0.779 10.688 1.00 25.43 H new ATOM 0 HH21 ARG A 88 7.725 -3.367 9.825 1.00 52.43 H new ATOM 0 HH22 ARG A 88 8.733 -2.667 11.097 1.00 52.43 H new ATOM 1323 N VAL A 89 4.469 1.634 6.871 1.00 53.54 N ATOM 1324 CA VAL A 89 3.129 1.096 7.111 1.00 24.14 C ATOM 1325 C VAL A 89 2.796 0.040 6.095 1.00 50.31 C ATOM 1326 O VAL A 89 3.408 -0.015 5.023 1.00 34.33 O ATOM 1327 CB VAL A 89 2.008 2.169 7.078 1.00 1.13 C ATOM 1328 CG1 VAL A 89 2.149 3.147 8.229 1.00 75.43 C ATOM 1329 CG2 VAL A 89 2.008 2.901 5.745 1.00 3.45 C ATOM 0 H VAL A 89 4.664 1.838 5.891 1.00 53.54 H new ATOM 0 HA VAL A 89 3.162 0.680 8.118 1.00 24.14 H new ATOM 0 HB VAL A 89 1.051 1.659 7.191 1.00 1.13 H new ATOM 0 HG11 VAL A 89 1.349 3.886 8.178 1.00 75.43 H new ATOM 0 HG12 VAL A 89 2.086 2.608 9.174 1.00 75.43 H new ATOM 0 HG13 VAL A 89 3.113 3.651 8.162 1.00 75.43 H new ATOM 0 HG21 VAL A 89 1.215 3.649 5.741 1.00 3.45 H new ATOM 0 HG22 VAL A 89 2.971 3.391 5.599 1.00 3.45 H new ATOM 0 HG23 VAL A 89 1.838 2.188 4.938 1.00 3.45 H new ATOM 1339 N THR A 90 1.850 -0.779 6.423 1.00 70.51 N ATOM 1340 CA THR A 90 1.403 -1.813 5.551 1.00 23.42 C ATOM 1341 C THR A 90 0.202 -1.298 4.738 1.00 32.41 C ATOM 1342 O THR A 90 -0.746 -0.736 5.295 1.00 32.43 O ATOM 1343 CB THR A 90 1.006 -3.054 6.372 1.00 2.35 C ATOM 1344 OG1 THR A 90 2.111 -3.447 7.207 1.00 71.31 O ATOM 1345 CG2 THR A 90 0.632 -4.211 5.470 1.00 4.24 C ATOM 0 H THR A 90 1.360 -0.747 7.317 1.00 70.51 H new ATOM 0 HA THR A 90 2.205 -2.095 4.868 1.00 23.42 H new ATOM 0 HB THR A 90 0.140 -2.797 6.982 1.00 2.35 H new ATOM 0 HG1 THR A 90 1.860 -4.236 7.732 1.00 71.31 H new ATOM 0 HG21 THR A 90 0.357 -5.072 6.078 1.00 4.24 H new ATOM 0 HG22 THR A 90 -0.212 -3.925 4.843 1.00 4.24 H new ATOM 0 HG23 THR A 90 1.482 -4.470 4.839 1.00 4.24 H new ATOM 1353 N VAL A 91 0.273 -1.466 3.444 1.00 61.45 N ATOM 1354 CA VAL A 91 -0.752 -1.021 2.511 1.00 44.21 C ATOM 1355 C VAL A 91 -0.980 -2.138 1.496 1.00 72.54 C ATOM 1356 O VAL A 91 -0.116 -2.995 1.322 1.00 11.30 O ATOM 1357 CB VAL A 91 -0.302 0.276 1.774 1.00 34.34 C ATOM 1358 CG1 VAL A 91 -0.105 1.419 2.767 1.00 31.35 C ATOM 1359 CG2 VAL A 91 0.977 0.019 0.988 1.00 41.11 C ATOM 0 H VAL A 91 1.061 -1.927 2.989 1.00 61.45 H new ATOM 0 HA VAL A 91 -1.671 -0.798 3.053 1.00 44.21 H new ATOM 0 HB VAL A 91 -1.085 0.567 1.074 1.00 34.34 H new ATOM 0 HG11 VAL A 91 0.209 2.315 2.232 1.00 31.35 H new ATOM 0 HG12 VAL A 91 -1.043 1.616 3.286 1.00 31.35 H new ATOM 0 HG13 VAL A 91 0.660 1.143 3.493 1.00 31.35 H new ATOM 0 HG21 VAL A 91 1.280 0.933 0.478 1.00 41.11 H new ATOM 0 HG22 VAL A 91 1.767 -0.295 1.671 1.00 41.11 H new ATOM 0 HG23 VAL A 91 0.800 -0.766 0.252 1.00 41.11 H new ATOM 1369 N GLU A 92 -2.117 -2.174 0.859 1.00 25.13 N ATOM 1370 CA GLU A 92 -2.349 -3.215 -0.111 1.00 54.01 C ATOM 1371 C GLU A 92 -2.240 -2.627 -1.484 1.00 22.31 C ATOM 1372 O GLU A 92 -2.800 -1.562 -1.757 1.00 12.23 O ATOM 1373 CB GLU A 92 -3.736 -3.865 -0.016 1.00 21.21 C ATOM 1374 CG GLU A 92 -4.377 -3.920 1.335 1.00 52.13 C ATOM 1375 CD GLU A 92 -4.932 -2.571 1.772 1.00 50.10 C ATOM 1376 OE1 GLU A 92 -6.057 -2.220 1.358 1.00 23.23 O ATOM 1377 OE2 GLU A 92 -4.260 -1.842 2.519 1.00 30.41 O ATOM 0 H GLU A 92 -2.883 -1.513 0.987 1.00 25.13 H new ATOM 0 HA GLU A 92 -1.604 -3.984 0.092 1.00 54.01 H new ATOM 0 HB2 GLU A 92 -4.407 -3.328 -0.686 1.00 21.21 H new ATOM 0 HB3 GLU A 92 -3.657 -4.884 -0.394 1.00 21.21 H new ATOM 0 HG2 GLU A 92 -5.183 -4.654 1.322 1.00 52.13 H new ATOM 0 HG3 GLU A 92 -3.646 -4.263 2.067 1.00 52.13 H new ATOM 1384 N VAL A 93 -1.573 -3.305 -2.345 1.00 62.13 N ATOM 1385 CA VAL A 93 -1.422 -2.845 -3.683 1.00 13.32 C ATOM 1386 C VAL A 93 -1.844 -3.940 -4.619 1.00 63.12 C ATOM 1387 O VAL A 93 -1.943 -5.103 -4.227 1.00 11.45 O ATOM 1388 CB VAL A 93 0.044 -2.423 -4.016 1.00 65.34 C ATOM 1389 CG1 VAL A 93 0.536 -1.358 -3.071 1.00 32.11 C ATOM 1390 CG2 VAL A 93 0.982 -3.602 -4.010 1.00 65.32 C ATOM 0 H VAL A 93 -1.115 -4.194 -2.146 1.00 62.13 H new ATOM 0 HA VAL A 93 -2.046 -1.959 -3.800 1.00 13.32 H new ATOM 0 HB VAL A 93 0.032 -2.010 -5.025 1.00 65.34 H new ATOM 0 HG11 VAL A 93 1.559 -1.086 -3.330 1.00 32.11 H new ATOM 0 HG12 VAL A 93 -0.103 -0.479 -3.149 1.00 32.11 H new ATOM 0 HG13 VAL A 93 0.509 -1.737 -2.049 1.00 32.11 H new ATOM 0 HG21 VAL A 93 1.991 -3.265 -4.246 1.00 65.32 H new ATOM 0 HG22 VAL A 93 0.976 -4.067 -3.024 1.00 65.32 H new ATOM 0 HG23 VAL A 93 0.658 -4.328 -4.755 1.00 65.32 H new ATOM 1400 N VAL A 94 -2.110 -3.585 -5.819 1.00 41.01 N ATOM 1401 CA VAL A 94 -2.445 -4.544 -6.814 1.00 21.14 C ATOM 1402 C VAL A 94 -1.266 -4.769 -7.684 1.00 61.25 C ATOM 1403 O VAL A 94 -0.765 -3.839 -8.302 1.00 41.42 O ATOM 1404 CB VAL A 94 -3.658 -4.116 -7.656 1.00 63.20 C ATOM 1405 CG1 VAL A 94 -3.864 -5.069 -8.838 1.00 13.31 C ATOM 1406 CG2 VAL A 94 -4.898 -4.103 -6.790 1.00 43.44 C ATOM 0 H VAL A 94 -2.103 -2.619 -6.146 1.00 41.01 H new ATOM 0 HA VAL A 94 -2.725 -5.470 -6.311 1.00 21.14 H new ATOM 0 HB VAL A 94 -3.473 -3.116 -8.047 1.00 63.20 H new ATOM 0 HG11 VAL A 94 -4.728 -4.746 -9.419 1.00 13.31 H new ATOM 0 HG12 VAL A 94 -2.977 -5.061 -9.471 1.00 13.31 H new ATOM 0 HG13 VAL A 94 -4.034 -6.079 -8.466 1.00 13.31 H new ATOM 0 HG21 VAL A 94 -5.757 -3.799 -7.389 1.00 43.44 H new ATOM 0 HG22 VAL A 94 -5.071 -5.101 -6.387 1.00 43.44 H new ATOM 0 HG23 VAL A 94 -4.761 -3.399 -5.969 1.00 43.44 H new ATOM 1416 N ARG A 95 -0.823 -5.991 -7.710 1.00 34.12 N ATOM 1417 CA ARG A 95 0.286 -6.421 -8.497 1.00 65.41 C ATOM 1418 C ARG A 95 -0.186 -6.418 -9.948 1.00 11.44 C ATOM 1419 O ARG A 95 -0.790 -7.364 -10.419 1.00 65.30 O ATOM 1420 CB ARG A 95 0.700 -7.809 -7.998 1.00 44.34 C ATOM 1421 CG ARG A 95 1.984 -8.383 -8.538 1.00 71.12 C ATOM 1422 CD ARG A 95 2.283 -9.679 -7.813 1.00 52.21 C ATOM 1423 NE ARG A 95 3.564 -10.274 -8.179 1.00 11.31 N ATOM 1424 CZ ARG A 95 4.239 -11.131 -7.390 1.00 72.32 C ATOM 1425 NH1 ARG A 95 3.773 -11.438 -6.174 1.00 2.34 N ATOM 1426 NH2 ARG A 95 5.371 -11.666 -7.807 1.00 1.34 N ATOM 0 H ARG A 95 -1.243 -6.741 -7.161 1.00 34.12 H new ATOM 0 HA ARG A 95 1.161 -5.776 -8.418 1.00 65.41 H new ATOM 0 HB2 ARG A 95 0.780 -7.767 -6.912 1.00 44.34 H new ATOM 0 HB3 ARG A 95 -0.105 -8.505 -8.232 1.00 44.34 H new ATOM 0 HG2 ARG A 95 1.896 -8.562 -9.610 1.00 71.12 H new ATOM 0 HG3 ARG A 95 2.801 -7.676 -8.399 1.00 71.12 H new ATOM 0 HD2 ARG A 95 2.272 -9.495 -6.739 1.00 52.21 H new ATOM 0 HD3 ARG A 95 1.487 -10.394 -8.022 1.00 52.21 H new ATOM 0 HE ARG A 95 3.970 -10.027 -9.082 1.00 11.31 H new ATOM 0 HH11 ARG A 95 2.903 -11.022 -5.841 1.00 2.34 H new ATOM 0 HH12 ARG A 95 4.288 -12.088 -5.580 1.00 2.34 H new ATOM 0 HH21 ARG A 95 5.737 -11.431 -8.730 1.00 1.34 H new ATOM 0 HH22 ARG A 95 5.880 -12.315 -7.207 1.00 1.34 H new ATOM 1440 N MET A 96 0.069 -5.301 -10.584 1.00 3.14 N ATOM 1441 CA MET A 96 -0.459 -4.880 -11.886 1.00 33.50 C ATOM 1442 C MET A 96 -0.378 -5.930 -12.984 1.00 34.34 C ATOM 1443 O MET A 96 -1.385 -6.207 -13.649 1.00 72.13 O ATOM 1444 CB MET A 96 0.221 -3.541 -12.286 1.00 24.22 C ATOM 1445 CG MET A 96 -0.210 -2.895 -13.608 1.00 0.31 C ATOM 1446 SD MET A 96 0.382 -3.756 -15.096 1.00 22.11 S ATOM 1447 CE MET A 96 -0.336 -2.733 -16.380 1.00 42.20 C ATOM 0 H MET A 96 0.696 -4.601 -10.187 1.00 3.14 H new ATOM 0 HA MET A 96 -1.533 -4.734 -11.771 1.00 33.50 H new ATOM 0 HB2 MET A 96 0.043 -2.822 -11.487 1.00 24.22 H new ATOM 0 HB3 MET A 96 1.297 -3.710 -12.329 1.00 24.22 H new ATOM 0 HG2 MET A 96 -1.299 -2.851 -13.638 1.00 0.31 H new ATOM 0 HG3 MET A 96 0.152 -1.867 -13.630 1.00 0.31 H new ATOM 0 HE1 MET A 96 -0.064 -3.131 -17.357 1.00 42.20 H new ATOM 0 HE2 MET A 96 -1.421 -2.730 -16.279 1.00 42.20 H new ATOM 0 HE3 MET A 96 0.040 -1.714 -16.286 1.00 42.20 H new ATOM 1457 N ASP A 97 0.767 -6.530 -13.166 1.00 34.42 N ATOM 1458 CA ASP A 97 0.934 -7.472 -14.267 1.00 25.41 C ATOM 1459 C ASP A 97 0.238 -8.801 -13.975 1.00 65.22 C ATOM 1460 O ASP A 97 -0.143 -9.533 -14.888 1.00 33.20 O ATOM 1461 CB ASP A 97 2.416 -7.669 -14.619 1.00 42.41 C ATOM 1462 CG ASP A 97 2.622 -8.549 -15.839 1.00 22.51 C ATOM 1463 OD1 ASP A 97 2.343 -8.085 -16.981 1.00 23.22 O ATOM 1464 OD2 ASP A 97 3.092 -9.696 -15.690 1.00 12.42 O ATOM 0 H ASP A 97 1.593 -6.395 -12.583 1.00 34.42 H new ATOM 0 HA ASP A 97 0.451 -7.041 -15.144 1.00 25.41 H new ATOM 0 HB2 ASP A 97 2.874 -6.696 -14.798 1.00 42.41 H new ATOM 0 HB3 ASP A 97 2.931 -8.112 -13.767 1.00 42.41 H new ATOM 1469 N ASN A 98 0.033 -9.086 -12.705 1.00 54.42 N ATOM 1470 CA ASN A 98 -0.647 -10.320 -12.295 1.00 13.25 C ATOM 1471 C ASN A 98 -2.115 -10.059 -12.009 1.00 11.40 C ATOM 1472 O ASN A 98 -2.905 -11.003 -11.850 1.00 61.05 O ATOM 1473 CB ASN A 98 -0.003 -10.906 -11.030 1.00 62.34 C ATOM 1474 CG ASN A 98 1.391 -11.478 -11.220 1.00 32.24 C ATOM 1475 OD1 ASN A 98 2.152 -11.055 -12.090 1.00 13.24 O ATOM 1476 ND2 ASN A 98 1.743 -12.419 -10.382 1.00 60.31 N ATOM 0 H ASN A 98 0.323 -8.487 -11.932 1.00 54.42 H new ATOM 0 HA ASN A 98 -0.552 -11.029 -13.118 1.00 13.25 H new ATOM 0 HB2 ASN A 98 0.042 -10.126 -10.270 1.00 62.34 H new ATOM 0 HB3 ASN A 98 -0.651 -11.692 -10.642 1.00 62.34 H new ATOM 0 HD21 ASN A 98 2.676 -12.828 -10.437 1.00 60.31 H new ATOM 0 HD22 ASN A 98 1.085 -12.744 -9.674 1.00 60.31 H new ATOM 1483 N SER A 99 -2.470 -8.777 -11.952 1.00 62.53 N ATOM 1484 CA SER A 99 -3.823 -8.305 -11.658 1.00 12.21 C ATOM 1485 C SER A 99 -4.329 -8.789 -10.270 1.00 65.51 C ATOM 1486 O SER A 99 -5.524 -8.741 -9.986 1.00 61.04 O ATOM 1487 CB SER A 99 -4.775 -8.724 -12.778 1.00 32.30 C ATOM 1488 OG SER A 99 -4.331 -8.208 -14.039 1.00 73.45 O ATOM 0 H SER A 99 -1.808 -8.018 -12.113 1.00 62.53 H new ATOM 0 HA SER A 99 -3.795 -7.216 -11.609 1.00 12.21 H new ATOM 0 HB2 SER A 99 -4.834 -9.811 -12.825 1.00 32.30 H new ATOM 0 HB3 SER A 99 -5.780 -8.360 -12.564 1.00 32.30 H new ATOM 0 HG SER A 99 -4.952 -8.488 -14.744 1.00 73.45 H new ATOM 1494 N GLU A 100 -3.405 -9.185 -9.395 1.00 41.52 N ATOM 1495 CA GLU A 100 -3.766 -9.719 -8.098 1.00 61.14 C ATOM 1496 C GLU A 100 -3.495 -8.689 -7.022 1.00 3.02 C ATOM 1497 O GLU A 100 -2.730 -7.767 -7.225 1.00 2.25 O ATOM 1498 CB GLU A 100 -2.985 -11.003 -7.796 1.00 51.41 C ATOM 1499 CG GLU A 100 -1.492 -10.787 -7.650 1.00 75.30 C ATOM 1500 CD GLU A 100 -0.709 -12.061 -7.367 1.00 55.01 C ATOM 1501 OE1 GLU A 100 -0.665 -12.481 -6.203 1.00 1.41 O ATOM 1502 OE2 GLU A 100 -0.116 -12.647 -8.312 1.00 23.31 O ATOM 0 H GLU A 100 -2.401 -9.143 -9.569 1.00 41.52 H new ATOM 0 HA GLU A 100 -4.829 -9.959 -8.112 1.00 61.14 H new ATOM 0 HB2 GLU A 100 -3.371 -11.445 -6.877 1.00 51.41 H new ATOM 0 HB3 GLU A 100 -3.163 -11.723 -8.595 1.00 51.41 H new ATOM 0 HG2 GLU A 100 -1.110 -10.333 -8.564 1.00 75.30 H new ATOM 0 HG3 GLU A 100 -1.315 -10.076 -6.843 1.00 75.30 H new ATOM 1509 N LYS A 101 -4.104 -8.858 -5.898 1.00 54.23 N ATOM 1510 CA LYS A 101 -3.936 -7.921 -4.801 1.00 73.21 C ATOM 1511 C LYS A 101 -2.944 -8.507 -3.810 1.00 10.12 C ATOM 1512 O LYS A 101 -2.936 -9.725 -3.588 1.00 23.45 O ATOM 1513 CB LYS A 101 -5.265 -7.646 -4.095 1.00 42.20 C ATOM 1514 CG LYS A 101 -6.411 -7.257 -5.023 1.00 43.21 C ATOM 1515 CD LYS A 101 -7.672 -6.888 -4.249 1.00 52.11 C ATOM 1516 CE LYS A 101 -8.170 -8.032 -3.376 1.00 33.32 C ATOM 1517 NZ LYS A 101 -9.414 -7.682 -2.649 1.00 45.21 N ATOM 0 H LYS A 101 -4.731 -9.637 -5.698 1.00 54.23 H new ATOM 0 HA LYS A 101 -3.568 -6.976 -5.199 1.00 73.21 H new ATOM 0 HB2 LYS A 101 -5.555 -8.536 -3.536 1.00 42.20 H new ATOM 0 HB3 LYS A 101 -5.116 -6.847 -3.369 1.00 42.20 H new ATOM 0 HG2 LYS A 101 -6.106 -6.414 -5.642 1.00 43.21 H new ATOM 0 HG3 LYS A 101 -6.629 -8.085 -5.697 1.00 43.21 H new ATOM 0 HD2 LYS A 101 -7.470 -6.018 -3.624 1.00 52.11 H new ATOM 0 HD3 LYS A 101 -8.456 -6.602 -4.951 1.00 52.11 H new ATOM 0 HE2 LYS A 101 -8.349 -8.909 -3.997 1.00 33.32 H new ATOM 0 HE3 LYS A 101 -7.396 -8.302 -2.658 1.00 33.32 H new ATOM 0 HZ1 LYS A 101 -9.716 -8.490 -2.068 1.00 45.21 H new ATOM 0 HZ2 LYS A 101 -9.238 -6.861 -2.035 1.00 45.21 H new ATOM 0 HZ3 LYS A 101 -10.162 -7.449 -3.333 1.00 45.21 H new ATOM 1531 N VAL A 102 -2.123 -7.675 -3.226 1.00 44.34 N ATOM 1532 CA VAL A 102 -1.088 -8.119 -2.318 1.00 3.14 C ATOM 1533 C VAL A 102 -0.932 -7.109 -1.207 1.00 21.12 C ATOM 1534 O VAL A 102 -1.371 -5.961 -1.338 1.00 4.13 O ATOM 1535 CB VAL A 102 0.292 -8.315 -3.029 1.00 14.44 C ATOM 1536 CG1 VAL A 102 0.245 -9.429 -4.063 1.00 42.20 C ATOM 1537 CG2 VAL A 102 0.749 -7.026 -3.676 1.00 51.33 C ATOM 0 H VAL A 102 -2.150 -6.665 -3.365 1.00 44.34 H new ATOM 0 HA VAL A 102 -1.395 -9.088 -1.924 1.00 3.14 H new ATOM 0 HB VAL A 102 1.010 -8.603 -2.261 1.00 14.44 H new ATOM 0 HG11 VAL A 102 1.223 -9.531 -4.532 1.00 42.20 H new ATOM 0 HG12 VAL A 102 -0.024 -10.366 -3.576 1.00 42.20 H new ATOM 0 HG13 VAL A 102 -0.499 -9.189 -4.823 1.00 42.20 H new ATOM 0 HG21 VAL A 102 1.710 -7.185 -4.164 1.00 51.33 H new ATOM 0 HG22 VAL A 102 0.014 -6.710 -4.416 1.00 51.33 H new ATOM 0 HG23 VAL A 102 0.852 -6.253 -2.914 1.00 51.33 H new ATOM 1547 N LYS A 103 -0.319 -7.509 -0.141 1.00 2.14 N ATOM 1548 CA LYS A 103 -0.134 -6.644 0.969 1.00 32.44 C ATOM 1549 C LYS A 103 1.342 -6.314 1.068 1.00 3.42 C ATOM 1550 O LYS A 103 2.182 -7.213 1.162 1.00 11.33 O ATOM 1551 CB LYS A 103 -0.580 -7.334 2.231 1.00 60.11 C ATOM 1552 CG LYS A 103 -0.782 -6.394 3.375 1.00 74.44 C ATOM 1553 CD LYS A 103 -2.049 -5.598 3.219 1.00 54.21 C ATOM 1554 CE LYS A 103 -3.279 -6.493 3.387 1.00 2.33 C ATOM 1555 NZ LYS A 103 -3.307 -7.181 4.703 1.00 33.30 N ATOM 0 H LYS A 103 0.066 -8.446 -0.019 1.00 2.14 H new ATOM 0 HA LYS A 103 -0.720 -5.734 0.839 1.00 32.44 H new ATOM 0 HB2 LYS A 103 -1.512 -7.866 2.037 1.00 60.11 H new ATOM 0 HB3 LYS A 103 0.162 -8.082 2.510 1.00 60.11 H new ATOM 0 HG2 LYS A 103 -0.818 -6.957 4.308 1.00 74.44 H new ATOM 0 HG3 LYS A 103 0.069 -5.716 3.444 1.00 74.44 H new ATOM 0 HD2 LYS A 103 -2.073 -4.797 3.958 1.00 54.21 H new ATOM 0 HD3 LYS A 103 -2.069 -5.126 2.236 1.00 54.21 H new ATOM 0 HE2 LYS A 103 -4.181 -5.890 3.277 1.00 2.33 H new ATOM 0 HE3 LYS A 103 -3.294 -7.238 2.591 1.00 2.33 H new ATOM 0 HZ1 LYS A 103 -4.262 -7.115 5.109 1.00 33.30 H new ATOM 0 HZ2 LYS A 103 -3.053 -8.182 4.577 1.00 33.30 H new ATOM 0 HZ3 LYS A 103 -2.625 -6.729 5.346 1.00 33.30 H new ATOM 1569 N VAL A 104 1.663 -5.055 1.051 1.00 60.12 N ATOM 1570 CA VAL A 104 3.041 -4.633 1.029 1.00 15.25 C ATOM 1571 C VAL A 104 3.292 -3.573 2.090 1.00 5.44 C ATOM 1572 O VAL A 104 2.367 -3.119 2.757 1.00 42.31 O ATOM 1573 CB VAL A 104 3.413 -4.056 -0.367 1.00 73.42 C ATOM 1574 CG1 VAL A 104 3.147 -5.068 -1.468 1.00 71.12 C ATOM 1575 CG2 VAL A 104 2.643 -2.785 -0.639 1.00 22.35 C ATOM 0 H VAL A 104 0.986 -4.292 1.052 1.00 60.12 H new ATOM 0 HA VAL A 104 3.662 -5.505 1.236 1.00 15.25 H new ATOM 0 HB VAL A 104 4.479 -3.830 -0.358 1.00 73.42 H new ATOM 0 HG11 VAL A 104 3.417 -4.636 -2.432 1.00 71.12 H new ATOM 0 HG12 VAL A 104 3.744 -5.963 -1.292 1.00 71.12 H new ATOM 0 HG13 VAL A 104 2.089 -5.332 -1.472 1.00 71.12 H new ATOM 0 HG21 VAL A 104 2.917 -2.397 -1.620 1.00 22.35 H new ATOM 0 HG22 VAL A 104 1.574 -2.996 -0.618 1.00 22.35 H new ATOM 0 HG23 VAL A 104 2.882 -2.044 0.124 1.00 22.35 H new ATOM 1585 N GLU A 105 4.525 -3.194 2.245 1.00 51.21 N ATOM 1586 CA GLU A 105 4.897 -2.150 3.155 1.00 23.40 C ATOM 1587 C GLU A 105 5.387 -0.957 2.365 1.00 74.33 C ATOM 1588 O GLU A 105 5.961 -1.117 1.285 1.00 74.32 O ATOM 1589 CB GLU A 105 5.973 -2.634 4.122 1.00 5.03 C ATOM 1590 CG GLU A 105 5.529 -3.802 4.980 1.00 51.03 C ATOM 1591 CD GLU A 105 6.579 -4.244 5.955 1.00 21.11 C ATOM 1592 OE1 GLU A 105 6.706 -3.615 7.029 1.00 13.02 O ATOM 1593 OE2 GLU A 105 7.266 -5.243 5.688 1.00 24.14 O ATOM 0 H GLU A 105 5.310 -3.604 1.739 1.00 51.21 H new ATOM 0 HA GLU A 105 4.028 -1.860 3.745 1.00 23.40 H new ATOM 0 HB2 GLU A 105 6.857 -2.925 3.555 1.00 5.03 H new ATOM 0 HB3 GLU A 105 6.267 -1.808 4.770 1.00 5.03 H new ATOM 0 HG2 GLU A 105 4.628 -3.523 5.526 1.00 51.03 H new ATOM 0 HG3 GLU A 105 5.264 -4.640 4.335 1.00 51.03 H new ATOM 1600 N THR A 106 5.146 0.214 2.863 1.00 75.42 N ATOM 1601 CA THR A 106 5.554 1.416 2.200 1.00 22.22 C ATOM 1602 C THR A 106 5.841 2.466 3.261 1.00 50.41 C ATOM 1603 O THR A 106 5.600 2.226 4.451 1.00 41.43 O ATOM 1604 CB THR A 106 4.445 1.919 1.236 1.00 3.32 C ATOM 1605 OG1 THR A 106 4.928 3.018 0.450 1.00 30.31 O ATOM 1606 CG2 THR A 106 3.224 2.365 2.027 1.00 24.31 C ATOM 0 H THR A 106 4.658 0.366 3.746 1.00 75.42 H new ATOM 0 HA THR A 106 6.446 1.223 1.605 1.00 22.22 H new ATOM 0 HB THR A 106 4.168 1.098 0.574 1.00 3.32 H new ATOM 0 HG1 THR A 106 5.505 2.679 -0.266 1.00 30.31 H new ATOM 0 HG21 THR A 106 2.454 2.715 1.340 1.00 24.31 H new ATOM 0 HG22 THR A 106 2.839 1.526 2.606 1.00 24.31 H new ATOM 0 HG23 THR A 106 3.503 3.174 2.702 1.00 24.31 H new ATOM 1614 N TYR A 107 6.343 3.600 2.858 1.00 54.23 N ATOM 1615 CA TYR A 107 6.667 4.636 3.787 1.00 13.23 C ATOM 1616 C TYR A 107 5.764 5.834 3.583 1.00 54.22 C ATOM 1617 O TYR A 107 5.737 6.448 2.515 1.00 32.01 O ATOM 1618 CB TYR A 107 8.150 5.003 3.716 1.00 22.12 C ATOM 1619 CG TYR A 107 9.055 3.847 4.075 1.00 30.21 C ATOM 1620 CD1 TYR A 107 9.430 2.902 3.124 1.00 0.33 C ATOM 1621 CD2 TYR A 107 9.508 3.685 5.372 1.00 12.11 C ATOM 1622 CE1 TYR A 107 10.224 1.834 3.464 1.00 62.43 C ATOM 1623 CE2 TYR A 107 10.312 2.622 5.715 1.00 64.53 C ATOM 1624 CZ TYR A 107 10.662 1.699 4.759 1.00 5.40 C ATOM 1625 OH TYR A 107 11.433 0.627 5.101 1.00 23.32 O ATOM 0 H TYR A 107 6.536 3.827 1.883 1.00 54.23 H new ATOM 0 HA TYR A 107 6.489 4.264 4.796 1.00 13.23 H new ATOM 0 HB2 TYR A 107 8.387 5.346 2.709 1.00 22.12 H new ATOM 0 HB3 TYR A 107 8.347 5.836 4.391 1.00 22.12 H new ATOM 0 HD1 TYR A 107 9.092 3.010 2.104 1.00 0.33 H new ATOM 0 HD2 TYR A 107 9.226 4.404 6.127 1.00 12.11 H new ATOM 0 HE1 TYR A 107 10.502 1.105 2.718 1.00 62.43 H new ATOM 0 HE2 TYR A 107 10.666 2.514 6.730 1.00 64.53 H new ATOM 0 HH TYR A 107 11.200 -0.138 4.534 1.00 23.32 H new ATOM 1635 N VAL A 108 5.037 6.155 4.612 1.00 51.41 N ATOM 1636 CA VAL A 108 4.059 7.202 4.579 1.00 52.01 C ATOM 1637 C VAL A 108 4.490 8.341 5.504 1.00 44.44 C ATOM 1638 O VAL A 108 5.092 8.111 6.549 1.00 35.30 O ATOM 1639 CB VAL A 108 2.663 6.652 5.006 1.00 64.23 C ATOM 1640 CG1 VAL A 108 2.677 6.155 6.432 1.00 21.21 C ATOM 1641 CG2 VAL A 108 1.558 7.664 4.795 1.00 70.31 C ATOM 0 H VAL A 108 5.109 5.687 5.516 1.00 51.41 H new ATOM 0 HA VAL A 108 3.981 7.584 3.561 1.00 52.01 H new ATOM 0 HB VAL A 108 2.450 5.804 4.355 1.00 64.23 H new ATOM 0 HG11 VAL A 108 1.689 5.779 6.696 1.00 21.21 H new ATOM 0 HG12 VAL A 108 3.409 5.353 6.531 1.00 21.21 H new ATOM 0 HG13 VAL A 108 2.944 6.974 7.100 1.00 21.21 H new ATOM 0 HG21 VAL A 108 0.606 7.234 5.107 1.00 70.31 H new ATOM 0 HG22 VAL A 108 1.764 8.556 5.386 1.00 70.31 H new ATOM 0 HG23 VAL A 108 1.507 7.932 3.740 1.00 70.31 H new ATOM 1651 N TRP A 109 4.210 9.539 5.100 1.00 20.51 N ATOM 1652 CA TRP A 109 4.540 10.728 5.859 1.00 75.41 C ATOM 1653 C TRP A 109 3.630 10.778 7.124 1.00 72.41 C ATOM 1654 O TRP A 109 2.420 10.641 7.019 1.00 22.10 O ATOM 1655 CB TRP A 109 4.315 11.928 4.913 1.00 15.31 C ATOM 1656 CG TRP A 109 4.814 13.252 5.374 1.00 33.24 C ATOM 1657 CD1 TRP A 109 4.079 14.346 5.684 1.00 35.22 C ATOM 1658 CD2 TRP A 109 6.171 13.616 5.552 1.00 43.25 C ATOM 1659 NE1 TRP A 109 4.910 15.376 6.049 1.00 21.44 N ATOM 1660 CE2 TRP A 109 6.201 14.947 5.983 1.00 33.51 C ATOM 1661 CE3 TRP A 109 7.356 12.937 5.393 1.00 55.12 C ATOM 1662 CZ2 TRP A 109 7.391 15.614 6.257 1.00 51.40 C ATOM 1663 CZ3 TRP A 109 8.531 13.570 5.660 1.00 73.13 C ATOM 1664 CH2 TRP A 109 8.552 14.904 6.094 1.00 71.51 C ATOM 0 H TRP A 109 3.737 9.734 4.218 1.00 20.51 H new ATOM 0 HA TRP A 109 5.572 10.741 6.209 1.00 75.41 H new ATOM 0 HB2 TRP A 109 4.789 11.701 3.958 1.00 15.31 H new ATOM 0 HB3 TRP A 109 3.245 12.016 4.725 1.00 15.31 H new ATOM 0 HD1 TRP A 109 3.001 14.400 5.649 1.00 35.22 H new ATOM 0 HE1 TRP A 109 4.609 16.311 6.325 1.00 21.44 H new ATOM 0 HE3 TRP A 109 7.354 11.910 5.059 1.00 55.12 H new ATOM 0 HZ2 TRP A 109 7.399 16.644 6.583 1.00 51.40 H new ATOM 0 HZ3 TRP A 109 9.462 13.037 5.536 1.00 73.13 H new ATOM 0 HH2 TRP A 109 9.499 15.379 6.303 1.00 71.51 H new ATOM 1675 N VAL A 110 4.229 10.936 8.314 1.00 72.14 N ATOM 1676 CA VAL A 110 3.482 10.929 9.584 1.00 52.31 C ATOM 1677 C VAL A 110 2.644 12.194 9.779 1.00 11.53 C ATOM 1678 O VAL A 110 1.701 12.221 10.551 1.00 52.13 O ATOM 1679 CB VAL A 110 4.398 10.693 10.810 1.00 44.13 C ATOM 1680 CG1 VAL A 110 5.124 9.371 10.699 1.00 53.31 C ATOM 1681 CG2 VAL A 110 5.385 11.818 11.009 1.00 43.50 C ATOM 0 H VAL A 110 5.234 11.071 8.425 1.00 72.14 H new ATOM 0 HA VAL A 110 2.797 10.084 9.513 1.00 52.31 H new ATOM 0 HB VAL A 110 3.750 10.665 11.686 1.00 44.13 H new ATOM 0 HG11 VAL A 110 5.760 9.231 11.573 1.00 53.31 H new ATOM 0 HG12 VAL A 110 4.397 8.560 10.645 1.00 53.31 H new ATOM 0 HG13 VAL A 110 5.738 9.368 9.799 1.00 53.31 H new ATOM 0 HG21 VAL A 110 6.005 11.608 11.880 1.00 43.50 H new ATOM 0 HG22 VAL A 110 6.018 11.907 10.126 1.00 43.50 H new ATOM 0 HG23 VAL A 110 4.845 12.752 11.165 1.00 43.50 H new ATOM 1691 N ASN A 111 3.006 13.212 9.057 1.00 71.05 N ATOM 1692 CA ASN A 111 2.362 14.526 9.068 1.00 12.10 C ATOM 1693 C ASN A 111 1.184 14.526 8.066 1.00 71.31 C ATOM 1694 O ASN A 111 0.662 15.557 7.702 1.00 62.44 O ATOM 1695 CB ASN A 111 3.413 15.592 8.733 1.00 61.32 C ATOM 1696 CG ASN A 111 2.941 17.050 8.726 1.00 1.42 C ATOM 1697 OD1 ASN A 111 3.461 17.855 7.955 1.00 54.43 O ATOM 1698 ND2 ASN A 111 2.016 17.410 9.584 1.00 22.41 N ATOM 0 H ASN A 111 3.792 13.165 8.409 1.00 71.05 H new ATOM 0 HA ASN A 111 1.953 14.755 10.052 1.00 12.10 H new ATOM 0 HB2 ASN A 111 4.228 15.502 9.451 1.00 61.32 H new ATOM 0 HB3 ASN A 111 3.827 15.364 7.751 1.00 61.32 H new ATOM 0 HD21 ASN A 111 1.709 18.382 9.625 1.00 22.41 H new ATOM 0 HD22 ASN A 111 1.604 16.718 10.210 1.00 22.41 H new ATOM 1705 N LYS A 112 0.780 13.312 7.658 1.00 2.51 N ATOM 1706 CA LYS A 112 -0.252 13.037 6.677 1.00 50.10 C ATOM 1707 C LYS A 112 -1.555 13.822 6.908 1.00 51.15 C ATOM 1708 O LYS A 112 -2.319 14.055 5.964 1.00 62.41 O ATOM 1709 CB LYS A 112 -0.474 11.496 6.694 1.00 65.33 C ATOM 1710 CG LYS A 112 -1.594 10.925 5.840 1.00 54.41 C ATOM 1711 CD LYS A 112 -2.953 10.917 6.554 1.00 52.42 C ATOM 1712 CE LYS A 112 -2.953 9.937 7.732 1.00 61.25 C ATOM 1713 NZ LYS A 112 -4.229 9.950 8.477 1.00 72.43 N ATOM 0 H LYS A 112 1.195 12.458 8.031 1.00 2.51 H new ATOM 0 HA LYS A 112 0.074 13.377 5.694 1.00 50.10 H new ATOM 0 HB2 LYS A 112 0.457 11.022 6.384 1.00 65.33 H new ATOM 0 HB3 LYS A 112 -0.656 11.197 7.726 1.00 65.33 H new ATOM 0 HG2 LYS A 112 -1.676 11.508 4.922 1.00 54.41 H new ATOM 0 HG3 LYS A 112 -1.337 9.906 5.549 1.00 54.41 H new ATOM 0 HD2 LYS A 112 -3.185 11.920 6.912 1.00 52.42 H new ATOM 0 HD3 LYS A 112 -3.736 10.641 5.848 1.00 52.42 H new ATOM 0 HE2 LYS A 112 -2.762 8.930 7.363 1.00 61.25 H new ATOM 0 HE3 LYS A 112 -2.137 10.188 8.410 1.00 61.25 H new ATOM 0 HZ1 LYS A 112 -4.417 9.002 8.860 1.00 72.43 H new ATOM 0 HZ2 LYS A 112 -4.168 10.633 9.259 1.00 72.43 H new ATOM 0 HZ3 LYS A 112 -5.002 10.225 7.837 1.00 72.43 H new ATOM 1727 N ASP A 113 -1.798 14.258 8.112 1.00 24.33 N ATOM 1728 CA ASP A 113 -2.991 15.042 8.361 1.00 3.04 C ATOM 1729 C ASP A 113 -2.662 16.513 8.453 1.00 73.32 C ATOM 1730 O ASP A 113 -2.688 17.117 9.537 1.00 61.53 O ATOM 1731 CB ASP A 113 -3.812 14.564 9.571 1.00 51.33 C ATOM 1732 CG ASP A 113 -4.361 13.172 9.387 1.00 41.32 C ATOM 1733 OD1 ASP A 113 -5.384 13.010 8.705 1.00 45.34 O ATOM 1734 OD2 ASP A 113 -3.775 12.215 9.918 1.00 22.31 O ATOM 0 H ASP A 113 -1.205 14.093 8.925 1.00 24.33 H new ATOM 0 HA ASP A 113 -3.639 14.886 7.498 1.00 3.04 H new ATOM 0 HB2 ASP A 113 -3.186 14.588 10.463 1.00 51.33 H new ATOM 0 HB3 ASP A 113 -4.637 15.256 9.742 1.00 51.33 H new ATOM 1739 N ASP A 114 -2.280 17.064 7.323 1.00 71.21 N ATOM 1740 CA ASP A 114 -1.935 18.468 7.202 1.00 31.51 C ATOM 1741 C ASP A 114 -2.726 19.058 6.038 1.00 41.54 C ATOM 1742 O ASP A 114 -2.984 18.342 5.047 1.00 0.11 O ATOM 1743 CB ASP A 114 -0.421 18.622 6.947 1.00 24.40 C ATOM 1744 CG ASP A 114 0.049 20.069 6.926 1.00 14.20 C ATOM 1745 OD1 ASP A 114 -0.048 20.732 5.877 1.00 65.21 O ATOM 1746 OD2 ASP A 114 0.529 20.565 7.978 1.00 74.14 O ATOM 0 H ASP A 114 -2.198 16.545 6.449 1.00 71.21 H new ATOM 0 HA ASP A 114 -2.181 18.994 8.125 1.00 31.51 H new ATOM 0 HB2 ASP A 114 0.126 18.082 7.720 1.00 24.40 H new ATOM 0 HB3 ASP A 114 -0.172 18.154 5.995 1.00 24.40 H new ATOM 1751 N PRO A 115 -3.167 20.332 6.138 1.00 3.32 N ATOM 1752 CA PRO A 115 -3.905 21.013 5.062 1.00 53.44 C ATOM 1753 C PRO A 115 -3.163 21.020 3.713 1.00 40.24 C ATOM 1754 O PRO A 115 -3.797 20.960 2.654 1.00 34.51 O ATOM 1755 CB PRO A 115 -4.054 22.447 5.577 1.00 40.02 C ATOM 1756 CG PRO A 115 -3.981 22.324 7.050 1.00 20.44 C ATOM 1757 CD PRO A 115 -3.024 21.204 7.323 1.00 52.22 C ATOM 0 HA PRO A 115 -4.847 20.504 4.859 1.00 53.44 H new ATOM 0 HB2 PRO A 115 -3.262 23.090 5.193 1.00 40.02 H new ATOM 0 HB3 PRO A 115 -5.001 22.885 5.262 1.00 40.02 H new ATOM 0 HG2 PRO A 115 -3.634 23.253 7.503 1.00 20.44 H new ATOM 0 HG3 PRO A 115 -4.963 22.111 7.473 1.00 20.44 H new ATOM 0 HD2 PRO A 115 -2.002 21.567 7.433 1.00 52.22 H new ATOM 0 HD3 PRO A 115 -3.276 20.676 8.243 1.00 52.22 H new ATOM 1765 N ARG A 116 -1.840 21.084 3.736 1.00 24.33 N ATOM 1766 CA ARG A 116 -1.097 21.127 2.497 1.00 22.43 C ATOM 1767 C ARG A 116 0.099 20.162 2.448 1.00 24.03 C ATOM 1768 O ARG A 116 1.059 20.293 3.177 1.00 54.31 O ATOM 1769 CB ARG A 116 -0.778 22.597 2.041 1.00 24.43 C ATOM 1770 CG ARG A 116 -0.160 23.551 3.091 1.00 42.22 C ATOM 1771 CD ARG A 116 1.213 23.118 3.542 1.00 55.40 C ATOM 1772 NE ARG A 116 1.812 24.024 4.517 1.00 43.45 N ATOM 1773 CZ ARG A 116 2.382 23.627 5.657 1.00 12.01 C ATOM 1774 NH1 ARG A 116 2.188 22.393 6.102 1.00 4.13 N ATOM 1775 NH2 ARG A 116 3.082 24.484 6.385 1.00 64.13 N ATOM 0 H ARG A 116 -1.273 21.107 4.584 1.00 24.33 H new ATOM 0 HA ARG A 116 -1.764 20.730 1.732 1.00 22.43 H new ATOM 0 HB2 ARG A 116 -0.098 22.546 1.191 1.00 24.43 H new ATOM 0 HB3 ARG A 116 -1.704 23.046 1.681 1.00 24.43 H new ATOM 0 HG2 ARG A 116 -0.099 24.555 2.671 1.00 42.22 H new ATOM 0 HG3 ARG A 116 -0.820 23.607 3.956 1.00 42.22 H new ATOM 0 HD2 ARG A 116 1.148 22.120 3.976 1.00 55.40 H new ATOM 0 HD3 ARG A 116 1.867 23.046 2.673 1.00 55.40 H new ATOM 0 HE ARG A 116 1.794 25.024 4.315 1.00 43.45 H new ATOM 0 HH11 ARG A 116 1.603 21.746 5.573 1.00 4.13 H new ATOM 0 HH12 ARG A 116 2.624 22.091 6.973 1.00 4.13 H new ATOM 0 HH21 ARG A 116 3.187 25.450 6.075 1.00 64.13 H new ATOM 0 HH22 ARG A 116 3.516 24.178 7.256 1.00 64.13 H new ATOM 1789 N MET A 117 0.012 19.189 1.575 1.00 71.21 N ATOM 1790 CA MET A 117 1.082 18.188 1.414 1.00 50.41 C ATOM 1791 C MET A 117 1.638 18.240 0.027 1.00 10.31 C ATOM 1792 O MET A 117 2.689 17.662 -0.261 1.00 54.12 O ATOM 1793 CB MET A 117 0.581 16.786 1.751 1.00 32.11 C ATOM 1794 CG MET A 117 0.125 16.553 3.209 1.00 35.30 C ATOM 1795 SD MET A 117 1.458 16.237 4.423 1.00 3.04 S ATOM 1796 CE MET A 117 2.416 17.751 4.443 1.00 52.42 C ATOM 0 H MET A 117 -0.786 19.054 0.954 1.00 71.21 H new ATOM 0 HA MET A 117 1.882 18.428 2.115 1.00 50.41 H new ATOM 0 HB2 MET A 117 -0.254 16.553 1.090 1.00 32.11 H new ATOM 0 HB3 MET A 117 1.375 16.075 1.523 1.00 32.11 H new ATOM 0 HG2 MET A 117 -0.439 17.426 3.537 1.00 35.30 H new ATOM 0 HG3 MET A 117 -0.561 15.706 3.224 1.00 35.30 H new ATOM 0 HE1 MET A 117 3.091 17.743 5.299 1.00 52.42 H new ATOM 0 HE2 MET A 117 2.997 17.826 3.524 1.00 52.42 H new ATOM 0 HE3 MET A 117 1.744 18.606 4.518 1.00 52.42 H new ATOM 1920 N GLU A 125 6.530 20.967 -14.805 1.00 74.11 N ATOM 1921 CA GLU A 125 7.605 20.392 -14.013 1.00 44.24 C ATOM 1922 C GLU A 125 7.168 19.002 -13.532 1.00 2.24 C ATOM 1923 O GLU A 125 7.965 18.079 -13.433 1.00 4.25 O ATOM 1924 CB GLU A 125 7.872 21.326 -12.822 1.00 34.45 C ATOM 1925 CG GLU A 125 8.982 20.920 -11.877 1.00 54.53 C ATOM 1926 CD GLU A 125 10.333 20.877 -12.529 1.00 32.13 C ATOM 1927 OE1 GLU A 125 10.901 21.950 -12.813 1.00 21.55 O ATOM 1928 OE2 GLU A 125 10.868 19.782 -12.720 1.00 12.52 O ATOM 0 HA GLU A 125 8.519 20.287 -14.597 1.00 44.24 H new ATOM 0 HB2 GLU A 125 8.102 22.318 -13.212 1.00 34.45 H new ATOM 0 HB3 GLU A 125 6.951 21.416 -12.246 1.00 34.45 H new ATOM 0 HG2 GLU A 125 9.012 21.619 -11.042 1.00 54.53 H new ATOM 0 HG3 GLU A 125 8.755 19.938 -11.462 1.00 54.53 H new ATOM 1935 N TRP A 126 5.887 18.873 -13.265 1.00 73.41 N ATOM 1936 CA TRP A 126 5.310 17.625 -12.814 1.00 41.34 C ATOM 1937 C TRP A 126 4.926 16.766 -14.031 1.00 52.40 C ATOM 1938 O TRP A 126 4.839 15.536 -13.951 1.00 24.30 O ATOM 1939 CB TRP A 126 4.068 17.925 -11.953 1.00 31.22 C ATOM 1940 CG TRP A 126 3.478 16.726 -11.266 1.00 74.31 C ATOM 1941 CD1 TRP A 126 2.527 15.874 -11.753 1.00 1.24 C ATOM 1942 CD2 TRP A 126 3.801 16.257 -9.957 1.00 22.22 C ATOM 1943 NE1 TRP A 126 2.248 14.906 -10.828 1.00 20.51 N ATOM 1944 CE2 TRP A 126 3.014 15.117 -9.715 1.00 41.22 C ATOM 1945 CE3 TRP A 126 4.682 16.691 -8.963 1.00 64.01 C ATOM 1946 CZ2 TRP A 126 3.081 14.406 -8.526 1.00 14.35 C ATOM 1947 CZ3 TRP A 126 4.749 15.982 -7.782 1.00 30.23 C ATOM 1948 CH2 TRP A 126 3.952 14.852 -7.574 1.00 21.33 C ATOM 0 H TRP A 126 5.213 19.634 -13.355 1.00 73.41 H new ATOM 0 HA TRP A 126 6.035 17.075 -12.214 1.00 41.34 H new ATOM 0 HB2 TRP A 126 4.335 18.665 -11.198 1.00 31.22 H new ATOM 0 HB3 TRP A 126 3.304 18.377 -12.586 1.00 31.22 H new ATOM 0 HD1 TRP A 126 2.064 15.953 -12.725 1.00 1.24 H new ATOM 0 HE1 TRP A 126 1.576 14.148 -10.949 1.00 20.51 H new ATOM 0 HE3 TRP A 126 5.298 17.564 -9.117 1.00 64.01 H new ATOM 0 HZ2 TRP A 126 2.468 13.533 -8.360 1.00 14.35 H new ATOM 0 HZ3 TRP A 126 5.427 16.304 -7.006 1.00 30.23 H new ATOM 0 HH2 TRP A 126 4.027 14.319 -6.638 1.00 21.33 H new ATOM 1959 N ARG A 127 4.710 17.428 -15.154 1.00 62.24 N ATOM 1960 CA ARG A 127 4.303 16.781 -16.392 1.00 23.00 C ATOM 1961 C ARG A 127 5.338 15.763 -16.820 1.00 61.25 C ATOM 1962 O ARG A 127 4.997 14.629 -17.123 1.00 10.11 O ATOM 1963 CB ARG A 127 4.073 17.825 -17.499 1.00 43.11 C ATOM 1964 CG ARG A 127 3.503 17.269 -18.799 1.00 12.13 C ATOM 1965 CD ARG A 127 3.313 18.374 -19.836 1.00 41.54 C ATOM 1966 NE ARG A 127 4.591 18.985 -20.247 1.00 0.21 N ATOM 1967 CZ ARG A 127 4.734 20.245 -20.707 1.00 3.43 C ATOM 1968 NH1 ARG A 127 3.695 21.070 -20.738 1.00 24.23 N ATOM 1969 NH2 ARG A 127 5.927 20.673 -21.119 1.00 62.13 N ATOM 0 H ARG A 127 4.813 18.440 -15.234 1.00 62.24 H new ATOM 0 HA ARG A 127 3.362 16.260 -16.217 1.00 23.00 H new ATOM 0 HB2 ARG A 127 3.396 18.591 -17.121 1.00 43.11 H new ATOM 0 HB3 ARG A 127 5.021 18.317 -17.716 1.00 43.11 H new ATOM 0 HG2 ARG A 127 4.172 16.506 -19.196 1.00 12.13 H new ATOM 0 HG3 ARG A 127 2.547 16.783 -18.602 1.00 12.13 H new ATOM 0 HD2 ARG A 127 2.811 17.964 -20.712 1.00 41.54 H new ATOM 0 HD3 ARG A 127 2.660 19.145 -19.426 1.00 41.54 H new ATOM 0 HE ARG A 127 5.431 18.411 -20.178 1.00 0.21 H new ATOM 0 HH11 ARG A 127 2.782 20.753 -20.413 1.00 24.23 H new ATOM 0 HH12 ARG A 127 3.810 22.022 -21.087 1.00 24.23 H new ATOM 0 HH21 ARG A 127 6.732 20.048 -21.087 1.00 62.13 H new ATOM 0 HH22 ARG A 127 6.035 21.626 -21.467 1.00 62.13 H new ATOM 1983 N VAL A 128 6.605 16.153 -16.767 1.00 62.44 N ATOM 1984 CA VAL A 128 7.716 15.278 -17.182 1.00 11.13 C ATOM 1985 C VAL A 128 7.833 14.036 -16.288 1.00 73.13 C ATOM 1986 O VAL A 128 8.413 13.031 -16.682 1.00 44.11 O ATOM 1987 CB VAL A 128 9.077 16.031 -17.197 1.00 22.31 C ATOM 1988 CG1 VAL A 128 9.017 17.225 -18.121 1.00 42.20 C ATOM 1989 CG2 VAL A 128 9.490 16.466 -15.802 1.00 14.30 C ATOM 0 H VAL A 128 6.899 17.073 -16.440 1.00 62.44 H new ATOM 0 HA VAL A 128 7.481 14.959 -18.197 1.00 11.13 H new ATOM 0 HB VAL A 128 9.830 15.336 -17.568 1.00 22.31 H new ATOM 0 HG11 VAL A 128 9.979 17.737 -18.116 1.00 42.20 H new ATOM 0 HG12 VAL A 128 8.789 16.891 -19.133 1.00 42.20 H new ATOM 0 HG13 VAL A 128 8.240 17.910 -17.781 1.00 42.20 H new ATOM 0 HG21 VAL A 128 10.445 16.989 -15.852 1.00 14.30 H new ATOM 0 HG22 VAL A 128 8.733 17.133 -15.390 1.00 14.30 H new ATOM 0 HG23 VAL A 128 9.589 15.589 -15.162 1.00 14.30 H new ATOM 1999 N VAL A 129 7.252 14.114 -15.103 1.00 44.20 N ATOM 2000 CA VAL A 129 7.314 13.043 -14.125 1.00 21.11 C ATOM 2001 C VAL A 129 6.272 11.962 -14.443 1.00 52.52 C ATOM 2002 O VAL A 129 6.419 10.800 -14.054 1.00 13.53 O ATOM 2003 CB VAL A 129 7.093 13.607 -12.682 1.00 41.53 C ATOM 2004 CG1 VAL A 129 7.218 12.529 -11.615 1.00 63.21 C ATOM 2005 CG2 VAL A 129 8.058 14.751 -12.399 1.00 3.33 C ATOM 0 H VAL A 129 6.721 14.927 -14.791 1.00 44.20 H new ATOM 0 HA VAL A 129 8.305 12.591 -14.172 1.00 21.11 H new ATOM 0 HB VAL A 129 6.072 13.986 -12.640 1.00 41.53 H new ATOM 0 HG11 VAL A 129 7.056 12.970 -10.631 1.00 63.21 H new ATOM 0 HG12 VAL A 129 6.472 11.754 -11.792 1.00 63.21 H new ATOM 0 HG13 VAL A 129 8.215 12.090 -11.656 1.00 63.21 H new ATOM 0 HG21 VAL A 129 7.888 15.129 -11.391 1.00 3.33 H new ATOM 0 HG22 VAL A 129 9.083 14.391 -12.484 1.00 3.33 H new ATOM 0 HG23 VAL A 129 7.894 15.552 -13.120 1.00 3.33 H new ATOM 2015 N HIS A 130 5.239 12.330 -15.172 1.00 74.33 N ATOM 2016 CA HIS A 130 4.205 11.358 -15.501 1.00 33.45 C ATOM 2017 C HIS A 130 4.108 11.076 -16.997 1.00 34.35 C ATOM 2018 O HIS A 130 3.821 9.960 -17.398 1.00 32.22 O ATOM 2019 CB HIS A 130 2.814 11.731 -14.897 1.00 52.21 C ATOM 2020 CG HIS A 130 2.215 13.052 -15.333 1.00 42.32 C ATOM 2021 ND1 HIS A 130 1.995 14.092 -14.466 1.00 32.53 N ATOM 2022 CD2 HIS A 130 1.747 13.474 -16.534 1.00 64.33 C ATOM 2023 CE1 HIS A 130 1.425 15.090 -15.108 1.00 33.22 C ATOM 2024 NE2 HIS A 130 1.265 14.743 -16.361 1.00 74.14 N ATOM 0 H HIS A 130 5.090 13.269 -15.542 1.00 74.33 H new ATOM 0 HA HIS A 130 4.520 10.429 -15.027 1.00 33.45 H new ATOM 0 HB2 HIS A 130 2.110 10.938 -15.150 1.00 52.21 H new ATOM 0 HB3 HIS A 130 2.906 11.741 -13.811 1.00 52.21 H new ATOM 0 HD1 HIS A 130 2.236 14.092 -13.475 1.00 32.53 H new ATOM 0 HD2 HIS A 130 1.754 12.912 -17.456 1.00 64.33 H new ATOM 0 HE1 HIS A 130 1.137 16.036 -14.674 1.00 33.22 H new ATOM 2033 N ALA A 131 4.378 12.088 -17.809 1.00 21.14 N ATOM 2034 CA ALA A 131 4.203 11.992 -19.257 1.00 35.55 C ATOM 2035 C ALA A 131 5.038 10.894 -19.877 1.00 41.03 C ATOM 2036 O ALA A 131 4.495 9.996 -20.504 1.00 3.14 O ATOM 2037 CB ALA A 131 4.492 13.324 -19.933 1.00 55.22 C ATOM 0 H ALA A 131 4.722 12.993 -17.489 1.00 21.14 H new ATOM 0 HA ALA A 131 3.158 11.731 -19.422 1.00 35.55 H new ATOM 0 HB1 ALA A 131 4.354 13.223 -21.010 1.00 55.22 H new ATOM 0 HB2 ALA A 131 3.810 14.082 -19.549 1.00 55.22 H new ATOM 0 HB3 ALA A 131 5.520 13.622 -19.725 1.00 55.22 H new ATOM 2043 N GLU A 132 6.347 10.929 -19.656 1.00 32.55 N ATOM 2044 CA GLU A 132 7.234 9.970 -20.296 1.00 11.03 C ATOM 2045 C GLU A 132 6.959 8.557 -19.838 1.00 52.42 C ATOM 2046 O GLU A 132 7.081 7.613 -20.623 1.00 43.04 O ATOM 2047 CB GLU A 132 8.701 10.303 -20.078 1.00 24.40 C ATOM 2048 CG GLU A 132 9.142 11.638 -20.622 1.00 11.42 C ATOM 2049 CD GLU A 132 10.634 11.788 -20.535 1.00 74.30 C ATOM 2050 OE1 GLU A 132 11.339 11.347 -21.482 1.00 14.50 O ATOM 2051 OE2 GLU A 132 11.133 12.302 -19.531 1.00 74.43 O ATOM 0 H GLU A 132 6.811 11.602 -19.047 1.00 32.55 H new ATOM 0 HA GLU A 132 7.025 10.039 -21.364 1.00 11.03 H new ATOM 0 HB2 GLU A 132 8.908 10.278 -19.008 1.00 24.40 H new ATOM 0 HB3 GLU A 132 9.307 9.523 -20.538 1.00 24.40 H new ATOM 0 HG2 GLU A 132 8.823 11.735 -21.660 1.00 11.42 H new ATOM 0 HG3 GLU A 132 8.659 12.440 -20.064 1.00 11.42 H new ATOM 2058 N LYS A 133 6.574 8.418 -18.583 1.00 73.14 N ATOM 2059 CA LYS A 133 6.291 7.122 -18.010 1.00 52.33 C ATOM 2060 C LYS A 133 5.129 6.478 -18.775 1.00 21.22 C ATOM 2061 O LYS A 133 5.222 5.332 -19.223 1.00 41.34 O ATOM 2062 CB LYS A 133 5.962 7.277 -16.503 1.00 63.20 C ATOM 2063 CG LYS A 133 5.990 5.993 -15.692 1.00 40.32 C ATOM 2064 CD LYS A 133 4.899 5.027 -16.072 1.00 64.24 C ATOM 2065 CE LYS A 133 5.101 3.713 -15.392 1.00 2.12 C ATOM 2066 NZ LYS A 133 5.063 3.825 -13.915 1.00 3.52 N ATOM 0 H LYS A 133 6.450 9.198 -17.938 1.00 73.14 H new ATOM 0 HA LYS A 133 7.162 6.473 -18.096 1.00 52.33 H new ATOM 0 HB2 LYS A 133 6.671 7.979 -16.064 1.00 63.20 H new ATOM 0 HB3 LYS A 133 4.972 7.724 -16.409 1.00 63.20 H new ATOM 0 HG2 LYS A 133 6.957 5.509 -15.824 1.00 40.32 H new ATOM 0 HG3 LYS A 133 5.898 6.237 -14.634 1.00 40.32 H new ATOM 0 HD2 LYS A 133 3.928 5.440 -15.797 1.00 64.24 H new ATOM 0 HD3 LYS A 133 4.891 4.886 -17.153 1.00 64.24 H new ATOM 0 HE2 LYS A 133 4.330 3.016 -15.720 1.00 2.12 H new ATOM 0 HE3 LYS A 133 6.060 3.294 -15.697 1.00 2.12 H new ATOM 0 HZ1 LYS A 133 5.004 2.875 -13.496 1.00 3.52 H new ATOM 0 HZ2 LYS A 133 5.927 4.297 -13.580 1.00 3.52 H new ATOM 0 HZ3 LYS A 133 4.232 4.381 -13.630 1.00 3.52 H new ATOM 2080 N PHE A 134 4.056 7.219 -18.939 1.00 14.12 N ATOM 2081 CA PHE A 134 2.910 6.715 -19.658 1.00 30.11 C ATOM 2082 C PHE A 134 3.191 6.559 -21.139 1.00 2.13 C ATOM 2083 O PHE A 134 2.656 5.653 -21.776 1.00 51.43 O ATOM 2084 CB PHE A 134 1.641 7.522 -19.379 1.00 1.40 C ATOM 2085 CG PHE A 134 1.102 7.322 -17.979 1.00 41.45 C ATOM 2086 CD1 PHE A 134 1.549 8.090 -16.918 1.00 21.33 C ATOM 2087 CD2 PHE A 134 0.143 6.353 -17.733 1.00 3.23 C ATOM 2088 CE1 PHE A 134 1.054 7.899 -15.644 1.00 10.15 C ATOM 2089 CE2 PHE A 134 -0.356 6.156 -16.460 1.00 32.32 C ATOM 2090 CZ PHE A 134 0.099 6.929 -15.416 1.00 31.34 C ATOM 0 H PHE A 134 3.954 8.170 -18.585 1.00 14.12 H new ATOM 0 HA PHE A 134 2.716 5.713 -19.274 1.00 30.11 H new ATOM 0 HB2 PHE A 134 1.850 8.581 -19.533 1.00 1.40 H new ATOM 0 HB3 PHE A 134 0.874 7.241 -20.100 1.00 1.40 H new ATOM 0 HD1 PHE A 134 2.297 8.850 -17.090 1.00 21.33 H new ATOM 0 HD2 PHE A 134 -0.219 5.743 -18.547 1.00 3.23 H new ATOM 0 HE1 PHE A 134 1.413 8.507 -14.827 1.00 10.15 H new ATOM 0 HE2 PHE A 134 -1.103 5.396 -16.284 1.00 32.32 H new ATOM 0 HZ PHE A 134 -0.291 6.777 -14.420 1.00 31.34 H new ATOM 2100 N VAL A 135 4.048 7.425 -21.694 1.00 32.32 N ATOM 2101 CA VAL A 135 4.448 7.296 -23.090 1.00 22.14 C ATOM 2102 C VAL A 135 5.131 5.936 -23.320 1.00 25.25 C ATOM 2103 O VAL A 135 4.898 5.287 -24.342 1.00 61.34 O ATOM 2104 CB VAL A 135 5.353 8.475 -23.582 1.00 30.13 C ATOM 2105 CG1 VAL A 135 5.815 8.245 -25.010 1.00 14.44 C ATOM 2106 CG2 VAL A 135 4.591 9.788 -23.519 1.00 62.41 C ATOM 0 H VAL A 135 4.470 8.211 -21.200 1.00 32.32 H new ATOM 0 HA VAL A 135 3.540 7.347 -23.690 1.00 22.14 H new ATOM 0 HB VAL A 135 6.222 8.520 -22.926 1.00 30.13 H new ATOM 0 HG11 VAL A 135 6.442 9.078 -25.328 1.00 14.44 H new ATOM 0 HG12 VAL A 135 6.388 7.319 -25.062 1.00 14.44 H new ATOM 0 HG13 VAL A 135 4.947 8.173 -25.666 1.00 14.44 H new ATOM 0 HG21 VAL A 135 5.233 10.598 -23.864 1.00 62.41 H new ATOM 0 HG22 VAL A 135 3.709 9.728 -24.156 1.00 62.41 H new ATOM 0 HG23 VAL A 135 4.284 9.981 -22.491 1.00 62.41 H new ATOM 2116 N GLU A 136 5.942 5.497 -22.341 1.00 24.33 N ATOM 2117 CA GLU A 136 6.562 4.166 -22.389 1.00 54.32 C ATOM 2118 C GLU A 136 5.496 3.115 -22.501 1.00 12.31 C ATOM 2119 O GLU A 136 5.567 2.236 -23.359 1.00 4.55 O ATOM 2120 CB GLU A 136 7.387 3.891 -21.136 1.00 0.45 C ATOM 2121 CG GLU A 136 8.603 4.760 -20.979 1.00 71.54 C ATOM 2122 CD GLU A 136 9.614 4.564 -22.093 1.00 20.24 C ATOM 2123 OE1 GLU A 136 9.506 5.225 -23.139 1.00 3.25 O ATOM 2124 OE2 GLU A 136 10.555 3.755 -21.927 1.00 3.32 O ATOM 0 H GLU A 136 6.181 6.043 -21.513 1.00 24.33 H new ATOM 0 HA GLU A 136 7.220 4.138 -23.257 1.00 54.32 H new ATOM 0 HB2 GLU A 136 6.749 4.022 -20.262 1.00 0.45 H new ATOM 0 HB3 GLU A 136 7.702 2.848 -21.147 1.00 0.45 H new ATOM 0 HG2 GLU A 136 8.296 5.806 -20.953 1.00 71.54 H new ATOM 0 HG3 GLU A 136 9.077 4.544 -20.022 1.00 71.54 H new ATOM 2131 N THR A 137 4.490 3.235 -21.648 1.00 75.40 N ATOM 2132 CA THR A 137 3.389 2.321 -21.624 1.00 14.33 C ATOM 2133 C THR A 137 2.698 2.276 -23.000 1.00 43.44 C ATOM 2134 O THR A 137 2.456 1.200 -23.531 1.00 12.32 O ATOM 2135 CB THR A 137 2.388 2.713 -20.513 1.00 72.43 C ATOM 2136 OG1 THR A 137 3.102 2.822 -19.264 1.00 74.32 O ATOM 2137 CG2 THR A 137 1.304 1.654 -20.363 1.00 14.34 C ATOM 0 H THR A 137 4.427 3.979 -20.953 1.00 75.40 H new ATOM 0 HA THR A 137 3.767 1.323 -21.403 1.00 14.33 H new ATOM 0 HB THR A 137 1.921 3.661 -20.779 1.00 72.43 H new ATOM 0 HG1 THR A 137 2.478 3.072 -18.551 1.00 74.32 H new ATOM 0 HG21 THR A 137 0.611 1.951 -19.576 1.00 14.34 H new ATOM 0 HG22 THR A 137 0.762 1.552 -21.303 1.00 14.34 H new ATOM 0 HG23 THR A 137 1.761 0.700 -20.102 1.00 14.34 H new ATOM 2145 N PHE A 138 2.429 3.447 -23.591 1.00 31.42 N ATOM 2146 CA PHE A 138 1.822 3.493 -24.923 1.00 54.53 C ATOM 2147 C PHE A 138 2.712 2.835 -25.966 1.00 3.44 C ATOM 2148 O PHE A 138 2.250 1.989 -26.715 1.00 71.45 O ATOM 2149 CB PHE A 138 1.423 4.917 -25.360 1.00 4.13 C ATOM 2150 CG PHE A 138 0.277 5.507 -24.578 1.00 22.05 C ATOM 2151 CD1 PHE A 138 -1.015 5.045 -24.776 1.00 53.24 C ATOM 2152 CD2 PHE A 138 0.486 6.513 -23.654 1.00 2.31 C ATOM 2153 CE1 PHE A 138 -2.073 5.577 -24.066 1.00 71.50 C ATOM 2154 CE2 PHE A 138 -0.569 7.049 -22.940 1.00 41.22 C ATOM 2155 CZ PHE A 138 -1.851 6.580 -23.147 1.00 34.20 C ATOM 0 H PHE A 138 2.619 4.359 -23.175 1.00 31.42 H new ATOM 0 HA PHE A 138 0.898 2.920 -24.849 1.00 54.53 H new ATOM 0 HB2 PHE A 138 2.290 5.571 -25.262 1.00 4.13 H new ATOM 0 HB3 PHE A 138 1.156 4.899 -26.417 1.00 4.13 H new ATOM 0 HD1 PHE A 138 -1.196 4.259 -25.494 1.00 53.24 H new ATOM 0 HD2 PHE A 138 1.486 6.885 -23.488 1.00 2.31 H new ATOM 0 HE1 PHE A 138 -3.074 5.207 -24.231 1.00 71.50 H new ATOM 0 HE2 PHE A 138 -0.391 7.834 -22.220 1.00 41.22 H new ATOM 0 HZ PHE A 138 -2.677 6.998 -22.591 1.00 34.20 H new ATOM 2165 N ARG A 139 3.993 3.193 -25.978 1.00 64.11 N ATOM 2166 CA ARG A 139 4.957 2.610 -26.924 1.00 14.51 C ATOM 2167 C ARG A 139 4.955 1.089 -26.831 1.00 0.31 C ATOM 2168 O ARG A 139 4.867 0.393 -27.852 1.00 62.11 O ATOM 2169 CB ARG A 139 6.375 3.141 -26.667 1.00 12.13 C ATOM 2170 CG ARG A 139 6.548 4.627 -26.921 1.00 33.35 C ATOM 2171 CD ARG A 139 7.950 5.094 -26.556 1.00 34.32 C ATOM 2172 NE ARG A 139 8.143 6.520 -26.844 1.00 64.12 N ATOM 2173 CZ ARG A 139 9.078 7.303 -26.292 1.00 63.34 C ATOM 2174 NH1 ARG A 139 9.887 6.828 -25.357 1.00 1.42 N ATOM 2175 NH2 ARG A 139 9.178 8.577 -26.664 1.00 42.21 N ATOM 0 H ARG A 139 4.394 3.885 -25.345 1.00 64.11 H new ATOM 0 HA ARG A 139 4.650 2.905 -27.927 1.00 14.51 H new ATOM 0 HB2 ARG A 139 6.647 2.928 -25.633 1.00 12.13 H new ATOM 0 HB3 ARG A 139 7.074 2.594 -27.299 1.00 12.13 H new ATOM 0 HG2 ARG A 139 6.353 4.843 -27.971 1.00 33.35 H new ATOM 0 HG3 ARG A 139 5.814 5.185 -26.339 1.00 33.35 H new ATOM 0 HD2 ARG A 139 8.130 4.910 -25.497 1.00 34.32 H new ATOM 0 HD3 ARG A 139 8.684 4.509 -27.111 1.00 34.32 H new ATOM 0 HE ARG A 139 7.513 6.950 -27.521 1.00 64.12 H new ATOM 0 HH11 ARG A 139 9.800 5.858 -25.052 1.00 1.42 H new ATOM 0 HH12 ARG A 139 10.597 7.432 -24.942 1.00 1.42 H new ATOM 0 HH21 ARG A 139 8.543 8.954 -27.368 1.00 42.21 H new ATOM 0 HH22 ARG A 139 9.889 9.176 -26.245 1.00 42.21 H new ATOM 2189 N LYS A 140 5.016 0.587 -25.602 1.00 45.35 N ATOM 2190 CA LYS A 140 5.028 -0.850 -25.347 1.00 20.35 C ATOM 2191 C LYS A 140 3.701 -1.509 -25.730 1.00 2.31 C ATOM 2192 O LYS A 140 3.690 -2.591 -26.321 1.00 35.24 O ATOM 2193 CB LYS A 140 5.347 -1.149 -23.879 1.00 31.33 C ATOM 2194 CG LYS A 140 6.698 -0.644 -23.397 1.00 35.44 C ATOM 2195 CD LYS A 140 7.851 -1.294 -24.133 1.00 14.30 C ATOM 2196 CE LYS A 140 9.176 -0.774 -23.613 1.00 11.05 C ATOM 2197 NZ LYS A 140 10.314 -1.422 -24.271 1.00 2.44 N ATOM 0 H LYS A 140 5.058 1.160 -24.759 1.00 45.35 H new ATOM 0 HA LYS A 140 5.813 -1.272 -25.975 1.00 20.35 H new ATOM 0 HB2 LYS A 140 4.568 -0.708 -23.257 1.00 31.33 H new ATOM 0 HB3 LYS A 140 5.304 -2.227 -23.726 1.00 31.33 H new ATOM 0 HG2 LYS A 140 6.748 0.437 -23.530 1.00 35.44 H new ATOM 0 HG3 LYS A 140 6.796 -0.838 -22.329 1.00 35.44 H new ATOM 0 HD2 LYS A 140 7.805 -2.376 -24.009 1.00 14.30 H new ATOM 0 HD3 LYS A 140 7.768 -1.091 -25.201 1.00 14.30 H new ATOM 0 HE2 LYS A 140 9.230 0.303 -23.771 1.00 11.05 H new ATOM 0 HE3 LYS A 140 9.235 -0.942 -22.538 1.00 11.05 H new ATOM 0 HZ1 LYS A 140 11.201 -1.039 -23.887 1.00 2.44 H new ATOM 0 HZ2 LYS A 140 10.277 -2.447 -24.099 1.00 2.44 H new ATOM 0 HZ3 LYS A 140 10.273 -1.241 -25.294 1.00 2.44 H new ATOM 2211 N MET A 141 2.596 -0.879 -25.391 1.00 21.24 N ATOM 2212 CA MET A 141 1.294 -1.440 -25.710 1.00 52.22 C ATOM 2213 C MET A 141 1.060 -1.469 -27.209 1.00 32.34 C ATOM 2214 O MET A 141 0.584 -2.465 -27.741 1.00 41.13 O ATOM 2215 CB MET A 141 0.145 -0.733 -24.977 1.00 13.42 C ATOM 2216 CG MET A 141 0.206 -0.864 -23.460 1.00 31.13 C ATOM 2217 SD MET A 141 -1.206 -0.108 -22.618 1.00 44.40 S ATOM 2218 CE MET A 141 -1.122 1.583 -23.223 1.00 73.45 C ATOM 0 H MET A 141 2.569 0.014 -24.899 1.00 21.24 H new ATOM 0 HA MET A 141 1.302 -2.468 -25.348 1.00 52.22 H new ATOM 0 HB2 MET A 141 0.155 0.324 -25.241 1.00 13.42 H new ATOM 0 HB3 MET A 141 -0.803 -1.141 -25.329 1.00 13.42 H new ATOM 0 HG2 MET A 141 0.255 -1.920 -23.195 1.00 31.13 H new ATOM 0 HG3 MET A 141 1.125 -0.402 -23.099 1.00 31.13 H new ATOM 0 HE1 MET A 141 -1.720 2.229 -22.580 1.00 73.45 H new ATOM 0 HE2 MET A 141 -0.086 1.921 -23.215 1.00 73.45 H new ATOM 0 HE3 MET A 141 -1.510 1.625 -24.241 1.00 73.45 H new ATOM 2228 N LEU A 142 1.420 -0.398 -27.889 1.00 23.34 N ATOM 2229 CA LEU A 142 1.285 -0.343 -29.336 1.00 1.20 C ATOM 2230 C LEU A 142 2.066 -1.429 -30.052 1.00 23.24 C ATOM 2231 O LEU A 142 1.491 -2.159 -30.852 1.00 2.11 O ATOM 2232 CB LEU A 142 1.579 1.048 -29.912 1.00 62.43 C ATOM 2233 CG LEU A 142 0.402 2.054 -29.931 1.00 11.12 C ATOM 2234 CD1 LEU A 142 -0.716 1.560 -30.836 1.00 11.45 C ATOM 2235 CD2 LEU A 142 -0.140 2.354 -28.541 1.00 1.34 C ATOM 0 H LEU A 142 1.808 0.445 -27.466 1.00 23.34 H new ATOM 0 HA LEU A 142 0.232 -0.545 -29.530 1.00 1.20 H new ATOM 0 HB2 LEU A 142 2.394 1.489 -29.339 1.00 62.43 H new ATOM 0 HB3 LEU A 142 1.938 0.925 -30.934 1.00 62.43 H new ATOM 0 HG LEU A 142 0.800 2.988 -30.328 1.00 11.12 H new ATOM 0 HD11 LEU A 142 -1.532 2.283 -30.834 1.00 11.45 H new ATOM 0 HD12 LEU A 142 -0.337 1.443 -31.851 1.00 11.45 H new ATOM 0 HD13 LEU A 142 -1.081 0.599 -30.472 1.00 11.45 H new ATOM 0 HD21 LEU A 142 -0.963 3.065 -28.617 1.00 1.34 H new ATOM 0 HD22 LEU A 142 -0.498 1.432 -28.083 1.00 1.34 H new ATOM 0 HD23 LEU A 142 0.652 2.781 -27.926 1.00 1.34 H new ATOM 2247 N GLU A 143 3.352 -1.591 -29.721 1.00 52.31 N ATOM 2248 CA GLU A 143 4.190 -2.600 -30.400 1.00 72.30 C ATOM 2249 C GLU A 143 3.675 -4.023 -30.154 1.00 2.24 C ATOM 2250 O GLU A 143 3.794 -4.906 -31.011 1.00 61.43 O ATOM 2251 CB GLU A 143 5.671 -2.456 -29.993 1.00 52.34 C ATOM 2252 CG GLU A 143 5.928 -2.546 -28.496 1.00 75.22 C ATOM 2253 CD GLU A 143 7.377 -2.351 -28.138 1.00 25.21 C ATOM 2254 OE1 GLU A 143 7.831 -1.191 -28.045 1.00 62.02 O ATOM 2255 OE2 GLU A 143 8.091 -3.354 -27.947 1.00 44.43 O ATOM 0 H GLU A 143 3.833 -1.051 -29.002 1.00 52.31 H new ATOM 0 HA GLU A 143 4.121 -2.416 -31.472 1.00 72.30 H new ATOM 0 HB2 GLU A 143 6.249 -3.232 -30.495 1.00 52.34 H new ATOM 0 HB3 GLU A 143 6.042 -1.497 -30.355 1.00 52.34 H new ATOM 0 HG2 GLU A 143 5.328 -1.794 -27.984 1.00 75.22 H new ATOM 0 HG3 GLU A 143 5.597 -3.519 -28.133 1.00 75.22 H new ATOM 2262 N TRP A 144 3.080 -4.209 -29.001 1.00 34.21 N ATOM 2263 CA TRP A 144 2.538 -5.480 -28.570 1.00 32.14 C ATOM 2264 C TRP A 144 1.205 -5.782 -29.291 1.00 31.24 C ATOM 2265 O TRP A 144 0.917 -6.927 -29.642 1.00 72.03 O ATOM 2266 CB TRP A 144 2.366 -5.415 -27.049 1.00 70.54 C ATOM 2267 CG TRP A 144 1.880 -6.653 -26.370 1.00 2.00 C ATOM 2268 CD1 TRP A 144 2.467 -7.884 -26.379 1.00 63.41 C ATOM 2269 CD2 TRP A 144 0.737 -6.756 -25.517 1.00 62.32 C ATOM 2270 NE1 TRP A 144 1.742 -8.748 -25.602 1.00 12.23 N ATOM 2271 CE2 TRP A 144 0.675 -8.081 -25.063 1.00 2.51 C ATOM 2272 CE3 TRP A 144 -0.248 -5.856 -25.101 1.00 11.50 C ATOM 2273 CZ2 TRP A 144 -0.331 -8.531 -24.210 1.00 11.23 C ATOM 2274 CZ3 TRP A 144 -1.240 -6.304 -24.256 1.00 50.31 C ATOM 2275 CH2 TRP A 144 -1.276 -7.630 -23.820 1.00 55.21 C ATOM 0 H TRP A 144 2.955 -3.463 -28.317 1.00 34.21 H new ATOM 0 HA TRP A 144 3.214 -6.296 -28.827 1.00 32.14 H new ATOM 0 HB2 TRP A 144 3.326 -5.142 -26.611 1.00 70.54 H new ATOM 0 HB3 TRP A 144 1.670 -4.608 -26.821 1.00 70.54 H new ATOM 0 HD1 TRP A 144 3.368 -8.139 -26.918 1.00 63.41 H new ATOM 0 HE1 TRP A 144 1.962 -9.732 -25.449 1.00 12.23 H new ATOM 0 HE3 TRP A 144 -0.232 -4.829 -25.435 1.00 11.50 H new ATOM 0 HZ2 TRP A 144 -0.361 -9.556 -23.871 1.00 11.23 H new ATOM 0 HZ3 TRP A 144 -2.004 -5.616 -23.925 1.00 50.31 H new ATOM 0 HH2 TRP A 144 -2.069 -7.948 -23.160 1.00 55.21 H new ATOM 2286 N ASN A 145 0.411 -4.749 -29.522 1.00 42.04 N ATOM 2287 CA ASN A 145 -0.886 -4.911 -30.195 1.00 43.20 C ATOM 2288 C ASN A 145 -0.778 -4.938 -31.704 1.00 75.41 C ATOM 2289 O ASN A 145 -1.513 -5.673 -32.362 1.00 71.44 O ATOM 2290 CB ASN A 145 -1.924 -3.857 -29.760 1.00 31.44 C ATOM 2291 CG ASN A 145 -2.481 -4.084 -28.367 1.00 22.33 C ATOM 2292 OD1 ASN A 145 -3.496 -4.770 -28.197 1.00 2.43 O ATOM 2293 ND2 ASN A 145 -1.849 -3.529 -27.375 1.00 73.33 N ATOM 0 H ASN A 145 0.633 -3.789 -29.258 1.00 42.04 H new ATOM 0 HA ASN A 145 -1.240 -5.890 -29.870 1.00 43.20 H new ATOM 0 HB2 ASN A 145 -1.464 -2.870 -29.801 1.00 31.44 H new ATOM 0 HB3 ASN A 145 -2.747 -3.855 -30.474 1.00 31.44 H new ATOM 0 HD21 ASN A 145 -2.188 -3.653 -26.421 1.00 73.33 H new ATOM 0 HD22 ASN A 145 -1.015 -2.969 -27.551 1.00 73.33 H new ATOM 2300 N LYS A 146 0.136 -4.164 -32.267 1.00 13.24 N ATOM 2301 CA LYS A 146 0.247 -4.110 -33.724 1.00 62.33 C ATOM 2302 C LYS A 146 1.000 -5.293 -34.286 1.00 24.41 C ATOM 2303 O LYS A 146 1.080 -5.468 -35.503 1.00 62.14 O ATOM 2304 CB LYS A 146 0.803 -2.746 -34.242 1.00 44.24 C ATOM 2305 CG LYS A 146 2.221 -2.323 -33.782 1.00 73.01 C ATOM 2306 CD LYS A 146 3.399 -3.158 -34.351 1.00 72.53 C ATOM 2307 CE LYS A 146 3.658 -2.948 -35.865 1.00 62.12 C ATOM 2308 NZ LYS A 146 2.595 -3.486 -36.750 1.00 73.43 N ATOM 0 H LYS A 146 0.797 -3.578 -31.758 1.00 13.24 H new ATOM 0 HA LYS A 146 -0.771 -4.180 -34.107 1.00 62.33 H new ATOM 0 HB2 LYS A 146 0.799 -2.775 -35.332 1.00 44.24 H new ATOM 0 HB3 LYS A 146 0.106 -1.964 -33.941 1.00 44.24 H new ATOM 0 HG2 LYS A 146 2.375 -1.280 -34.058 1.00 73.01 H new ATOM 0 HG3 LYS A 146 2.258 -2.374 -32.694 1.00 73.01 H new ATOM 0 HD2 LYS A 146 4.306 -2.907 -33.801 1.00 72.53 H new ATOM 0 HD3 LYS A 146 3.200 -4.215 -34.172 1.00 72.53 H new ATOM 0 HE2 LYS A 146 3.768 -1.881 -36.058 1.00 62.12 H new ATOM 0 HE3 LYS A 146 4.605 -3.419 -36.128 1.00 62.12 H new ATOM 0 HZ1 LYS A 146 3.018 -3.807 -37.644 1.00 73.43 H new ATOM 0 HZ2 LYS A 146 2.126 -4.287 -36.281 1.00 73.43 H new ATOM 0 HZ3 LYS A 146 1.896 -2.741 -36.945 1.00 73.43 H new ATOM 2322 N ASN A 147 1.559 -6.094 -33.421 1.00 12.14 N ATOM 2323 CA ASN A 147 2.268 -7.261 -33.856 1.00 51.23 C ATOM 2324 C ASN A 147 2.060 -8.424 -32.901 1.00 13.12 C ATOM 2325 O ASN A 147 2.825 -8.615 -31.961 1.00 24.33 O ATOM 2326 CB ASN A 147 3.756 -6.965 -34.067 1.00 12.12 C ATOM 2327 CG ASN A 147 4.548 -8.163 -34.553 1.00 75.01 C ATOM 2328 OD1 ASN A 147 4.014 -9.058 -35.212 1.00 34.04 O ATOM 2329 ND2 ASN A 147 5.822 -8.186 -34.247 1.00 4.13 N ATOM 0 H ASN A 147 1.536 -5.958 -32.410 1.00 12.14 H new ATOM 0 HA ASN A 147 1.855 -7.555 -34.821 1.00 51.23 H new ATOM 0 HB2 ASN A 147 3.858 -6.155 -34.789 1.00 12.12 H new ATOM 0 HB3 ASN A 147 4.185 -6.612 -33.129 1.00 12.12 H new ATOM 0 HD21 ASN A 147 6.407 -8.963 -34.556 1.00 4.13 H new ATOM 0 HD22 ASN A 147 6.229 -7.427 -33.700 1.00 4.13 H new ATOM 2336 N PRO A 148 0.977 -9.196 -33.102 1.00 73.41 N ATOM 2337 CA PRO A 148 0.677 -10.375 -32.283 1.00 51.15 C ATOM 2338 C PRO A 148 1.668 -11.493 -32.575 1.00 11.42 C ATOM 2339 O PRO A 148 1.915 -12.364 -31.747 1.00 33.01 O ATOM 2340 CB PRO A 148 -0.736 -10.785 -32.735 1.00 24.13 C ATOM 2341 CG PRO A 148 -1.252 -9.612 -33.499 1.00 13.14 C ATOM 2342 CD PRO A 148 -0.057 -8.972 -34.118 1.00 74.33 C ATOM 0 HA PRO A 148 0.741 -10.173 -31.214 1.00 51.15 H new ATOM 0 HB2 PRO A 148 -0.707 -11.680 -33.357 1.00 24.13 H new ATOM 0 HB3 PRO A 148 -1.374 -11.011 -31.880 1.00 24.13 H new ATOM 0 HG2 PRO A 148 -1.966 -9.925 -34.261 1.00 13.14 H new ATOM 0 HG3 PRO A 148 -1.772 -8.915 -32.841 1.00 13.14 H new ATOM 0 HD2 PRO A 148 0.203 -9.432 -35.071 1.00 74.33 H new ATOM 0 HD3 PRO A 148 -0.217 -7.911 -34.309 1.00 74.33 H new ATOM 2350 N ASN A 149 2.269 -11.429 -33.751 1.00 14.42 N ATOM 2351 CA ASN A 149 3.251 -12.415 -34.173 1.00 42.55 C ATOM 2352 C ASN A 149 4.576 -12.155 -33.483 1.00 72.23 C ATOM 2353 O ASN A 149 5.479 -12.995 -33.489 1.00 43.51 O ATOM 2354 CB ASN A 149 3.422 -12.406 -35.699 1.00 34.44 C ATOM 2355 CG ASN A 149 2.147 -12.780 -36.438 1.00 53.35 C ATOM 2356 OD1 ASN A 149 1.321 -11.918 -36.759 1.00 71.24 O ATOM 2357 ND2 ASN A 149 1.975 -14.045 -36.723 1.00 31.12 N ATOM 0 H ASN A 149 2.092 -10.696 -34.438 1.00 14.42 H new ATOM 0 HA ASN A 149 2.893 -13.404 -33.886 1.00 42.55 H new ATOM 0 HB2 ASN A 149 3.744 -11.415 -36.018 1.00 34.44 H new ATOM 0 HB3 ASN A 149 4.214 -13.102 -35.975 1.00 34.44 H new ATOM 0 HD21 ASN A 149 1.139 -14.346 -37.225 1.00 31.12 H new ATOM 0 HD22 ASN A 149 2.676 -14.731 -36.443 1.00 31.12 H new ATOM 2364 N GLY A 150 4.676 -10.991 -32.871 1.00 43.12 N ATOM 2365 CA GLY A 150 5.853 -10.621 -32.142 1.00 42.35 C ATOM 2366 C GLY A 150 5.700 -10.917 -30.679 1.00 50.41 C ATOM 2367 O GLY A 150 6.576 -10.599 -29.877 1.00 71.43 O ATOM 0 H GLY A 150 3.941 -10.284 -32.870 1.00 43.12 H new ATOM 0 HA2 GLY A 150 6.713 -11.161 -32.537 1.00 42.35 H new ATOM 0 HA3 GLY A 150 6.052 -9.558 -32.282 1.00 42.35 H new