USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 638 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 Single : A 8 ASN :FLIP amide:sc= -1.47 F(o=-3.1!,f=-1.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 55:sc= 0.165 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 151:sc= 0.535 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= 1.23 (180deg=1.15) USER MOD Single : A 32 MET CE :methyl -163:sc= 0 (180deg=-0.344) USER MOD Single : A 34 MET CE :methyl -155:sc= -0.212 (180deg=-0.961) USER MOD Single : A 40 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 43 TYR OH : rot 70:sc= 0.215 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -15:sc= 0.735 USER MOD Single : A 62 SER OG : rot 124:sc= 0.00312 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00141 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.219 (180deg=-0.81) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.048 2.661 9.780 1.00 42.03 N ATOM 57 CA GLY A 4 6.764 2.333 8.401 1.00 53.33 C ATOM 58 C GLY A 4 7.158 0.925 8.030 1.00 0.44 C ATOM 59 O GLY A 4 8.346 0.601 7.941 1.00 32.43 O ATOM 0 HA2 GLY A 4 5.698 2.466 8.215 1.00 53.33 H new ATOM 0 HA3 GLY A 4 7.290 3.033 7.752 1.00 53.33 H new ATOM 63 N ILE A 5 6.163 0.088 7.819 1.00 32.54 N ATOM 64 CA ILE A 5 6.391 -1.246 7.296 1.00 13.50 C ATOM 65 C ILE A 5 6.135 -1.227 5.799 1.00 42.55 C ATOM 66 O ILE A 5 5.584 -0.257 5.278 1.00 74.51 O ATOM 67 CB ILE A 5 5.479 -2.305 7.961 1.00 42.31 C ATOM 68 CG1 ILE A 5 4.006 -2.039 7.631 1.00 5.14 C ATOM 69 CG2 ILE A 5 5.697 -2.315 9.467 1.00 12.14 C ATOM 70 CD1 ILE A 5 3.061 -3.106 8.143 1.00 14.13 C ATOM 0 H ILE A 5 5.184 0.308 8.002 1.00 32.54 H new ATOM 0 HA ILE A 5 7.421 -1.525 7.516 1.00 13.50 H new ATOM 0 HB ILE A 5 5.742 -3.285 7.564 1.00 42.31 H new ATOM 0 HG12 ILE A 5 3.717 -1.077 8.055 1.00 5.14 H new ATOM 0 HG13 ILE A 5 3.895 -1.957 6.550 1.00 5.14 H new ATOM 0 HG21 ILE A 5 5.050 -3.064 9.923 1.00 12.14 H new ATOM 0 HG22 ILE A 5 6.738 -2.555 9.682 1.00 12.14 H new ATOM 0 HG23 ILE A 5 5.459 -1.333 9.876 1.00 12.14 H new ATOM 0 HD11 ILE A 5 2.038 -2.847 7.870 1.00 14.13 H new ATOM 0 HD12 ILE A 5 3.323 -4.067 7.700 1.00 14.13 H new ATOM 0 HD13 ILE A 5 3.142 -3.173 9.228 1.00 14.13 H new ATOM 82 N GLY A 6 6.530 -2.269 5.098 1.00 5.45 N ATOM 83 CA GLY A 6 6.281 -2.299 3.678 1.00 12.23 C ATOM 84 C GLY A 6 4.835 -2.623 3.376 1.00 41.33 C ATOM 85 O GLY A 6 4.214 -3.417 4.081 1.00 3.10 O ATOM 0 H GLY A 6 7.012 -3.084 5.477 1.00 5.45 H new ATOM 0 HA2 GLY A 6 6.537 -1.333 3.242 1.00 12.23 H new ATOM 0 HA3 GLY A 6 6.927 -3.042 3.210 1.00 12.23 H new ATOM 89 N LEU A 7 4.296 -2.003 2.339 1.00 64.33 N ATOM 90 CA LEU A 7 2.909 -2.228 1.940 1.00 4.14 C ATOM 91 C LEU A 7 2.709 -3.694 1.553 1.00 64.05 C ATOM 92 O LEU A 7 1.620 -4.248 1.689 1.00 65.11 O ATOM 93 CB LEU A 7 2.553 -1.289 0.777 1.00 52.33 C ATOM 94 CG LEU A 7 1.063 -1.170 0.432 1.00 15.23 C ATOM 95 CD1 LEU A 7 0.784 0.177 -0.215 1.00 43.34 C ATOM 96 CD2 LEU A 7 0.628 -2.291 -0.503 1.00 45.43 C ATOM 0 H LEU A 7 4.798 -1.336 1.753 1.00 64.33 H new ATOM 0 HA LEU A 7 2.244 -2.009 2.775 1.00 4.14 H new ATOM 0 HB2 LEU A 7 2.930 -0.294 1.013 1.00 52.33 H new ATOM 0 HB3 LEU A 7 3.084 -1.629 -0.112 1.00 52.33 H new ATOM 0 HG LEU A 7 0.493 -1.252 1.357 1.00 15.23 H new ATOM 0 HD11 LEU A 7 -0.276 0.252 -0.456 1.00 43.34 H new ATOM 0 HD12 LEU A 7 1.057 0.976 0.475 1.00 43.34 H new ATOM 0 HD13 LEU A 7 1.371 0.271 -1.128 1.00 43.34 H new ATOM 0 HD21 LEU A 7 -0.432 -2.183 -0.732 1.00 45.43 H new ATOM 0 HD22 LEU A 7 1.205 -2.240 -1.426 1.00 45.43 H new ATOM 0 HD23 LEU A 7 0.799 -3.254 -0.021 1.00 45.43 H new ATOM 108 N ASN A 8 3.788 -4.326 1.108 1.00 73.45 N ATOM 109 CA ASN A 8 3.763 -5.738 0.726 1.00 32.02 C ATOM 110 C ASN A 8 3.540 -6.624 1.949 1.00 13.31 C ATOM 111 O ASN A 8 3.218 -7.803 1.822 1.00 4.42 O ATOM 112 CB ASN A 8 5.079 -6.129 0.038 1.00 40.01 C ATOM 113 CG ASN A 8 6.234 -6.282 1.015 1.00 70.24 C ATOM 114 OD1 ASN A 8 6.907 -5.184 1.319 1.00 41.50 O flip ATOM 115 ND2 ASN A 8 6.516 -7.380 1.494 1.00 34.44 N flip ATOM 0 H ASN A 8 4.700 -3.881 1.001 1.00 73.45 H new ATOM 0 HA ASN A 8 2.938 -5.886 0.030 1.00 32.02 H new ATOM 0 HB2 ASN A 8 4.938 -7.067 -0.500 1.00 40.01 H new ATOM 0 HB3 ASN A 8 5.335 -5.372 -0.703 1.00 40.01 H new ATOM 0 HD21 ASN A 8 5.973 -8.204 1.235 1.00 34.44 H new ATOM 0 HD22 ASN A 8 7.292 -7.466 2.150 1.00 34.44 H new ATOM 122 N GLU A 9 3.710 -6.042 3.132 1.00 44.41 N ATOM 123 CA GLU A 9 3.611 -6.777 4.377 1.00 74.43 C ATOM 124 C GLU A 9 2.234 -6.609 5.012 1.00 41.52 C ATOM 125 O GLU A 9 1.944 -7.212 6.047 1.00 42.45 O ATOM 126 CB GLU A 9 4.695 -6.290 5.339 1.00 11.00 C ATOM 127 CG GLU A 9 6.104 -6.512 4.821 1.00 41.45 C ATOM 128 CD GLU A 9 7.170 -6.113 5.819 1.00 24.32 C ATOM 129 OE1 GLU A 9 7.578 -6.972 6.627 1.00 3.44 O ATOM 130 OE2 GLU A 9 7.616 -4.944 5.794 1.00 10.14 O ATOM 0 H GLU A 9 3.919 -5.051 3.249 1.00 44.41 H new ATOM 0 HA GLU A 9 3.753 -7.837 4.166 1.00 74.43 H new ATOM 0 HB2 GLU A 9 4.550 -5.227 5.531 1.00 11.00 H new ATOM 0 HB3 GLU A 9 4.581 -6.804 6.293 1.00 11.00 H new ATOM 0 HG2 GLU A 9 6.230 -7.564 4.565 1.00 41.45 H new ATOM 0 HG3 GLU A 9 6.242 -5.941 3.903 1.00 41.45 H new ATOM 137 N VAL A 10 1.391 -5.797 4.385 1.00 33.11 N ATOM 138 CA VAL A 10 0.057 -5.529 4.903 1.00 73.13 C ATOM 139 C VAL A 10 -0.883 -6.697 4.591 1.00 71.23 C ATOM 140 O VAL A 10 -0.623 -7.498 3.687 1.00 44.13 O ATOM 141 CB VAL A 10 -0.515 -4.215 4.318 1.00 61.44 C ATOM 142 CG1 VAL A 10 -1.848 -3.842 4.954 1.00 72.25 C ATOM 143 CG2 VAL A 10 0.480 -3.080 4.494 1.00 20.21 C ATOM 0 H VAL A 10 1.610 -5.312 3.515 1.00 33.11 H new ATOM 0 HA VAL A 10 0.134 -5.416 5.984 1.00 73.13 H new ATOM 0 HB VAL A 10 -0.689 -4.382 3.255 1.00 61.44 H new ATOM 0 HG11 VAL A 10 -2.214 -2.914 4.515 1.00 72.25 H new ATOM 0 HG12 VAL A 10 -2.571 -4.638 4.776 1.00 72.25 H new ATOM 0 HG13 VAL A 10 -1.714 -3.707 6.027 1.00 72.25 H new ATOM 0 HG21 VAL A 10 0.063 -2.163 4.078 1.00 20.21 H new ATOM 0 HG22 VAL A 10 0.684 -2.937 5.555 1.00 20.21 H new ATOM 0 HG23 VAL A 10 1.407 -3.325 3.976 1.00 20.21 H new ATOM 153 N GLU A 11 -1.970 -6.779 5.340 1.00 24.00 N ATOM 154 CA GLU A 11 -2.905 -7.886 5.235 1.00 13.11 C ATOM 155 C GLU A 11 -4.146 -7.456 4.448 1.00 0.23 C ATOM 156 O GLU A 11 -4.307 -6.281 4.119 1.00 73.13 O ATOM 157 CB GLU A 11 -3.281 -8.361 6.640 1.00 53.03 C ATOM 158 CG GLU A 11 -3.910 -9.741 6.694 1.00 62.45 C ATOM 159 CD GLU A 11 -4.093 -10.226 8.115 1.00 64.22 C ATOM 160 OE1 GLU A 11 -5.151 -9.943 8.710 1.00 34.13 O ATOM 161 OE2 GLU A 11 -3.175 -10.886 8.645 1.00 11.31 O ATOM 0 H GLU A 11 -2.229 -6.081 6.037 1.00 24.00 H new ATOM 0 HA GLU A 11 -2.439 -8.712 4.697 1.00 13.11 H new ATOM 0 HB2 GLU A 11 -2.385 -8.360 7.261 1.00 53.03 H new ATOM 0 HB3 GLU A 11 -3.974 -7.643 7.079 1.00 53.03 H new ATOM 0 HG2 GLU A 11 -4.877 -9.718 6.191 1.00 62.45 H new ATOM 0 HG3 GLU A 11 -3.283 -10.446 6.148 1.00 62.45 H new ATOM 168 N ILE A 12 -5.024 -8.408 4.168 1.00 52.24 N ATOM 169 CA ILE A 12 -6.184 -8.167 3.313 1.00 25.42 C ATOM 170 C ILE A 12 -7.289 -7.399 4.036 1.00 52.52 C ATOM 171 O ILE A 12 -7.438 -7.499 5.259 1.00 33.30 O ATOM 172 CB ILE A 12 -6.762 -9.490 2.763 1.00 60.21 C ATOM 173 CG1 ILE A 12 -7.186 -10.415 3.911 1.00 52.41 C ATOM 174 CG2 ILE A 12 -5.739 -10.176 1.872 1.00 30.42 C ATOM 175 CD1 ILE A 12 -7.813 -11.716 3.452 1.00 71.04 C ATOM 0 H ILE A 12 -4.957 -9.362 4.522 1.00 52.24 H new ATOM 0 HA ILE A 12 -5.826 -7.556 2.485 1.00 25.42 H new ATOM 0 HB ILE A 12 -7.647 -9.263 2.168 1.00 60.21 H new ATOM 0 HG12 ILE A 12 -6.313 -10.640 4.524 1.00 52.41 H new ATOM 0 HG13 ILE A 12 -7.895 -9.886 4.548 1.00 52.41 H new ATOM 0 HG21 ILE A 12 -6.156 -11.108 1.489 1.00 30.42 H new ATOM 0 HG22 ILE A 12 -5.486 -9.522 1.038 1.00 30.42 H new ATOM 0 HG23 ILE A 12 -4.840 -10.391 2.449 1.00 30.42 H new ATOM 0 HD11 ILE A 12 -8.086 -12.315 4.321 1.00 71.04 H new ATOM 0 HD12 ILE A 12 -8.706 -11.502 2.864 1.00 71.04 H new ATOM 0 HD13 ILE A 12 -7.099 -12.268 2.840 1.00 71.04 H new ATOM 187 N LYS A 13 -8.039 -6.620 3.259 1.00 40.31 N ATOM 188 CA LYS A 13 -9.165 -5.822 3.749 1.00 50.30 C ATOM 189 C LYS A 13 -8.766 -4.917 4.911 1.00 75.40 C ATOM 190 O LYS A 13 -9.587 -4.584 5.768 1.00 22.42 O ATOM 191 CB LYS A 13 -10.349 -6.726 4.116 1.00 71.20 C ATOM 192 CG LYS A 13 -11.048 -7.285 2.887 1.00 21.25 C ATOM 193 CD LYS A 13 -12.301 -8.071 3.236 1.00 32.53 C ATOM 194 CE LYS A 13 -13.089 -8.419 1.982 1.00 53.11 C ATOM 195 NZ LYS A 13 -14.335 -9.166 2.293 1.00 43.13 N ATOM 0 H LYS A 13 -7.880 -6.523 2.256 1.00 40.31 H new ATOM 0 HA LYS A 13 -9.479 -5.164 2.939 1.00 50.30 H new ATOM 0 HB2 LYS A 13 -9.996 -7.549 4.737 1.00 71.20 H new ATOM 0 HB3 LYS A 13 -11.064 -6.160 4.713 1.00 71.20 H new ATOM 0 HG2 LYS A 13 -11.312 -6.465 2.219 1.00 21.25 H new ATOM 0 HG3 LYS A 13 -10.358 -7.930 2.343 1.00 21.25 H new ATOM 0 HD2 LYS A 13 -12.027 -8.985 3.764 1.00 32.53 H new ATOM 0 HD3 LYS A 13 -12.925 -7.487 3.912 1.00 32.53 H new ATOM 0 HE2 LYS A 13 -13.340 -7.503 1.447 1.00 53.11 H new ATOM 0 HE3 LYS A 13 -12.465 -9.016 1.317 1.00 53.11 H new ATOM 0 HZ1 LYS A 13 -14.840 -9.382 1.410 1.00 43.13 H new ATOM 0 HZ2 LYS A 13 -14.096 -10.053 2.781 1.00 43.13 H new ATOM 0 HZ3 LYS A 13 -14.943 -8.587 2.906 1.00 43.13 H new ATOM 209 N SER A 14 -7.514 -4.482 4.902 1.00 44.44 N ATOM 210 CA SER A 14 -7.011 -3.567 5.912 1.00 33.42 C ATOM 211 C SER A 14 -6.505 -2.298 5.234 1.00 70.21 C ATOM 212 O SER A 14 -5.983 -2.355 4.123 1.00 0.21 O ATOM 213 CB SER A 14 -5.876 -4.225 6.696 1.00 4.04 C ATOM 214 OG SER A 14 -6.208 -5.558 7.053 1.00 5.34 O ATOM 0 H SER A 14 -6.825 -4.752 4.200 1.00 44.44 H new ATOM 0 HA SER A 14 -7.815 -3.315 6.604 1.00 33.42 H new ATOM 0 HB2 SER A 14 -4.966 -4.222 6.096 1.00 4.04 H new ATOM 0 HB3 SER A 14 -5.667 -3.646 7.595 1.00 4.04 H new ATOM 0 HG SER A 14 -6.460 -6.059 6.249 1.00 5.34 H new ATOM 220 N LYS A 15 -6.657 -1.158 5.882 1.00 74.41 N ATOM 221 CA LYS A 15 -6.220 0.092 5.280 1.00 14.14 C ATOM 222 C LYS A 15 -5.006 0.670 5.998 1.00 52.12 C ATOM 223 O LYS A 15 -4.919 0.651 7.228 1.00 74.34 O ATOM 224 CB LYS A 15 -7.361 1.114 5.223 1.00 60.25 C ATOM 225 CG LYS A 15 -8.050 1.397 6.549 1.00 70.12 C ATOM 226 CD LYS A 15 -9.114 2.470 6.368 1.00 40.02 C ATOM 227 CE LYS A 15 -9.902 2.724 7.642 1.00 55.01 C ATOM 228 NZ LYS A 15 -10.936 3.778 7.447 1.00 53.04 N ATOM 0 H LYS A 15 -7.072 -1.069 6.809 1.00 74.41 H new ATOM 0 HA LYS A 15 -5.920 -0.133 4.257 1.00 14.14 H new ATOM 0 HB2 LYS A 15 -6.967 2.051 4.830 1.00 60.25 H new ATOM 0 HB3 LYS A 15 -8.108 0.760 4.513 1.00 60.25 H new ATOM 0 HG2 LYS A 15 -8.505 0.484 6.933 1.00 70.12 H new ATOM 0 HG3 LYS A 15 -7.316 1.722 7.287 1.00 70.12 H new ATOM 0 HD2 LYS A 15 -8.640 3.397 6.046 1.00 40.02 H new ATOM 0 HD3 LYS A 15 -9.798 2.169 5.574 1.00 40.02 H new ATOM 0 HE2 LYS A 15 -10.381 1.799 7.965 1.00 55.01 H new ATOM 0 HE3 LYS A 15 -9.221 3.025 8.438 1.00 55.01 H new ATOM 0 HZ1 LYS A 15 -11.454 3.925 8.337 1.00 53.04 H new ATOM 0 HZ2 LYS A 15 -10.477 4.667 7.163 1.00 53.04 H new ATOM 0 HZ3 LYS A 15 -11.600 3.479 6.705 1.00 53.04 H new ATOM 242 N VAL A 16 -4.066 1.166 5.206 1.00 64.34 N ATOM 243 CA VAL A 16 -2.829 1.743 5.707 1.00 4.33 C ATOM 244 C VAL A 16 -2.518 3.009 4.932 1.00 4.53 C ATOM 245 O VAL A 16 -3.081 3.241 3.865 1.00 50.50 O ATOM 246 CB VAL A 16 -1.647 0.756 5.572 1.00 74.22 C ATOM 247 CG1 VAL A 16 -1.804 -0.413 6.534 1.00 74.24 C ATOM 248 CG2 VAL A 16 -1.527 0.258 4.138 1.00 24.14 C ATOM 0 H VAL A 16 -4.142 1.179 4.189 1.00 64.34 H new ATOM 0 HA VAL A 16 -2.962 1.968 6.765 1.00 4.33 H new ATOM 0 HB VAL A 16 -0.730 1.286 5.830 1.00 74.22 H new ATOM 0 HG11 VAL A 16 -0.960 -1.094 6.420 1.00 74.24 H new ATOM 0 HG12 VAL A 16 -1.834 -0.040 7.558 1.00 74.24 H new ATOM 0 HG13 VAL A 16 -2.730 -0.944 6.314 1.00 74.24 H new ATOM 0 HG21 VAL A 16 -0.690 -0.436 4.063 1.00 24.14 H new ATOM 0 HG22 VAL A 16 -2.447 -0.251 3.852 1.00 24.14 H new ATOM 0 HG23 VAL A 16 -1.358 1.104 3.472 1.00 24.14 H new ATOM 258 N LYS A 17 -1.633 3.829 5.460 1.00 1.32 N ATOM 259 CA LYS A 17 -1.323 5.091 4.821 1.00 74.22 C ATOM 260 C LYS A 17 0.133 5.162 4.428 1.00 15.02 C ATOM 261 O LYS A 17 1.012 4.702 5.159 1.00 24.50 O ATOM 262 CB LYS A 17 -1.676 6.245 5.746 1.00 1.21 C ATOM 263 CG LYS A 17 -1.359 7.615 5.169 1.00 73.11 C ATOM 264 CD LYS A 17 -1.983 8.732 5.988 1.00 23.34 C ATOM 265 CE LYS A 17 -1.364 8.838 7.368 1.00 53.53 C ATOM 266 NZ LYS A 17 -2.048 9.862 8.199 1.00 45.24 N ATOM 0 H LYS A 17 -1.120 3.647 6.322 1.00 1.32 H new ATOM 0 HA LYS A 17 -1.920 5.166 3.912 1.00 74.22 H new ATOM 0 HB2 LYS A 17 -2.739 6.198 5.981 1.00 1.21 H new ATOM 0 HB3 LYS A 17 -1.136 6.123 6.685 1.00 1.21 H new ATOM 0 HG2 LYS A 17 -0.278 7.752 5.132 1.00 73.11 H new ATOM 0 HG3 LYS A 17 -1.723 7.670 4.143 1.00 73.11 H new ATOM 0 HD2 LYS A 17 -1.861 9.679 5.462 1.00 23.34 H new ATOM 0 HD3 LYS A 17 -3.054 8.556 6.084 1.00 23.34 H new ATOM 0 HE2 LYS A 17 -1.417 7.870 7.866 1.00 53.53 H new ATOM 0 HE3 LYS A 17 -0.308 9.091 7.275 1.00 53.53 H new ATOM 0 HZ1 LYS A 17 -1.598 9.906 9.135 1.00 45.24 H new ATOM 0 HZ2 LYS A 17 -1.975 10.790 7.736 1.00 45.24 H new ATOM 0 HZ3 LYS A 17 -3.050 9.607 8.309 1.00 45.24 H new ATOM 280 N VAL A 18 0.370 5.751 3.273 1.00 1.34 N ATOM 281 CA VAL A 18 1.711 5.894 2.739 1.00 12.12 C ATOM 282 C VAL A 18 2.468 6.968 3.506 1.00 74.33 C ATOM 283 O VAL A 18 2.345 8.161 3.221 1.00 11.24 O ATOM 284 CB VAL A 18 1.699 6.246 1.234 1.00 40.24 C ATOM 285 CG1 VAL A 18 3.116 6.313 0.680 1.00 73.20 C ATOM 286 CG2 VAL A 18 0.869 5.239 0.455 1.00 75.30 C ATOM 0 H VAL A 18 -0.360 6.144 2.678 1.00 1.34 H new ATOM 0 HA VAL A 18 2.211 4.933 2.856 1.00 12.12 H new ATOM 0 HB VAL A 18 1.243 7.230 1.121 1.00 40.24 H new ATOM 0 HG11 VAL A 18 3.081 6.562 -0.381 1.00 73.20 H new ATOM 0 HG12 VAL A 18 3.680 7.078 1.214 1.00 73.20 H new ATOM 0 HG13 VAL A 18 3.603 5.347 0.810 1.00 73.20 H new ATOM 0 HG21 VAL A 18 0.873 5.504 -0.602 1.00 75.30 H new ATOM 0 HG22 VAL A 18 1.293 4.243 0.581 1.00 75.30 H new ATOM 0 HG23 VAL A 18 -0.156 5.247 0.827 1.00 75.30 H new ATOM 296 N ILE A 19 3.206 6.536 4.511 1.00 25.23 N ATOM 297 CA ILE A 19 3.999 7.443 5.323 1.00 34.04 C ATOM 298 C ILE A 19 5.215 7.930 4.544 1.00 22.13 C ATOM 299 O ILE A 19 5.595 9.097 4.635 1.00 22.40 O ATOM 300 CB ILE A 19 4.463 6.771 6.633 1.00 23.05 C ATOM 301 CG1 ILE A 19 3.259 6.191 7.383 1.00 54.44 C ATOM 302 CG2 ILE A 19 5.216 7.761 7.517 1.00 24.44 C ATOM 303 CD1 ILE A 19 2.231 7.228 7.787 1.00 51.52 C ATOM 0 H ILE A 19 3.274 5.556 4.787 1.00 25.23 H new ATOM 0 HA ILE A 19 3.365 8.292 5.577 1.00 34.04 H new ATOM 0 HB ILE A 19 5.145 5.959 6.380 1.00 23.05 H new ATOM 0 HG12 ILE A 19 2.778 5.442 6.754 1.00 54.44 H new ATOM 0 HG13 ILE A 19 3.613 5.677 8.277 1.00 54.44 H new ATOM 0 HG21 ILE A 19 5.532 7.263 8.434 1.00 24.44 H new ATOM 0 HG22 ILE A 19 6.092 8.131 6.984 1.00 24.44 H new ATOM 0 HG23 ILE A 19 4.562 8.597 7.765 1.00 24.44 H new ATOM 0 HD11 ILE A 19 1.410 6.741 8.313 1.00 51.52 H new ATOM 0 HD12 ILE A 19 2.695 7.964 8.443 1.00 51.52 H new ATOM 0 HD13 ILE A 19 1.847 7.726 6.897 1.00 51.52 H new ATOM 315 N GLY A 20 5.818 7.037 3.772 1.00 74.23 N ATOM 316 CA GLY A 20 6.964 7.420 2.981 1.00 32.14 C ATOM 317 C GLY A 20 7.189 6.533 1.782 1.00 12.55 C ATOM 318 O GLY A 20 6.805 5.362 1.762 1.00 2.31 O ATOM 0 H GLY A 20 5.535 6.061 3.681 1.00 74.23 H new ATOM 0 HA2 GLY A 20 6.836 8.448 2.644 1.00 32.14 H new ATOM 0 HA3 GLY A 20 7.854 7.400 3.611 1.00 32.14 H new ATOM 322 N ILE A 21 7.812 7.117 0.785 1.00 73.43 N ATOM 323 CA ILE A 21 8.178 6.435 -0.437 1.00 0.15 C ATOM 324 C ILE A 21 9.703 6.393 -0.521 1.00 64.13 C ATOM 325 O ILE A 21 10.369 7.193 0.135 1.00 44.21 O ATOM 326 CB ILE A 21 7.595 7.187 -1.656 1.00 10.45 C ATOM 327 CG1 ILE A 21 6.073 7.300 -1.527 1.00 44.11 C ATOM 328 CG2 ILE A 21 7.968 6.505 -2.968 1.00 24.23 C ATOM 329 CD1 ILE A 21 5.414 8.063 -2.658 1.00 21.22 C ATOM 0 H ILE A 21 8.085 8.100 0.800 1.00 73.43 H new ATOM 0 HA ILE A 21 7.777 5.421 -0.439 1.00 0.15 H new ATOM 0 HB ILE A 21 8.028 8.187 -1.670 1.00 10.45 H new ATOM 0 HG12 ILE A 21 5.647 6.298 -1.482 1.00 44.11 H new ATOM 0 HG13 ILE A 21 5.834 7.791 -0.584 1.00 44.11 H new ATOM 0 HG21 ILE A 21 7.541 7.062 -3.802 1.00 24.23 H new ATOM 0 HG22 ILE A 21 9.053 6.477 -3.068 1.00 24.23 H new ATOM 0 HG23 ILE A 21 7.577 5.487 -2.973 1.00 24.23 H new ATOM 0 HD11 ILE A 21 4.337 8.099 -2.494 1.00 21.22 H new ATOM 0 HD12 ILE A 21 5.810 9.078 -2.691 1.00 21.22 H new ATOM 0 HD13 ILE A 21 5.620 7.562 -3.604 1.00 21.22 H new ATOM 341 N VAL A 22 10.258 5.466 -1.292 1.00 13.34 N ATOM 342 CA VAL A 22 11.705 5.371 -1.445 1.00 42.14 C ATOM 343 C VAL A 22 12.145 6.025 -2.768 1.00 30.24 C ATOM 344 O VAL A 22 12.107 5.414 -3.838 1.00 62.02 O ATOM 345 CB VAL A 22 12.212 3.907 -1.362 1.00 51.43 C ATOM 346 CG1 VAL A 22 11.552 3.022 -2.398 1.00 34.25 C ATOM 347 CG2 VAL A 22 13.727 3.853 -1.480 1.00 44.13 C ATOM 0 H VAL A 22 9.730 4.771 -1.820 1.00 13.34 H new ATOM 0 HA VAL A 22 12.156 5.910 -0.612 1.00 42.14 H new ATOM 0 HB VAL A 22 11.931 3.519 -0.383 1.00 51.43 H new ATOM 0 HG11 VAL A 22 11.935 2.006 -2.306 1.00 34.25 H new ATOM 0 HG12 VAL A 22 10.473 3.019 -2.240 1.00 34.25 H new ATOM 0 HG13 VAL A 22 11.772 3.403 -3.395 1.00 34.25 H new ATOM 0 HG21 VAL A 22 14.060 2.817 -1.419 1.00 44.13 H new ATOM 0 HG22 VAL A 22 14.033 4.277 -2.437 1.00 44.13 H new ATOM 0 HG23 VAL A 22 14.176 4.427 -0.669 1.00 44.13 H new ATOM 357 N PRO A 23 12.484 7.327 -2.719 1.00 21.20 N ATOM 358 CA PRO A 23 12.804 8.113 -3.916 1.00 41.31 C ATOM 359 C PRO A 23 13.995 7.549 -4.685 1.00 30.15 C ATOM 360 O PRO A 23 14.733 6.699 -4.178 1.00 34.35 O ATOM 361 CB PRO A 23 13.127 9.508 -3.368 1.00 73.42 C ATOM 362 CG PRO A 23 13.473 9.288 -1.938 1.00 51.42 C ATOM 363 CD PRO A 23 12.636 8.124 -1.492 1.00 74.10 C ATOM 0 HA PRO A 23 11.980 8.108 -4.629 1.00 41.31 H new ATOM 0 HB2 PRO A 23 13.957 9.963 -3.910 1.00 73.42 H new ATOM 0 HB3 PRO A 23 12.274 10.179 -3.469 1.00 73.42 H new ATOM 0 HG2 PRO A 23 14.535 9.074 -1.821 1.00 51.42 H new ATOM 0 HG3 PRO A 23 13.259 10.175 -1.342 1.00 51.42 H new ATOM 0 HD2 PRO A 23 13.126 7.556 -0.701 1.00 74.10 H new ATOM 0 HD3 PRO A 23 11.672 8.448 -1.101 1.00 74.10 H new ATOM 371 N GLU A 24 14.166 8.038 -5.911 1.00 63.15 N ATOM 372 CA GLU A 24 15.228 7.586 -6.811 1.00 13.22 C ATOM 373 C GLU A 24 15.014 6.127 -7.234 1.00 32.43 C ATOM 374 O GLU A 24 15.893 5.501 -7.824 1.00 52.02 O ATOM 375 CB GLU A 24 16.596 7.769 -6.147 1.00 14.34 C ATOM 376 CG GLU A 24 17.751 7.884 -7.125 1.00 61.51 C ATOM 377 CD GLU A 24 19.051 8.234 -6.438 1.00 64.32 C ATOM 378 OE1 GLU A 24 19.280 9.435 -6.169 1.00 73.10 O ATOM 379 OE2 GLU A 24 19.848 7.318 -6.157 1.00 42.43 O ATOM 0 H GLU A 24 13.570 8.762 -6.311 1.00 63.15 H new ATOM 0 HA GLU A 24 15.195 8.196 -7.713 1.00 13.22 H new ATOM 0 HB2 GLU A 24 16.569 8.665 -5.526 1.00 14.34 H new ATOM 0 HB3 GLU A 24 16.780 6.926 -5.482 1.00 14.34 H new ATOM 0 HG2 GLU A 24 17.867 6.941 -7.659 1.00 61.51 H new ATOM 0 HG3 GLU A 24 17.519 8.646 -7.870 1.00 61.51 H new ATOM 386 N SER A 25 13.831 5.601 -6.945 1.00 24.41 N ATOM 387 CA SER A 25 13.455 4.266 -7.390 1.00 55.50 C ATOM 388 C SER A 25 12.884 4.344 -8.799 1.00 44.01 C ATOM 389 O SER A 25 12.411 5.403 -9.223 1.00 61.35 O ATOM 390 CB SER A 25 12.405 3.662 -6.448 1.00 51.15 C ATOM 391 OG SER A 25 12.072 2.334 -6.821 1.00 62.53 O ATOM 0 H SER A 25 13.113 6.081 -6.402 1.00 24.41 H new ATOM 0 HA SER A 25 14.341 3.631 -7.383 1.00 55.50 H new ATOM 0 HB2 SER A 25 12.785 3.669 -5.426 1.00 51.15 H new ATOM 0 HB3 SER A 25 11.507 4.280 -6.459 1.00 51.15 H new ATOM 0 HG SER A 25 11.808 1.827 -6.025 1.00 62.53 H new ATOM 397 N LYS A 26 12.921 3.233 -9.521 1.00 63.21 N ATOM 398 CA LYS A 26 12.308 3.171 -10.838 1.00 35.53 C ATOM 399 C LYS A 26 10.799 3.241 -10.689 1.00 25.53 C ATOM 400 O LYS A 26 10.115 3.977 -11.403 1.00 71.31 O ATOM 401 CB LYS A 26 12.692 1.876 -11.560 1.00 4.34 C ATOM 402 CG LYS A 26 14.187 1.683 -11.741 1.00 35.31 C ATOM 403 CD LYS A 26 14.803 2.789 -12.578 1.00 44.35 C ATOM 404 CE LYS A 26 16.283 2.543 -12.802 1.00 55.22 C ATOM 405 NZ LYS A 26 16.921 3.631 -13.586 1.00 70.43 N ATOM 0 H LYS A 26 13.367 2.367 -9.218 1.00 63.21 H new ATOM 0 HA LYS A 26 12.666 4.013 -11.430 1.00 35.53 H new ATOM 0 HB2 LYS A 26 12.293 1.030 -11.001 1.00 4.34 H new ATOM 0 HB3 LYS A 26 12.214 1.864 -12.540 1.00 4.34 H new ATOM 0 HG2 LYS A 26 14.670 1.655 -10.764 1.00 35.31 H new ATOM 0 HG3 LYS A 26 14.374 0.720 -12.217 1.00 35.31 H new ATOM 0 HD2 LYS A 26 14.292 2.850 -13.539 1.00 44.35 H new ATOM 0 HD3 LYS A 26 14.662 3.748 -12.080 1.00 44.35 H new ATOM 0 HE2 LYS A 26 16.784 2.450 -11.838 1.00 55.22 H new ATOM 0 HE3 LYS A 26 16.417 1.595 -13.323 1.00 55.22 H new ATOM 0 HZ1 LYS A 26 17.931 3.420 -13.714 1.00 70.43 H new ATOM 0 HZ2 LYS A 26 16.462 3.704 -14.516 1.00 70.43 H new ATOM 0 HZ3 LYS A 26 16.817 4.532 -13.077 1.00 70.43 H new ATOM 419 N VAL A 27 10.289 2.493 -9.721 1.00 33.34 N ATOM 420 CA VAL A 27 8.856 2.422 -9.489 1.00 14.11 C ATOM 421 C VAL A 27 8.361 3.660 -8.749 1.00 54.10 C ATOM 422 O VAL A 27 7.164 3.932 -8.728 1.00 50.14 O ATOM 423 CB VAL A 27 8.463 1.148 -8.710 1.00 72.04 C ATOM 424 CG1 VAL A 27 8.867 -0.096 -9.487 1.00 61.23 C ATOM 425 CG2 VAL A 27 9.084 1.140 -7.320 1.00 75.10 C ATOM 0 H VAL A 27 10.848 1.926 -9.083 1.00 33.34 H new ATOM 0 HA VAL A 27 8.377 2.380 -10.467 1.00 14.11 H new ATOM 0 HB VAL A 27 7.380 1.146 -8.591 1.00 72.04 H new ATOM 0 HG11 VAL A 27 8.583 -0.985 -8.924 1.00 61.23 H new ATOM 0 HG12 VAL A 27 8.362 -0.102 -10.453 1.00 61.23 H new ATOM 0 HG13 VAL A 27 9.946 -0.094 -9.642 1.00 61.23 H new ATOM 0 HG21 VAL A 27 8.790 0.231 -6.795 1.00 75.10 H new ATOM 0 HG22 VAL A 27 10.170 1.174 -7.407 1.00 75.10 H new ATOM 0 HG23 VAL A 27 8.738 2.010 -6.762 1.00 75.10 H new ATOM 435 N ARG A 28 9.290 4.415 -8.160 1.00 22.33 N ATOM 436 CA ARG A 28 8.955 5.668 -7.485 1.00 33.33 C ATOM 437 C ARG A 28 8.147 6.575 -8.418 1.00 3.24 C ATOM 438 O ARG A 28 7.154 7.176 -8.005 1.00 0.22 O ATOM 439 CB ARG A 28 10.241 6.374 -7.037 1.00 12.25 C ATOM 440 CG ARG A 28 10.057 7.392 -5.919 1.00 35.23 C ATOM 441 CD ARG A 28 9.526 8.729 -6.418 1.00 1.35 C ATOM 442 NE ARG A 28 9.506 9.724 -5.349 1.00 43.12 N ATOM 443 CZ ARG A 28 9.835 11.006 -5.510 1.00 55.32 C ATOM 444 NH1 ARG A 28 10.142 11.480 -6.710 1.00 11.44 N ATOM 445 NH2 ARG A 28 9.842 11.813 -4.463 1.00 43.32 N ATOM 0 H ARG A 28 10.282 4.179 -8.137 1.00 22.33 H new ATOM 0 HA ARG A 28 8.347 5.448 -6.608 1.00 33.33 H new ATOM 0 HB2 ARG A 28 10.956 5.620 -6.708 1.00 12.25 H new ATOM 0 HB3 ARG A 28 10.681 6.877 -7.898 1.00 12.25 H new ATOM 0 HG2 ARG A 28 9.369 6.988 -5.176 1.00 35.23 H new ATOM 0 HG3 ARG A 28 11.012 7.550 -5.417 1.00 35.23 H new ATOM 0 HD2 ARG A 28 10.148 9.086 -7.239 1.00 1.35 H new ATOM 0 HD3 ARG A 28 8.519 8.598 -6.815 1.00 1.35 H new ATOM 0 HE ARG A 28 9.222 9.418 -4.418 1.00 43.12 H new ATOM 0 HH11 ARG A 28 10.128 10.862 -7.521 1.00 11.44 H new ATOM 0 HH12 ARG A 28 10.392 12.463 -6.822 1.00 11.44 H new ATOM 0 HH21 ARG A 28 9.597 11.454 -3.540 1.00 43.32 H new ATOM 0 HH22 ARG A 28 10.093 12.795 -4.578 1.00 43.32 H new ATOM 459 N ARG A 29 8.571 6.653 -9.677 1.00 45.31 N ATOM 460 CA ARG A 29 7.864 7.450 -10.673 1.00 53.21 C ATOM 461 C ARG A 29 6.536 6.803 -11.046 1.00 64.53 C ATOM 462 O ARG A 29 5.526 7.485 -11.171 1.00 1.32 O ATOM 463 CB ARG A 29 8.722 7.649 -11.924 1.00 61.54 C ATOM 464 CG ARG A 29 9.646 8.849 -11.834 1.00 24.41 C ATOM 465 CD ARG A 29 10.418 9.058 -13.125 1.00 64.23 C ATOM 466 NE ARG A 29 11.072 10.364 -13.155 1.00 33.14 N ATOM 467 CZ ARG A 29 12.273 10.596 -13.677 1.00 11.22 C ATOM 468 NH1 ARG A 29 12.968 9.618 -14.241 1.00 65.42 N ATOM 469 NH2 ARG A 29 12.776 11.821 -13.649 1.00 23.41 N ATOM 0 H ARG A 29 9.400 6.174 -10.030 1.00 45.31 H new ATOM 0 HA ARG A 29 7.662 8.426 -10.232 1.00 53.21 H new ATOM 0 HB2 ARG A 29 9.318 6.752 -12.094 1.00 61.54 H new ATOM 0 HB3 ARG A 29 8.069 7.766 -12.789 1.00 61.54 H new ATOM 0 HG2 ARG A 29 9.063 9.742 -11.610 1.00 24.41 H new ATOM 0 HG3 ARG A 29 10.345 8.709 -11.010 1.00 24.41 H new ATOM 0 HD2 ARG A 29 11.166 8.273 -13.233 1.00 64.23 H new ATOM 0 HD3 ARG A 29 9.740 8.971 -13.974 1.00 64.23 H new ATOM 0 HE ARG A 29 10.572 11.154 -12.747 1.00 33.14 H new ATOM 0 HH11 ARG A 29 12.583 8.674 -14.278 1.00 65.42 H new ATOM 0 HH12 ARG A 29 13.888 9.809 -14.638 1.00 65.42 H new ATOM 0 HH21 ARG A 29 12.243 12.582 -13.228 1.00 23.41 H new ATOM 0 HH22 ARG A 29 13.697 12.003 -14.048 1.00 23.41 H new ATOM 483 N LYS A 30 6.550 5.484 -11.200 1.00 75.33 N ATOM 484 CA LYS A 30 5.347 4.718 -11.535 1.00 34.03 C ATOM 485 C LYS A 30 4.223 5.005 -10.542 1.00 72.33 C ATOM 486 O LYS A 30 3.070 5.216 -10.923 1.00 4.32 O ATOM 487 CB LYS A 30 5.670 3.222 -11.513 1.00 54.34 C ATOM 488 CG LYS A 30 4.501 2.327 -11.888 1.00 15.25 C ATOM 489 CD LYS A 30 4.857 0.856 -11.727 1.00 33.53 C ATOM 490 CE LYS A 30 3.682 -0.045 -12.072 1.00 15.04 C ATOM 491 NZ LYS A 30 4.006 -1.485 -11.880 1.00 3.22 N ATOM 0 H LYS A 30 7.390 4.914 -11.098 1.00 75.33 H new ATOM 0 HA LYS A 30 5.017 5.015 -12.530 1.00 34.03 H new ATOM 0 HB2 LYS A 30 6.495 3.030 -12.199 1.00 54.34 H new ATOM 0 HB3 LYS A 30 6.015 2.951 -10.515 1.00 54.34 H new ATOM 0 HG2 LYS A 30 3.642 2.566 -11.262 1.00 15.25 H new ATOM 0 HG3 LYS A 30 4.208 2.522 -12.920 1.00 15.25 H new ATOM 0 HD2 LYS A 30 5.703 0.613 -12.370 1.00 33.53 H new ATOM 0 HD3 LYS A 30 5.172 0.667 -10.701 1.00 33.53 H new ATOM 0 HE2 LYS A 30 2.827 0.220 -11.450 1.00 15.04 H new ATOM 0 HE3 LYS A 30 3.387 0.125 -13.107 1.00 15.04 H new ATOM 0 HZ1 LYS A 30 3.443 -2.059 -12.540 1.00 3.22 H new ATOM 0 HZ2 LYS A 30 5.018 -1.641 -12.063 1.00 3.22 H new ATOM 0 HZ3 LYS A 30 3.784 -1.763 -10.903 1.00 3.22 H new ATOM 505 N ILE A 31 4.586 5.006 -9.271 1.00 45.14 N ATOM 506 CA ILE A 31 3.644 5.210 -8.179 1.00 64.11 C ATOM 507 C ILE A 31 3.044 6.622 -8.192 1.00 11.11 C ATOM 508 O ILE A 31 1.827 6.789 -8.080 1.00 62.12 O ATOM 509 CB ILE A 31 4.336 4.933 -6.828 1.00 35.21 C ATOM 510 CG1 ILE A 31 4.824 3.481 -6.790 1.00 32.22 C ATOM 511 CG2 ILE A 31 3.395 5.213 -5.668 1.00 10.15 C ATOM 512 CD1 ILE A 31 5.748 3.176 -5.633 1.00 41.22 C ATOM 0 H ILE A 31 5.548 4.865 -8.964 1.00 45.14 H new ATOM 0 HA ILE A 31 2.821 4.508 -8.316 1.00 64.11 H new ATOM 0 HB ILE A 31 5.192 5.600 -6.728 1.00 35.21 H new ATOM 0 HG12 ILE A 31 3.960 2.819 -6.737 1.00 32.22 H new ATOM 0 HG13 ILE A 31 5.340 3.257 -7.723 1.00 32.22 H new ATOM 0 HG21 ILE A 31 3.907 5.010 -4.727 1.00 10.15 H new ATOM 0 HG22 ILE A 31 3.085 6.258 -5.695 1.00 10.15 H new ATOM 0 HG23 ILE A 31 2.517 4.572 -5.749 1.00 10.15 H new ATOM 0 HD11 ILE A 31 6.050 2.130 -5.675 1.00 41.22 H new ATOM 0 HD12 ILE A 31 6.631 3.812 -5.695 1.00 41.22 H new ATOM 0 HD13 ILE A 31 5.230 3.367 -4.693 1.00 41.22 H new ATOM 524 N MET A 32 3.887 7.636 -8.351 1.00 72.21 N ATOM 525 CA MET A 32 3.409 9.017 -8.379 1.00 33.32 C ATOM 526 C MET A 32 2.690 9.323 -9.688 1.00 41.43 C ATOM 527 O MET A 32 1.775 10.148 -9.726 1.00 73.44 O ATOM 528 CB MET A 32 4.557 10.001 -8.142 1.00 63.30 C ATOM 529 CG MET A 32 4.970 10.090 -6.681 1.00 40.14 C ATOM 530 SD MET A 32 6.249 11.325 -6.382 1.00 43.43 S ATOM 531 CE MET A 32 6.338 11.279 -4.590 1.00 13.14 C ATOM 0 H MET A 32 4.896 7.532 -8.462 1.00 72.21 H new ATOM 0 HA MET A 32 2.691 9.137 -7.567 1.00 33.32 H new ATOM 0 HB2 MET A 32 5.417 9.698 -8.739 1.00 63.30 H new ATOM 0 HB3 MET A 32 4.259 10.990 -8.491 1.00 63.30 H new ATOM 0 HG2 MET A 32 4.095 10.328 -6.076 1.00 40.14 H new ATOM 0 HG3 MET A 32 5.330 9.115 -6.351 1.00 40.14 H new ATOM 0 HE1 MET A 32 6.846 12.173 -4.228 1.00 13.14 H new ATOM 0 HE2 MET A 32 5.330 11.241 -4.177 1.00 13.14 H new ATOM 0 HE3 MET A 32 6.892 10.395 -4.276 1.00 13.14 H new ATOM 541 N ASP A 33 3.091 8.642 -10.755 1.00 34.54 N ATOM 542 CA ASP A 33 2.404 8.746 -12.039 1.00 43.33 C ATOM 543 C ASP A 33 0.994 8.171 -11.928 1.00 73.41 C ATOM 544 O ASP A 33 0.075 8.590 -12.634 1.00 44.41 O ATOM 545 CB ASP A 33 3.190 8.003 -13.124 1.00 53.14 C ATOM 546 CG ASP A 33 2.503 8.022 -14.475 1.00 4.23 C ATOM 547 OD1 ASP A 33 1.711 7.095 -14.755 1.00 45.32 O ATOM 548 OD2 ASP A 33 2.768 8.943 -15.275 1.00 20.15 O ATOM 0 H ASP A 33 3.891 8.009 -10.757 1.00 34.54 H new ATOM 0 HA ASP A 33 2.336 9.798 -12.314 1.00 43.33 H new ATOM 0 HB2 ASP A 33 4.179 8.452 -13.220 1.00 53.14 H new ATOM 0 HB3 ASP A 33 3.338 6.969 -12.813 1.00 53.14 H new ATOM 553 N MET A 34 0.835 7.212 -11.023 1.00 70.11 N ATOM 554 CA MET A 34 -0.463 6.608 -10.754 1.00 74.40 C ATOM 555 C MET A 34 -1.324 7.537 -9.903 1.00 51.31 C ATOM 556 O MET A 34 -2.547 7.419 -9.877 1.00 63.41 O ATOM 557 CB MET A 34 -0.276 5.264 -10.051 1.00 75.02 C ATOM 558 CG MET A 34 -1.351 4.240 -10.386 1.00 31.15 C ATOM 559 SD MET A 34 -1.027 2.623 -9.655 1.00 54.34 S ATOM 560 CE MET A 34 0.536 2.210 -10.427 1.00 34.24 C ATOM 0 H MET A 34 1.596 6.834 -10.459 1.00 70.11 H new ATOM 0 HA MET A 34 -0.974 6.444 -11.702 1.00 74.40 H new ATOM 0 HB2 MET A 34 0.698 4.856 -10.321 1.00 75.02 H new ATOM 0 HB3 MET A 34 -0.266 5.427 -8.973 1.00 75.02 H new ATOM 0 HG2 MET A 34 -2.316 4.605 -10.036 1.00 31.15 H new ATOM 0 HG3 MET A 34 -1.423 4.137 -11.469 1.00 31.15 H new ATOM 0 HE1 MET A 34 0.655 1.127 -10.450 1.00 34.24 H new ATOM 0 HE2 MET A 34 0.553 2.599 -11.445 1.00 34.24 H new ATOM 0 HE3 MET A 34 1.352 2.653 -9.856 1.00 34.24 H new ATOM 570 N GLY A 35 -0.672 8.465 -9.212 1.00 14.13 N ATOM 571 CA GLY A 35 -1.394 9.435 -8.413 1.00 12.11 C ATOM 572 C GLY A 35 -1.263 9.187 -6.924 1.00 5.35 C ATOM 573 O GLY A 35 -2.025 9.737 -6.128 1.00 50.41 O ATOM 0 H GLY A 35 0.343 8.562 -9.191 1.00 14.13 H new ATOM 0 HA2 GLY A 35 -1.025 10.435 -8.644 1.00 12.11 H new ATOM 0 HA3 GLY A 35 -2.448 9.413 -8.689 1.00 12.11 H new ATOM 577 N ILE A 36 -0.298 8.361 -6.543 1.00 11.24 N ATOM 578 CA ILE A 36 -0.074 8.050 -5.139 1.00 3.11 C ATOM 579 C ILE A 36 1.024 8.938 -4.570 1.00 54.21 C ATOM 580 O ILE A 36 2.108 9.047 -5.143 1.00 54.45 O ATOM 581 CB ILE A 36 0.320 6.574 -4.944 1.00 41.10 C ATOM 582 CG1 ILE A 36 -0.633 5.671 -5.725 1.00 54.02 C ATOM 583 CG2 ILE A 36 0.310 6.212 -3.463 1.00 21.14 C ATOM 584 CD1 ILE A 36 -0.212 4.217 -5.762 1.00 74.35 C ATOM 0 H ILE A 36 0.342 7.895 -7.187 1.00 11.24 H new ATOM 0 HA ILE A 36 -1.010 8.234 -4.611 1.00 3.11 H new ATOM 0 HB ILE A 36 1.331 6.426 -5.324 1.00 41.10 H new ATOM 0 HG12 ILE A 36 -1.627 5.740 -5.283 1.00 54.02 H new ATOM 0 HG13 ILE A 36 -0.713 6.042 -6.747 1.00 54.02 H new ATOM 0 HG21 ILE A 36 0.591 5.166 -3.342 1.00 21.14 H new ATOM 0 HG22 ILE A 36 1.021 6.842 -2.930 1.00 21.14 H new ATOM 0 HG23 ILE A 36 -0.689 6.369 -3.057 1.00 21.14 H new ATOM 0 HD11 ILE A 36 -0.940 3.642 -6.335 1.00 74.35 H new ATOM 0 HD12 ILE A 36 0.768 4.134 -6.233 1.00 74.35 H new ATOM 0 HD13 ILE A 36 -0.161 3.827 -4.745 1.00 74.35 H new ATOM 596 N VAL A 37 0.733 9.568 -3.445 1.00 54.01 N ATOM 597 CA VAL A 37 1.684 10.470 -2.799 1.00 55.15 C ATOM 598 C VAL A 37 1.751 10.195 -1.300 1.00 10.14 C ATOM 599 O VAL A 37 1.086 9.284 -0.800 1.00 33.31 O ATOM 600 CB VAL A 37 1.321 11.956 -3.031 1.00 2.41 C ATOM 601 CG1 VAL A 37 1.463 12.324 -4.499 1.00 5.33 C ATOM 602 CG2 VAL A 37 -0.090 12.255 -2.541 1.00 61.25 C ATOM 0 H VAL A 37 -0.157 9.474 -2.955 1.00 54.01 H new ATOM 0 HA VAL A 37 2.658 10.281 -3.251 1.00 55.15 H new ATOM 0 HB VAL A 37 2.018 12.564 -2.455 1.00 2.41 H new ATOM 0 HG11 VAL A 37 1.203 13.373 -4.638 1.00 5.33 H new ATOM 0 HG12 VAL A 37 2.493 12.160 -4.817 1.00 5.33 H new ATOM 0 HG13 VAL A 37 0.796 11.702 -5.096 1.00 5.33 H new ATOM 0 HG21 VAL A 37 -0.321 13.306 -2.715 1.00 61.25 H new ATOM 0 HG22 VAL A 37 -0.803 11.632 -3.082 1.00 61.25 H new ATOM 0 HG23 VAL A 37 -0.158 12.041 -1.474 1.00 61.25 H new ATOM 612 N ARG A 38 2.550 10.976 -0.584 1.00 42.43 N ATOM 613 CA ARG A 38 2.668 10.820 0.861 1.00 50.34 C ATOM 614 C ARG A 38 1.362 11.213 1.543 1.00 52.12 C ATOM 615 O ARG A 38 0.716 12.182 1.149 1.00 63.52 O ATOM 616 CB ARG A 38 3.805 11.686 1.411 1.00 13.01 C ATOM 617 CG ARG A 38 4.051 11.482 2.899 1.00 1.42 C ATOM 618 CD ARG A 38 4.753 12.674 3.526 1.00 70.12 C ATOM 619 NE ARG A 38 6.082 12.908 2.970 1.00 33.11 N ATOM 620 CZ ARG A 38 6.920 13.838 3.425 1.00 41.00 C ATOM 621 NH1 ARG A 38 6.557 14.636 4.421 1.00 23.12 N ATOM 622 NH2 ARG A 38 8.119 13.974 2.878 1.00 33.13 N ATOM 0 H ARG A 38 3.124 11.721 -0.978 1.00 42.43 H new ATOM 0 HA ARG A 38 2.887 9.773 1.069 1.00 50.34 H new ATOM 0 HB2 ARG A 38 4.721 11.461 0.864 1.00 13.01 H new ATOM 0 HB3 ARG A 38 3.574 12.736 1.228 1.00 13.01 H new ATOM 0 HG2 ARG A 38 3.100 11.314 3.404 1.00 1.42 H new ATOM 0 HG3 ARG A 38 4.654 10.586 3.048 1.00 1.42 H new ATOM 0 HD2 ARG A 38 4.143 13.566 3.382 1.00 70.12 H new ATOM 0 HD3 ARG A 38 4.837 12.515 4.601 1.00 70.12 H new ATOM 0 HE ARG A 38 6.386 12.327 2.189 1.00 33.11 H new ATOM 0 HH11 ARG A 38 5.633 14.539 4.842 1.00 23.12 H new ATOM 0 HH12 ARG A 38 7.202 15.347 4.766 1.00 23.12 H new ATOM 0 HH21 ARG A 38 8.400 13.367 2.108 1.00 33.13 H new ATOM 0 HH22 ARG A 38 8.761 14.686 3.226 1.00 33.13 H new ATOM 636 N GLY A 39 0.974 10.451 2.552 1.00 12.50 N ATOM 637 CA GLY A 39 -0.203 10.782 3.328 1.00 12.12 C ATOM 638 C GLY A 39 -1.477 10.236 2.722 1.00 34.24 C ATOM 639 O GLY A 39 -2.558 10.404 3.289 1.00 10.13 O ATOM 0 H GLY A 39 1.456 9.603 2.850 1.00 12.50 H new ATOM 0 HA2 GLY A 39 -0.089 10.389 4.338 1.00 12.12 H new ATOM 0 HA3 GLY A 39 -0.283 11.866 3.415 1.00 12.12 H new ATOM 643 N THR A 40 -1.359 9.586 1.573 1.00 55.34 N ATOM 644 CA THR A 40 -2.502 8.927 0.973 1.00 15.51 C ATOM 645 C THR A 40 -2.793 7.644 1.732 1.00 35.10 C ATOM 646 O THR A 40 -1.880 6.871 2.031 1.00 71.22 O ATOM 647 CB THR A 40 -2.268 8.569 -0.502 1.00 50.31 C ATOM 648 OG1 THR A 40 -1.495 9.588 -1.142 1.00 31.43 O ATOM 649 CG2 THR A 40 -3.590 8.402 -1.239 1.00 2.41 C ATOM 0 H THR A 40 -0.491 9.503 1.044 1.00 55.34 H new ATOM 0 HA THR A 40 -3.339 9.623 1.025 1.00 15.51 H new ATOM 0 HB THR A 40 -1.725 7.624 -0.535 1.00 50.31 H new ATOM 0 HG1 THR A 40 -0.544 9.444 -0.954 1.00 31.43 H new ATOM 0 HG21 THR A 40 -3.396 8.149 -2.281 1.00 2.41 H new ATOM 0 HG22 THR A 40 -4.168 7.604 -0.773 1.00 2.41 H new ATOM 0 HG23 THR A 40 -4.154 9.334 -1.191 1.00 2.41 H new ATOM 657 N GLU A 41 -4.048 7.427 2.042 1.00 13.43 N ATOM 658 CA GLU A 41 -4.457 6.235 2.742 1.00 21.03 C ATOM 659 C GLU A 41 -5.129 5.278 1.782 1.00 22.11 C ATOM 660 O GLU A 41 -6.028 5.655 1.026 1.00 11.01 O ATOM 661 CB GLU A 41 -5.361 6.582 3.923 1.00 70.13 C ATOM 662 CG GLU A 41 -6.383 7.670 3.644 1.00 35.25 C ATOM 663 CD GLU A 41 -7.061 8.143 4.913 1.00 40.13 C ATOM 664 OE1 GLU A 41 -6.417 8.875 5.696 1.00 24.33 O ATOM 665 OE2 GLU A 41 -8.233 7.773 5.147 1.00 4.50 O ATOM 0 H GLU A 41 -4.810 8.067 1.818 1.00 13.43 H new ATOM 0 HA GLU A 41 -3.575 5.741 3.149 1.00 21.03 H new ATOM 0 HB2 GLU A 41 -5.887 5.681 4.237 1.00 70.13 H new ATOM 0 HB3 GLU A 41 -4.737 6.895 4.760 1.00 70.13 H new ATOM 0 HG2 GLU A 41 -5.893 8.513 3.158 1.00 35.25 H new ATOM 0 HG3 GLU A 41 -7.134 7.294 2.949 1.00 35.25 H new ATOM 672 N ILE A 42 -4.663 4.048 1.805 1.00 3.42 N ATOM 673 CA ILE A 42 -5.061 3.056 0.836 1.00 33.21 C ATOM 674 C ILE A 42 -5.758 1.894 1.518 1.00 2.14 C ATOM 675 O ILE A 42 -5.278 1.381 2.532 1.00 54.25 O ATOM 676 CB ILE A 42 -3.829 2.521 0.079 1.00 54.13 C ATOM 677 CG1 ILE A 42 -3.046 3.672 -0.560 1.00 5.04 C ATOM 678 CG2 ILE A 42 -4.255 1.513 -0.976 1.00 3.05 C ATOM 679 CD1 ILE A 42 -1.757 3.233 -1.224 1.00 43.52 C ATOM 0 H ILE A 42 -3.996 3.709 2.499 1.00 3.42 H new ATOM 0 HA ILE A 42 -5.747 3.530 0.134 1.00 33.21 H new ATOM 0 HB ILE A 42 -3.175 2.020 0.793 1.00 54.13 H new ATOM 0 HG12 ILE A 42 -3.677 4.163 -1.300 1.00 5.04 H new ATOM 0 HG13 ILE A 42 -2.817 4.413 0.205 1.00 5.04 H new ATOM 0 HG21 ILE A 42 -3.375 1.144 -1.503 1.00 3.05 H new ATOM 0 HG22 ILE A 42 -4.768 0.679 -0.496 1.00 3.05 H new ATOM 0 HG23 ILE A 42 -4.928 1.993 -1.686 1.00 3.05 H new ATOM 0 HD11 ILE A 42 -1.256 4.100 -1.655 1.00 43.52 H new ATOM 0 HD12 ILE A 42 -1.106 2.768 -0.483 1.00 43.52 H new ATOM 0 HD13 ILE A 42 -1.980 2.514 -2.012 1.00 43.52 H new ATOM 691 N TYR A 43 -6.888 1.485 0.974 1.00 63.24 N ATOM 692 CA TYR A 43 -7.580 0.323 1.485 1.00 1.41 C ATOM 693 C TYR A 43 -7.115 -0.908 0.721 1.00 41.43 C ATOM 694 O TYR A 43 -7.483 -1.107 -0.439 1.00 74.30 O ATOM 695 CB TYR A 43 -9.099 0.485 1.361 1.00 13.11 C ATOM 696 CG TYR A 43 -9.879 -0.410 2.303 1.00 20.03 C ATOM 697 CD1 TYR A 43 -10.097 -1.754 2.014 1.00 52.30 C ATOM 698 CD2 TYR A 43 -10.390 0.095 3.492 1.00 4.43 C ATOM 699 CE1 TYR A 43 -10.800 -2.565 2.885 1.00 53.33 C ATOM 700 CE2 TYR A 43 -11.095 -0.709 4.367 1.00 12.45 C ATOM 701 CZ TYR A 43 -11.296 -2.039 4.060 1.00 73.20 C ATOM 702 OH TYR A 43 -11.994 -2.842 4.932 1.00 75.12 O ATOM 0 H TYR A 43 -7.343 1.939 0.182 1.00 63.24 H new ATOM 0 HA TYR A 43 -7.346 0.209 2.544 1.00 1.41 H new ATOM 0 HB2 TYR A 43 -9.363 1.524 1.557 1.00 13.11 H new ATOM 0 HB3 TYR A 43 -9.397 0.268 0.335 1.00 13.11 H new ATOM 0 HD1 TYR A 43 -9.711 -2.170 1.095 1.00 52.30 H new ATOM 0 HD2 TYR A 43 -10.233 1.135 3.737 1.00 4.43 H new ATOM 0 HE1 TYR A 43 -10.960 -3.606 2.647 1.00 53.33 H new ATOM 0 HE2 TYR A 43 -11.487 -0.299 5.286 1.00 12.45 H new ATOM 0 HH TYR A 43 -11.380 -3.480 5.352 1.00 75.12 H new ATOM 712 N ILE A 44 -6.273 -1.709 1.356 1.00 32.11 N ATOM 713 CA ILE A 44 -5.781 -2.930 0.740 1.00 1.13 C ATOM 714 C ILE A 44 -6.886 -3.969 0.741 1.00 3.31 C ATOM 715 O ILE A 44 -7.123 -4.627 1.749 1.00 63.11 O ATOM 716 CB ILE A 44 -4.552 -3.507 1.483 1.00 54.44 C ATOM 717 CG1 ILE A 44 -3.487 -2.426 1.700 1.00 63.44 C ATOM 718 CG2 ILE A 44 -3.968 -4.687 0.715 1.00 61.35 C ATOM 719 CD1 ILE A 44 -2.981 -1.791 0.423 1.00 5.30 C ATOM 0 H ILE A 44 -5.917 -1.535 2.296 1.00 32.11 H new ATOM 0 HA ILE A 44 -5.474 -2.685 -0.277 1.00 1.13 H new ATOM 0 HB ILE A 44 -4.881 -3.860 2.460 1.00 54.44 H new ATOM 0 HG12 ILE A 44 -3.901 -1.647 2.341 1.00 63.44 H new ATOM 0 HG13 ILE A 44 -2.644 -2.864 2.234 1.00 63.44 H new ATOM 0 HG21 ILE A 44 -3.105 -5.080 1.252 1.00 61.35 H new ATOM 0 HG22 ILE A 44 -4.722 -5.468 0.620 1.00 61.35 H new ATOM 0 HG23 ILE A 44 -3.659 -4.358 -0.277 1.00 61.35 H new ATOM 0 HD11 ILE A 44 -2.231 -1.037 0.664 1.00 5.30 H new ATOM 0 HD12 ILE A 44 -2.535 -2.557 -0.212 1.00 5.30 H new ATOM 0 HD13 ILE A 44 -3.812 -1.321 -0.104 1.00 5.30 H new ATOM 731 N GLU A 45 -7.582 -4.088 -0.378 1.00 54.54 N ATOM 732 CA GLU A 45 -8.692 -5.021 -0.483 1.00 54.35 C ATOM 733 C GLU A 45 -8.196 -6.455 -0.395 1.00 74.30 C ATOM 734 O GLU A 45 -8.817 -7.299 0.247 1.00 21.14 O ATOM 735 CB GLU A 45 -9.452 -4.794 -1.787 1.00 32.00 C ATOM 736 CG GLU A 45 -10.144 -3.443 -1.841 1.00 65.21 C ATOM 737 CD GLU A 45 -10.896 -3.215 -3.131 1.00 2.54 C ATOM 738 OE1 GLU A 45 -11.878 -3.934 -3.392 1.00 3.33 O ATOM 739 OE2 GLU A 45 -10.535 -2.283 -3.874 1.00 10.34 O ATOM 0 H GLU A 45 -7.398 -3.551 -1.225 1.00 54.54 H new ATOM 0 HA GLU A 45 -9.373 -4.845 0.350 1.00 54.35 H new ATOM 0 HB2 GLU A 45 -8.759 -4.875 -2.624 1.00 32.00 H new ATOM 0 HB3 GLU A 45 -10.195 -5.582 -1.911 1.00 32.00 H new ATOM 0 HG2 GLU A 45 -10.837 -3.363 -1.004 1.00 65.21 H new ATOM 0 HG3 GLU A 45 -9.401 -2.655 -1.716 1.00 65.21 H new ATOM 746 N GLY A 46 -7.061 -6.718 -1.021 1.00 64.02 N ATOM 747 CA GLY A 46 -6.483 -8.039 -0.959 1.00 73.31 C ATOM 748 C GLY A 46 -5.330 -8.203 -1.919 1.00 15.34 C ATOM 749 O GLY A 46 -5.057 -7.318 -2.729 1.00 45.40 O ATOM 0 H GLY A 46 -6.531 -6.041 -1.570 1.00 64.02 H new ATOM 0 HA2 GLY A 46 -6.139 -8.236 0.056 1.00 73.31 H new ATOM 0 HA3 GLY A 46 -7.250 -8.780 -1.185 1.00 73.31 H new ATOM 753 N LYS A 47 -4.650 -9.329 -1.821 1.00 31.01 N ATOM 754 CA LYS A 47 -3.550 -9.642 -2.716 1.00 0.34 C ATOM 755 C LYS A 47 -3.964 -10.774 -3.647 1.00 70.21 C ATOM 756 O LYS A 47 -4.968 -11.440 -3.402 1.00 4.33 O ATOM 757 CB LYS A 47 -2.315 -10.048 -1.908 1.00 71.44 C ATOM 758 CG LYS A 47 -1.741 -8.923 -1.062 1.00 62.11 C ATOM 759 CD LYS A 47 -0.733 -9.433 -0.043 1.00 70.41 C ATOM 760 CE LYS A 47 -1.413 -10.254 1.044 1.00 21.30 C ATOM 761 NZ LYS A 47 -0.456 -10.713 2.089 1.00 71.32 N ATOM 0 H LYS A 47 -4.842 -10.049 -1.124 1.00 31.01 H new ATOM 0 HA LYS A 47 -3.303 -8.761 -3.308 1.00 0.34 H new ATOM 0 HB2 LYS A 47 -2.576 -10.883 -1.258 1.00 71.44 H new ATOM 0 HB3 LYS A 47 -1.545 -10.405 -2.592 1.00 71.44 H new ATOM 0 HG2 LYS A 47 -1.261 -8.190 -1.711 1.00 62.11 H new ATOM 0 HG3 LYS A 47 -2.551 -8.409 -0.545 1.00 62.11 H new ATOM 0 HD2 LYS A 47 0.019 -10.042 -0.545 1.00 70.41 H new ATOM 0 HD3 LYS A 47 -0.210 -8.590 0.408 1.00 70.41 H new ATOM 0 HE2 LYS A 47 -2.197 -9.657 1.510 1.00 21.30 H new ATOM 0 HE3 LYS A 47 -1.897 -11.120 0.593 1.00 21.30 H new ATOM 0 HZ1 LYS A 47 -0.965 -11.267 2.807 1.00 71.32 H new ATOM 0 HZ2 LYS A 47 0.279 -11.305 1.651 1.00 71.32 H new ATOM 0 HZ3 LYS A 47 -0.012 -9.888 2.540 1.00 71.32 H new ATOM 775 N ALA A 48 -3.209 -10.979 -4.713 1.00 74.11 N ATOM 776 CA ALA A 48 -3.443 -12.113 -5.596 1.00 34.32 C ATOM 777 C ALA A 48 -3.135 -13.417 -4.859 1.00 12.44 C ATOM 778 O ALA A 48 -2.507 -13.384 -3.801 1.00 40.25 O ATOM 779 CB ALA A 48 -2.590 -11.978 -6.849 1.00 42.43 C ATOM 0 H ALA A 48 -2.432 -10.379 -4.989 1.00 74.11 H new ATOM 0 HA ALA A 48 -4.491 -12.130 -5.897 1.00 34.32 H new ATOM 0 HB1 ALA A 48 -2.770 -12.830 -7.505 1.00 42.43 H new ATOM 0 HB2 ALA A 48 -2.852 -11.057 -7.370 1.00 42.43 H new ATOM 0 HB3 ALA A 48 -1.536 -11.951 -6.571 1.00 42.43 H new ATOM 785 N PRO A 49 -3.585 -14.574 -5.388 1.00 3.22 N ATOM 786 CA PRO A 49 -3.357 -15.885 -4.767 1.00 74.41 C ATOM 787 C PRO A 49 -1.935 -16.073 -4.230 1.00 63.23 C ATOM 788 O PRO A 49 -1.750 -16.475 -3.080 1.00 73.02 O ATOM 789 CB PRO A 49 -3.627 -16.855 -5.914 1.00 35.42 C ATOM 790 CG PRO A 49 -4.659 -16.173 -6.742 1.00 22.31 C ATOM 791 CD PRO A 49 -4.384 -14.695 -6.627 1.00 31.43 C ATOM 0 HA PRO A 49 -3.991 -16.028 -3.892 1.00 74.41 H new ATOM 0 HB2 PRO A 49 -2.722 -17.051 -6.489 1.00 35.42 H new ATOM 0 HB3 PRO A 49 -3.985 -17.816 -5.545 1.00 35.42 H new ATOM 0 HG2 PRO A 49 -4.603 -16.499 -7.780 1.00 22.31 H new ATOM 0 HG3 PRO A 49 -5.662 -16.411 -6.387 1.00 22.31 H new ATOM 0 HD2 PRO A 49 -3.836 -14.323 -7.493 1.00 31.43 H new ATOM 0 HD3 PRO A 49 -5.308 -14.121 -6.563 1.00 31.43 H new ATOM 799 N MET A 50 -0.940 -15.764 -5.051 1.00 73.12 N ATOM 800 CA MET A 50 0.453 -15.952 -4.661 1.00 3.44 C ATOM 801 C MET A 50 0.970 -14.746 -3.870 1.00 52.11 C ATOM 802 O MET A 50 2.045 -14.796 -3.272 1.00 74.21 O ATOM 803 CB MET A 50 1.319 -16.185 -5.902 1.00 51.45 C ATOM 804 CG MET A 50 2.743 -16.620 -5.589 1.00 52.21 C ATOM 805 SD MET A 50 3.710 -16.939 -7.075 1.00 61.12 S ATOM 806 CE MET A 50 5.268 -17.460 -6.363 1.00 63.44 C ATOM 0 H MET A 50 -1.070 -15.383 -5.988 1.00 73.12 H new ATOM 0 HA MET A 50 0.513 -16.829 -4.016 1.00 3.44 H new ATOM 0 HB2 MET A 50 0.846 -16.944 -6.525 1.00 51.45 H new ATOM 0 HB3 MET A 50 1.351 -15.267 -6.488 1.00 51.45 H new ATOM 0 HG2 MET A 50 3.234 -15.846 -4.999 1.00 52.21 H new ATOM 0 HG3 MET A 50 2.718 -17.521 -4.976 1.00 52.21 H new ATOM 0 HE1 MET A 50 5.973 -17.693 -7.161 1.00 63.44 H new ATOM 0 HE2 MET A 50 5.672 -16.658 -5.745 1.00 63.44 H new ATOM 0 HE3 MET A 50 5.109 -18.346 -5.749 1.00 63.44 H new ATOM 816 N GLY A 51 0.193 -13.669 -3.858 1.00 73.24 N ATOM 817 CA GLY A 51 0.580 -12.478 -3.123 1.00 42.33 C ATOM 818 C GLY A 51 1.044 -11.354 -4.029 1.00 21.02 C ATOM 819 O GLY A 51 1.457 -10.297 -3.554 1.00 3.14 O ATOM 0 H GLY A 51 -0.700 -13.599 -4.345 1.00 73.24 H new ATOM 0 HA2 GLY A 51 -0.265 -12.133 -2.528 1.00 42.33 H new ATOM 0 HA3 GLY A 51 1.379 -12.730 -2.426 1.00 42.33 H new ATOM 823 N ASP A 52 0.976 -11.585 -5.330 1.00 44.10 N ATOM 824 CA ASP A 52 1.399 -10.596 -6.314 1.00 53.13 C ATOM 825 C ASP A 52 0.617 -10.779 -7.609 1.00 23.44 C ATOM 826 O ASP A 52 0.554 -11.887 -8.144 1.00 61.03 O ATOM 827 CB ASP A 52 2.902 -10.726 -6.581 1.00 22.02 C ATOM 828 CG ASP A 52 3.373 -9.855 -7.728 1.00 12.24 C ATOM 829 OD1 ASP A 52 3.490 -8.627 -7.539 1.00 24.12 O ATOM 830 OD2 ASP A 52 3.638 -10.404 -8.821 1.00 54.31 O ATOM 0 H ASP A 52 0.629 -12.455 -5.734 1.00 44.10 H new ATOM 0 HA ASP A 52 1.199 -9.600 -5.920 1.00 53.13 H new ATOM 0 HB2 ASP A 52 3.451 -10.458 -5.678 1.00 22.02 H new ATOM 0 HB3 ASP A 52 3.138 -11.767 -6.801 1.00 22.02 H new ATOM 835 N PRO A 53 0.009 -9.704 -8.139 1.00 72.14 N ATOM 836 CA PRO A 53 0.103 -8.359 -7.565 1.00 13.20 C ATOM 837 C PRO A 53 -0.885 -8.125 -6.418 1.00 14.53 C ATOM 838 O PRO A 53 -1.473 -9.067 -5.885 1.00 34.43 O ATOM 839 CB PRO A 53 -0.240 -7.472 -8.760 1.00 55.01 C ATOM 840 CG PRO A 53 -1.209 -8.277 -9.554 1.00 2.22 C ATOM 841 CD PRO A 53 -0.827 -9.722 -9.356 1.00 21.42 C ATOM 0 HA PRO A 53 1.079 -8.166 -7.120 1.00 13.20 H new ATOM 0 HB2 PRO A 53 -0.677 -6.526 -8.440 1.00 55.01 H new ATOM 0 HB3 PRO A 53 0.648 -7.231 -9.344 1.00 55.01 H new ATOM 0 HG2 PRO A 53 -2.230 -8.096 -9.219 1.00 2.22 H new ATOM 0 HG3 PRO A 53 -1.167 -8.005 -10.609 1.00 2.22 H new ATOM 0 HD2 PRO A 53 -1.706 -10.354 -9.228 1.00 21.42 H new ATOM 0 HD3 PRO A 53 -0.277 -10.111 -10.213 1.00 21.42 H new ATOM 849 N ILE A 54 -1.063 -6.863 -6.047 1.00 64.33 N ATOM 850 CA ILE A 54 -1.953 -6.501 -4.951 1.00 62.30 C ATOM 851 C ILE A 54 -3.057 -5.564 -5.446 1.00 73.31 C ATOM 852 O ILE A 54 -2.838 -4.775 -6.367 1.00 53.32 O ATOM 853 CB ILE A 54 -1.166 -5.816 -3.806 1.00 72.44 C ATOM 854 CG1 ILE A 54 0.020 -6.688 -3.385 1.00 23.23 C ATOM 855 CG2 ILE A 54 -2.070 -5.546 -2.611 1.00 1.25 C ATOM 856 CD1 ILE A 54 0.891 -6.069 -2.312 1.00 72.55 C ATOM 0 H ILE A 54 -0.600 -6.070 -6.491 1.00 64.33 H new ATOM 0 HA ILE A 54 -2.404 -7.417 -4.569 1.00 62.30 H new ATOM 0 HB ILE A 54 -0.791 -4.861 -4.173 1.00 72.44 H new ATOM 0 HG12 ILE A 54 -0.356 -7.646 -3.025 1.00 23.23 H new ATOM 0 HG13 ILE A 54 0.634 -6.896 -4.261 1.00 23.23 H new ATOM 0 HG21 ILE A 54 -1.494 -5.065 -1.821 1.00 1.25 H new ATOM 0 HG22 ILE A 54 -2.888 -4.892 -2.914 1.00 1.25 H new ATOM 0 HG23 ILE A 54 -2.476 -6.488 -2.242 1.00 1.25 H new ATOM 0 HD11 ILE A 54 1.708 -6.749 -2.070 1.00 72.55 H new ATOM 0 HD12 ILE A 54 1.299 -5.125 -2.674 1.00 72.55 H new ATOM 0 HD13 ILE A 54 0.294 -5.887 -1.419 1.00 72.55 H new ATOM 868 N ALA A 55 -4.239 -5.667 -4.847 1.00 32.43 N ATOM 869 CA ALA A 55 -5.355 -4.793 -5.186 1.00 4.24 C ATOM 870 C ALA A 55 -5.532 -3.720 -4.117 1.00 51.31 C ATOM 871 O ALA A 55 -5.919 -4.015 -2.982 1.00 4.24 O ATOM 872 CB ALA A 55 -6.634 -5.601 -5.347 1.00 40.11 C ATOM 0 H ALA A 55 -4.449 -6.351 -4.120 1.00 32.43 H new ATOM 0 HA ALA A 55 -5.136 -4.303 -6.135 1.00 4.24 H new ATOM 0 HB1 ALA A 55 -7.457 -4.933 -5.600 1.00 40.11 H new ATOM 0 HB2 ALA A 55 -6.504 -6.334 -6.143 1.00 40.11 H new ATOM 0 HB3 ALA A 55 -6.859 -6.116 -4.413 1.00 40.11 H new ATOM 878 N LEU A 56 -5.243 -2.481 -4.480 1.00 51.04 N ATOM 879 CA LEU A 56 -5.285 -1.372 -3.537 1.00 44.03 C ATOM 880 C LEU A 56 -6.341 -0.369 -3.962 1.00 74.41 C ATOM 881 O LEU A 56 -6.351 0.070 -5.101 1.00 64.43 O ATOM 882 CB LEU A 56 -3.943 -0.634 -3.480 1.00 74.43 C ATOM 883 CG LEU A 56 -2.684 -1.477 -3.244 1.00 3.20 C ATOM 884 CD1 LEU A 56 -2.284 -2.235 -4.499 1.00 74.12 C ATOM 885 CD2 LEU A 56 -1.543 -0.584 -2.786 1.00 52.31 C ATOM 0 H LEU A 56 -4.975 -2.215 -5.428 1.00 51.04 H new ATOM 0 HA LEU A 56 -5.514 -1.791 -2.557 1.00 44.03 H new ATOM 0 HB2 LEU A 56 -3.816 -0.094 -4.418 1.00 74.43 H new ATOM 0 HB3 LEU A 56 -4.002 0.112 -2.688 1.00 74.43 H new ATOM 0 HG LEU A 56 -2.905 -2.209 -2.467 1.00 3.20 H new ATOM 0 HD11 LEU A 56 -1.388 -2.823 -4.299 1.00 74.12 H new ATOM 0 HD12 LEU A 56 -3.095 -2.899 -4.797 1.00 74.12 H new ATOM 0 HD13 LEU A 56 -2.081 -1.527 -5.303 1.00 74.12 H new ATOM 0 HD21 LEU A 56 -0.652 -1.189 -2.620 1.00 52.31 H new ATOM 0 HD22 LEU A 56 -1.337 0.164 -3.551 1.00 52.31 H new ATOM 0 HD23 LEU A 56 -1.821 -0.086 -1.857 1.00 52.31 H new ATOM 897 N ARG A 57 -7.204 0.020 -3.050 1.00 52.02 N ATOM 898 CA ARG A 57 -8.238 0.985 -3.374 1.00 33.20 C ATOM 899 C ARG A 57 -7.855 2.366 -2.860 1.00 60.45 C ATOM 900 O ARG A 57 -7.735 2.580 -1.652 1.00 23.00 O ATOM 901 CB ARG A 57 -9.584 0.561 -2.790 1.00 54.25 C ATOM 902 CG ARG A 57 -10.744 1.415 -3.273 1.00 51.13 C ATOM 903 CD ARG A 57 -12.057 0.991 -2.640 1.00 52.12 C ATOM 904 NE ARG A 57 -12.412 -0.387 -2.974 1.00 23.42 N ATOM 905 CZ ARG A 57 -13.650 -0.875 -2.899 1.00 1.24 C ATOM 906 NH1 ARG A 57 -14.662 -0.087 -2.554 1.00 10.04 N ATOM 907 NH2 ARG A 57 -13.881 -2.151 -3.180 1.00 42.22 N ATOM 0 H ARG A 57 -7.214 -0.312 -2.086 1.00 52.02 H new ATOM 0 HA ARG A 57 -8.333 1.026 -4.459 1.00 33.20 H new ATOM 0 HB2 ARG A 57 -9.774 -0.480 -3.052 1.00 54.25 H new ATOM 0 HB3 ARG A 57 -9.533 0.612 -1.702 1.00 54.25 H new ATOM 0 HG2 ARG A 57 -10.548 2.461 -3.038 1.00 51.13 H new ATOM 0 HG3 ARG A 57 -10.823 1.342 -4.358 1.00 51.13 H new ATOM 0 HD2 ARG A 57 -11.986 1.094 -1.557 1.00 52.12 H new ATOM 0 HD3 ARG A 57 -12.851 1.660 -2.972 1.00 52.12 H new ATOM 0 HE ARG A 57 -11.668 -1.012 -3.283 1.00 23.42 H new ATOM 0 HH11 ARG A 57 -14.494 0.897 -2.345 1.00 10.04 H new ATOM 0 HH12 ARG A 57 -15.607 -0.466 -2.498 1.00 10.04 H new ATOM 0 HH21 ARG A 57 -13.110 -2.760 -3.454 1.00 42.22 H new ATOM 0 HH22 ARG A 57 -14.829 -2.522 -3.122 1.00 42.22 H new ATOM 921 N LEU A 58 -7.653 3.292 -3.786 1.00 50.31 N ATOM 922 CA LEU A 58 -7.292 4.659 -3.448 1.00 53.02 C ATOM 923 C LEU A 58 -8.386 5.608 -3.909 1.00 50.30 C ATOM 924 O LEU A 58 -9.011 5.378 -4.945 1.00 55.12 O ATOM 925 CB LEU A 58 -5.973 5.075 -4.105 1.00 34.03 C ATOM 926 CG LEU A 58 -4.730 4.289 -3.684 1.00 11.43 C ATOM 927 CD1 LEU A 58 -4.624 2.983 -4.459 1.00 63.30 C ATOM 928 CD2 LEU A 58 -3.486 5.137 -3.888 1.00 51.32 C ATOM 0 H LEU A 58 -7.734 3.117 -4.788 1.00 50.31 H new ATOM 0 HA LEU A 58 -7.172 4.709 -2.366 1.00 53.02 H new ATOM 0 HB2 LEU A 58 -6.085 4.985 -5.185 1.00 34.03 H new ATOM 0 HB3 LEU A 58 -5.801 6.129 -3.889 1.00 34.03 H new ATOM 0 HG LEU A 58 -4.817 4.042 -2.626 1.00 11.43 H new ATOM 0 HD11 LEU A 58 -3.732 2.443 -4.141 1.00 63.30 H new ATOM 0 HD12 LEU A 58 -5.506 2.373 -4.266 1.00 63.30 H new ATOM 0 HD13 LEU A 58 -4.558 3.197 -5.526 1.00 63.30 H new ATOM 0 HD21 LEU A 58 -2.606 4.570 -3.586 1.00 51.32 H new ATOM 0 HD22 LEU A 58 -3.399 5.409 -4.940 1.00 51.32 H new ATOM 0 HD23 LEU A 58 -3.559 6.042 -3.285 1.00 51.32 H new ATOM 940 N ARG A 59 -8.596 6.675 -3.140 1.00 61.23 N ATOM 941 CA ARG A 59 -9.613 7.685 -3.442 1.00 73.20 C ATOM 942 C ARG A 59 -11.017 7.080 -3.379 1.00 4.00 C ATOM 943 O ARG A 59 -11.736 7.259 -2.395 1.00 74.31 O ATOM 944 CB ARG A 59 -9.359 8.323 -4.818 1.00 35.12 C ATOM 945 CG ARG A 59 -7.997 8.996 -4.946 1.00 75.33 C ATOM 946 CD ARG A 59 -7.750 9.488 -6.366 1.00 13.42 C ATOM 947 NE ARG A 59 -6.429 10.102 -6.528 1.00 71.23 N ATOM 948 CZ ARG A 59 -5.861 10.337 -7.711 1.00 0.32 C ATOM 949 NH1 ARG A 59 -6.487 9.986 -8.827 1.00 13.31 N ATOM 950 NH2 ARG A 59 -4.664 10.907 -7.769 1.00 55.21 N ATOM 0 H ARG A 59 -8.066 6.865 -2.289 1.00 61.23 H new ATOM 0 HA ARG A 59 -9.545 8.467 -2.686 1.00 73.20 H new ATOM 0 HB2 ARG A 59 -9.447 7.554 -5.586 1.00 35.12 H new ATOM 0 HB3 ARG A 59 -10.137 9.060 -5.015 1.00 35.12 H new ATOM 0 HG2 ARG A 59 -7.938 9.836 -4.253 1.00 75.33 H new ATOM 0 HG3 ARG A 59 -7.214 8.293 -4.662 1.00 75.33 H new ATOM 0 HD2 ARG A 59 -7.845 8.651 -7.058 1.00 13.42 H new ATOM 0 HD3 ARG A 59 -8.519 10.213 -6.634 1.00 13.42 H new ATOM 0 HE ARG A 59 -5.915 10.365 -5.687 1.00 71.23 H new ATOM 0 HH11 ARG A 59 -7.402 9.537 -8.779 1.00 13.31 H new ATOM 0 HH12 ARG A 59 -6.054 10.165 -9.733 1.00 13.31 H new ATOM 0 HH21 ARG A 59 -4.180 11.165 -6.909 1.00 55.21 H new ATOM 0 HH22 ARG A 59 -4.228 11.087 -8.673 1.00 55.21 H new ATOM 964 N GLY A 60 -11.395 6.356 -4.424 1.00 71.31 N ATOM 965 CA GLY A 60 -12.680 5.691 -4.454 1.00 42.10 C ATOM 966 C GLY A 60 -12.679 4.490 -5.382 1.00 51.03 C ATOM 967 O GLY A 60 -13.728 3.905 -5.651 1.00 3.25 O ATOM 0 H GLY A 60 -10.826 6.217 -5.259 1.00 71.31 H new ATOM 0 HA2 GLY A 60 -12.945 5.370 -3.447 1.00 42.10 H new ATOM 0 HA3 GLY A 60 -13.446 6.397 -4.776 1.00 42.10 H new ATOM 971 N TYR A 61 -11.496 4.108 -5.861 1.00 63.41 N ATOM 972 CA TYR A 61 -11.372 3.006 -6.807 1.00 52.41 C ATOM 973 C TYR A 61 -10.067 2.256 -6.606 1.00 55.11 C ATOM 974 O TYR A 61 -9.091 2.799 -6.093 1.00 53.35 O ATOM 975 CB TYR A 61 -11.480 3.502 -8.252 1.00 40.20 C ATOM 976 CG TYR A 61 -10.676 4.752 -8.547 1.00 11.14 C ATOM 977 CD1 TYR A 61 -11.166 6.013 -8.221 1.00 50.44 C ATOM 978 CD2 TYR A 61 -9.427 4.670 -9.152 1.00 22.42 C ATOM 979 CE1 TYR A 61 -10.435 7.152 -8.492 1.00 63.03 C ATOM 980 CE2 TYR A 61 -8.692 5.807 -9.425 1.00 54.23 C ATOM 981 CZ TYR A 61 -9.202 7.045 -9.092 1.00 23.00 C ATOM 982 OH TYR A 61 -8.475 8.178 -9.362 1.00 44.51 O ATOM 0 H TYR A 61 -10.611 4.547 -5.608 1.00 63.41 H new ATOM 0 HA TYR A 61 -12.197 2.319 -6.617 1.00 52.41 H new ATOM 0 HB2 TYR A 61 -11.151 2.707 -8.922 1.00 40.20 H new ATOM 0 HB3 TYR A 61 -12.528 3.697 -8.479 1.00 40.20 H new ATOM 0 HD1 TYR A 61 -12.133 6.102 -7.749 1.00 50.44 H new ATOM 0 HD2 TYR A 61 -9.025 3.702 -9.413 1.00 22.42 H new ATOM 0 HE1 TYR A 61 -10.830 8.124 -8.234 1.00 63.03 H new ATOM 0 HE2 TYR A 61 -7.724 5.727 -9.896 1.00 54.23 H new ATOM 0 HH TYR A 61 -9.057 8.964 -9.294 1.00 44.51 H new ATOM 992 N SER A 62 -10.066 1.004 -7.007 1.00 63.04 N ATOM 993 CA SER A 62 -8.933 0.127 -6.787 1.00 1.35 C ATOM 994 C SER A 62 -7.987 0.113 -7.980 1.00 0.40 C ATOM 995 O SER A 62 -8.409 0.197 -9.138 1.00 11.13 O ATOM 996 CB SER A 62 -9.429 -1.283 -6.488 1.00 43.43 C ATOM 997 OG SER A 62 -8.379 -2.146 -6.084 1.00 61.32 O ATOM 0 H SER A 62 -10.847 0.564 -7.494 1.00 63.04 H new ATOM 0 HA SER A 62 -8.372 0.507 -5.933 1.00 1.35 H new ATOM 0 HB2 SER A 62 -10.185 -1.242 -5.704 1.00 43.43 H new ATOM 0 HB3 SER A 62 -9.912 -1.692 -7.375 1.00 43.43 H new ATOM 0 HG SER A 62 -8.590 -2.530 -5.207 1.00 61.32 H new ATOM 1003 N LEU A 63 -6.709 0.009 -7.664 1.00 14.02 N ATOM 1004 CA LEU A 63 -5.635 -0.076 -8.647 1.00 32.42 C ATOM 1005 C LEU A 63 -4.777 -1.297 -8.332 1.00 3.04 C ATOM 1006 O LEU A 63 -4.729 -1.745 -7.184 1.00 60.44 O ATOM 1007 CB LEU A 63 -4.744 1.183 -8.630 1.00 45.55 C ATOM 1008 CG LEU A 63 -5.386 2.495 -9.106 1.00 11.13 C ATOM 1009 CD1 LEU A 63 -6.136 2.293 -10.413 1.00 40.10 C ATOM 1010 CD2 LEU A 63 -6.297 3.087 -8.036 1.00 33.43 C ATOM 0 H LEU A 63 -6.378 -0.020 -6.700 1.00 14.02 H new ATOM 0 HA LEU A 63 -6.083 -0.158 -9.637 1.00 32.42 H new ATOM 0 HB2 LEU A 63 -4.385 1.331 -7.611 1.00 45.55 H new ATOM 0 HB3 LEU A 63 -3.870 0.988 -9.251 1.00 45.55 H new ATOM 0 HG LEU A 63 -4.583 3.209 -9.287 1.00 11.13 H new ATOM 0 HD11 LEU A 63 -6.581 3.237 -10.727 1.00 40.10 H new ATOM 0 HD12 LEU A 63 -5.444 1.945 -11.180 1.00 40.10 H new ATOM 0 HD13 LEU A 63 -6.922 1.552 -10.271 1.00 40.10 H new ATOM 0 HD21 LEU A 63 -6.736 4.015 -8.404 1.00 33.43 H new ATOM 0 HD22 LEU A 63 -7.091 2.378 -7.801 1.00 33.43 H new ATOM 0 HD23 LEU A 63 -5.716 3.292 -7.137 1.00 33.43 H new ATOM 1022 N SER A 64 -4.106 -1.838 -9.334 1.00 52.34 N ATOM 1023 CA SER A 64 -3.290 -3.014 -9.142 1.00 61.42 C ATOM 1024 C SER A 64 -1.811 -2.730 -9.399 1.00 51.43 C ATOM 1025 O SER A 64 -1.411 -2.423 -10.521 1.00 74.44 O ATOM 1026 CB SER A 64 -3.793 -4.124 -10.057 1.00 53.53 C ATOM 1027 OG SER A 64 -4.238 -3.608 -11.303 1.00 30.03 O ATOM 0 H SER A 64 -4.113 -1.478 -10.288 1.00 52.34 H new ATOM 0 HA SER A 64 -3.374 -3.328 -8.102 1.00 61.42 H new ATOM 0 HB2 SER A 64 -2.996 -4.848 -10.225 1.00 53.53 H new ATOM 0 HB3 SER A 64 -4.610 -4.657 -9.570 1.00 53.53 H new ATOM 0 HG SER A 64 -4.553 -4.344 -11.868 1.00 30.03 H new ATOM 1033 N LEU A 65 -1.009 -2.832 -8.348 1.00 4.20 N ATOM 1034 CA LEU A 65 0.435 -2.706 -8.468 1.00 3.21 C ATOM 1035 C LEU A 65 1.100 -3.968 -7.940 1.00 42.40 C ATOM 1036 O LEU A 65 0.447 -4.788 -7.292 1.00 61.02 O ATOM 1037 CB LEU A 65 0.946 -1.448 -7.742 1.00 2.13 C ATOM 1038 CG LEU A 65 0.489 -1.255 -6.289 1.00 64.01 C ATOM 1039 CD1 LEU A 65 1.270 -2.144 -5.331 1.00 42.42 C ATOM 1040 CD2 LEU A 65 0.627 0.208 -5.888 1.00 24.15 C ATOM 0 H LEU A 65 -1.338 -3.003 -7.398 1.00 4.20 H new ATOM 0 HA LEU A 65 0.696 -2.590 -9.520 1.00 3.21 H new ATOM 0 HB2 LEU A 65 2.036 -1.467 -7.756 1.00 2.13 H new ATOM 0 HB3 LEU A 65 0.635 -0.575 -8.315 1.00 2.13 H new ATOM 0 HG LEU A 65 -0.559 -1.547 -6.226 1.00 64.01 H new ATOM 0 HD11 LEU A 65 0.918 -1.979 -4.313 1.00 42.42 H new ATOM 0 HD12 LEU A 65 1.121 -3.189 -5.601 1.00 42.42 H new ATOM 0 HD13 LEU A 65 2.331 -1.901 -5.392 1.00 42.42 H new ATOM 0 HD21 LEU A 65 0.300 0.335 -4.856 1.00 24.15 H new ATOM 0 HD22 LEU A 65 1.669 0.513 -5.979 1.00 24.15 H new ATOM 0 HD23 LEU A 65 0.010 0.824 -6.542 1.00 24.15 H new ATOM 1052 N ARG A 66 2.385 -4.133 -8.209 1.00 72.23 N ATOM 1053 CA ARG A 66 3.070 -5.365 -7.855 1.00 43.02 C ATOM 1054 C ARG A 66 3.597 -5.342 -6.429 1.00 21.33 C ATOM 1055 O ARG A 66 3.722 -4.286 -5.805 1.00 33.53 O ATOM 1056 CB ARG A 66 4.214 -5.644 -8.813 1.00 24.13 C ATOM 1057 CG ARG A 66 3.738 -6.052 -10.187 1.00 32.03 C ATOM 1058 CD ARG A 66 4.715 -7.006 -10.831 1.00 45.24 C ATOM 1059 NE ARG A 66 6.043 -6.418 -10.971 1.00 52.40 N ATOM 1060 CZ ARG A 66 7.170 -7.126 -11.026 1.00 60.34 C ATOM 1061 NH1 ARG A 66 7.131 -8.454 -10.982 1.00 34.44 N ATOM 1062 NH2 ARG A 66 8.332 -6.500 -11.135 1.00 3.03 N ATOM 0 H ARG A 66 2.971 -3.435 -8.668 1.00 72.23 H new ATOM 0 HA ARG A 66 2.331 -6.163 -7.929 1.00 43.02 H new ATOM 0 HB2 ARG A 66 4.836 -4.753 -8.898 1.00 24.13 H new ATOM 0 HB3 ARG A 66 4.843 -6.434 -8.401 1.00 24.13 H new ATOM 0 HG2 ARG A 66 2.758 -6.523 -10.112 1.00 32.03 H new ATOM 0 HG3 ARG A 66 3.620 -5.168 -10.813 1.00 32.03 H new ATOM 0 HD2 ARG A 66 4.782 -7.915 -10.233 1.00 45.24 H new ATOM 0 HD3 ARG A 66 4.343 -7.298 -11.813 1.00 45.24 H new ATOM 0 HE ARG A 66 6.113 -5.402 -11.030 1.00 52.40 H new ATOM 0 HH11 ARG A 66 6.235 -8.936 -10.906 1.00 34.44 H new ATOM 0 HH12 ARG A 66 7.997 -8.991 -11.024 1.00 34.44 H new ATOM 0 HH21 ARG A 66 8.361 -5.481 -11.176 1.00 3.03 H new ATOM 0 HH22 ARG A 66 9.198 -7.037 -11.178 1.00 3.03 H new ATOM 1076 N LYS A 67 3.928 -6.527 -5.936 1.00 52.33 N ATOM 1077 CA LYS A 67 4.477 -6.697 -4.597 1.00 14.41 C ATOM 1078 C LYS A 67 5.841 -6.011 -4.492 1.00 14.23 C ATOM 1079 O LYS A 67 6.301 -5.675 -3.399 1.00 0.23 O ATOM 1080 CB LYS A 67 4.573 -8.200 -4.285 1.00 51.21 C ATOM 1081 CG LYS A 67 4.956 -8.545 -2.851 1.00 22.32 C ATOM 1082 CD LYS A 67 6.452 -8.783 -2.709 1.00 54.12 C ATOM 1083 CE LYS A 67 6.787 -9.485 -1.402 1.00 52.41 C ATOM 1084 NZ LYS A 67 6.059 -10.776 -1.268 1.00 72.23 N ATOM 0 H LYS A 67 3.823 -7.400 -6.454 1.00 52.33 H new ATOM 0 HA LYS A 67 3.822 -6.229 -3.862 1.00 14.41 H new ATOM 0 HB2 LYS A 67 3.612 -8.663 -4.508 1.00 51.21 H new ATOM 0 HB3 LYS A 67 5.305 -8.648 -4.957 1.00 51.21 H new ATOM 0 HG2 LYS A 67 4.652 -7.735 -2.188 1.00 22.32 H new ATOM 0 HG3 LYS A 67 4.414 -9.436 -2.534 1.00 22.32 H new ATOM 0 HD2 LYS A 67 6.806 -9.384 -3.546 1.00 54.12 H new ATOM 0 HD3 LYS A 67 6.978 -7.830 -2.756 1.00 54.12 H new ATOM 0 HE2 LYS A 67 7.861 -9.666 -1.351 1.00 52.41 H new ATOM 0 HE3 LYS A 67 6.533 -8.835 -0.564 1.00 52.41 H new ATOM 0 HZ1 LYS A 67 6.578 -11.402 -0.619 1.00 72.23 H new ATOM 0 HZ2 LYS A 67 5.106 -10.600 -0.890 1.00 72.23 H new ATOM 0 HZ3 LYS A 67 5.983 -11.230 -2.200 1.00 72.23 H new ATOM 1098 N SER A 68 6.473 -5.786 -5.640 1.00 54.35 N ATOM 1099 CA SER A 68 7.742 -5.080 -5.690 1.00 63.02 C ATOM 1100 C SER A 68 7.553 -3.603 -5.331 1.00 30.10 C ATOM 1101 O SER A 68 8.249 -3.078 -4.462 1.00 53.23 O ATOM 1102 CB SER A 68 8.367 -5.224 -7.076 1.00 61.12 C ATOM 1103 OG SER A 68 8.555 -6.595 -7.401 1.00 52.23 O ATOM 0 H SER A 68 6.122 -6.085 -6.550 1.00 54.35 H new ATOM 0 HA SER A 68 8.417 -5.521 -4.956 1.00 63.02 H new ATOM 0 HB2 SER A 68 7.725 -4.753 -7.821 1.00 61.12 H new ATOM 0 HB3 SER A 68 9.324 -4.703 -7.105 1.00 61.12 H new ATOM 0 HG SER A 68 8.955 -6.668 -8.293 1.00 52.23 H new ATOM 1109 N GLU A 69 6.600 -2.941 -5.985 1.00 53.14 N ATOM 1110 CA GLU A 69 6.282 -1.550 -5.664 1.00 20.11 C ATOM 1111 C GLU A 69 5.819 -1.443 -4.215 1.00 54.11 C ATOM 1112 O GLU A 69 6.127 -0.479 -3.515 1.00 12.42 O ATOM 1113 CB GLU A 69 5.187 -0.998 -6.587 1.00 25.25 C ATOM 1114 CG GLU A 69 5.582 -0.904 -8.053 1.00 51.25 C ATOM 1115 CD GLU A 69 5.401 -2.208 -8.802 1.00 54.13 C ATOM 1116 OE1 GLU A 69 6.321 -3.051 -8.782 1.00 22.30 O ATOM 1117 OE2 GLU A 69 4.333 -2.388 -9.425 1.00 33.32 O ATOM 0 H GLU A 69 6.038 -3.342 -6.736 1.00 53.14 H new ATOM 0 HA GLU A 69 7.187 -0.960 -5.810 1.00 20.11 H new ATOM 0 HB2 GLU A 69 4.305 -1.632 -6.502 1.00 25.25 H new ATOM 0 HB3 GLU A 69 4.901 -0.006 -6.237 1.00 25.25 H new ATOM 0 HG2 GLU A 69 4.985 -0.129 -8.535 1.00 51.25 H new ATOM 0 HG3 GLU A 69 6.624 -0.593 -8.123 1.00 51.25 H new ATOM 1124 N ALA A 70 5.091 -2.459 -3.776 1.00 75.51 N ATOM 1125 CA ALA A 70 4.574 -2.519 -2.420 1.00 32.42 C ATOM 1126 C ALA A 70 5.697 -2.614 -1.386 1.00 40.01 C ATOM 1127 O ALA A 70 5.503 -2.303 -0.213 1.00 2.42 O ATOM 1128 CB ALA A 70 3.623 -3.695 -2.284 1.00 74.42 C ATOM 0 H ALA A 70 4.843 -3.264 -4.351 1.00 75.51 H new ATOM 0 HA ALA A 70 4.034 -1.593 -2.224 1.00 32.42 H new ATOM 0 HB1 ALA A 70 3.238 -3.736 -1.265 1.00 74.42 H new ATOM 0 HB2 ALA A 70 2.794 -3.575 -2.981 1.00 74.42 H new ATOM 0 HB3 ALA A 70 4.154 -4.620 -2.508 1.00 74.42 H new ATOM 1134 N LYS A 71 6.867 -3.066 -1.816 1.00 1.11 N ATOM 1135 CA LYS A 71 8.008 -3.181 -0.918 1.00 74.34 C ATOM 1136 C LYS A 71 8.740 -1.846 -0.809 1.00 34.02 C ATOM 1137 O LYS A 71 9.438 -1.579 0.173 1.00 32.20 O ATOM 1138 CB LYS A 71 8.957 -4.277 -1.409 1.00 32.31 C ATOM 1139 CG LYS A 71 10.126 -4.544 -0.475 1.00 71.04 C ATOM 1140 CD LYS A 71 10.992 -5.676 -0.990 1.00 41.41 C ATOM 1141 CE LYS A 71 12.198 -5.909 -0.102 1.00 71.31 C ATOM 1142 NZ LYS A 71 13.042 -7.020 -0.613 1.00 32.15 N ATOM 0 H LYS A 71 7.051 -3.358 -2.776 1.00 1.11 H new ATOM 0 HA LYS A 71 7.646 -3.453 0.073 1.00 74.34 H new ATOM 0 HB2 LYS A 71 8.393 -5.200 -1.542 1.00 32.31 H new ATOM 0 HB3 LYS A 71 9.344 -3.997 -2.389 1.00 32.31 H new ATOM 0 HG2 LYS A 71 10.727 -3.640 -0.373 1.00 71.04 H new ATOM 0 HG3 LYS A 71 9.752 -4.792 0.518 1.00 71.04 H new ATOM 0 HD2 LYS A 71 10.400 -6.590 -1.047 1.00 41.41 H new ATOM 0 HD3 LYS A 71 11.325 -5.448 -2.003 1.00 41.41 H new ATOM 0 HE2 LYS A 71 12.791 -4.996 -0.045 1.00 71.31 H new ATOM 0 HE3 LYS A 71 11.867 -6.138 0.911 1.00 71.31 H new ATOM 0 HZ1 LYS A 71 13.859 -7.154 0.017 1.00 32.15 H new ATOM 0 HZ2 LYS A 71 12.482 -7.896 -0.644 1.00 32.15 H new ATOM 0 HZ3 LYS A 71 13.377 -6.789 -1.570 1.00 32.15 H new ATOM 1156 N ASP A 72 8.566 -1.008 -1.818 1.00 41.42 N ATOM 1157 CA ASP A 72 9.201 0.304 -1.856 1.00 70.22 C ATOM 1158 C ASP A 72 8.345 1.343 -1.145 1.00 24.01 C ATOM 1159 O ASP A 72 8.806 2.444 -0.840 1.00 15.33 O ATOM 1160 CB ASP A 72 9.454 0.728 -3.305 1.00 52.25 C ATOM 1161 CG ASP A 72 10.631 0.003 -3.941 1.00 41.14 C ATOM 1162 OD1 ASP A 72 10.896 -1.168 -3.582 1.00 72.10 O ATOM 1163 OD2 ASP A 72 11.314 0.610 -4.798 1.00 15.14 O ATOM 0 H ASP A 72 7.985 -1.214 -2.630 1.00 41.42 H new ATOM 0 HA ASP A 72 10.156 0.236 -1.336 1.00 70.22 H new ATOM 0 HB2 ASP A 72 8.557 0.539 -3.895 1.00 52.25 H new ATOM 0 HB3 ASP A 72 9.636 1.802 -3.337 1.00 52.25 H new ATOM 1168 N ILE A 73 7.095 0.990 -0.885 1.00 22.44 N ATOM 1169 CA ILE A 73 6.190 1.871 -0.166 1.00 62.24 C ATOM 1170 C ILE A 73 6.168 1.520 1.319 1.00 51.33 C ATOM 1171 O ILE A 73 5.876 0.383 1.695 1.00 14.23 O ATOM 1172 CB ILE A 73 4.755 1.796 -0.738 1.00 23.03 C ATOM 1173 CG1 ILE A 73 4.723 2.319 -2.176 1.00 34.43 C ATOM 1174 CG2 ILE A 73 3.787 2.587 0.131 1.00 41.14 C ATOM 1175 CD1 ILE A 73 5.122 3.775 -2.302 1.00 52.52 C ATOM 0 H ILE A 73 6.685 0.098 -1.162 1.00 22.44 H new ATOM 0 HA ILE A 73 6.558 2.889 -0.291 1.00 62.24 H new ATOM 0 HB ILE A 73 4.444 0.751 -0.739 1.00 23.03 H new ATOM 0 HG12 ILE A 73 5.391 1.714 -2.789 1.00 34.43 H new ATOM 0 HG13 ILE A 73 3.718 2.190 -2.578 1.00 34.43 H new ATOM 0 HG21 ILE A 73 2.783 2.521 -0.289 1.00 41.14 H new ATOM 0 HG22 ILE A 73 3.785 2.176 1.141 1.00 41.14 H new ATOM 0 HG23 ILE A 73 4.098 3.631 0.165 1.00 41.14 H new ATOM 0 HD11 ILE A 73 5.076 4.076 -3.349 1.00 52.52 H new ATOM 0 HD12 ILE A 73 4.439 4.391 -1.717 1.00 52.52 H new ATOM 0 HD13 ILE A 73 6.138 3.907 -1.931 1.00 52.52 H new ATOM 1187 N LEU A 74 6.490 2.498 2.153 1.00 2.20 N ATOM 1188 CA LEU A 74 6.473 2.312 3.592 1.00 2.14 C ATOM 1189 C LEU A 74 5.198 2.907 4.176 1.00 2.12 C ATOM 1190 O LEU A 74 4.985 4.123 4.124 1.00 22.02 O ATOM 1191 CB LEU A 74 7.696 2.975 4.230 1.00 41.55 C ATOM 1192 CG LEU A 74 9.045 2.385 3.817 1.00 60.04 C ATOM 1193 CD1 LEU A 74 10.180 3.133 4.494 1.00 1.42 C ATOM 1194 CD2 LEU A 74 9.106 0.904 4.159 1.00 53.20 C ATOM 0 H LEU A 74 6.767 3.433 1.853 1.00 2.20 H new ATOM 0 HA LEU A 74 6.502 1.244 3.807 1.00 2.14 H new ATOM 0 HB2 LEU A 74 7.688 4.035 3.977 1.00 41.55 H new ATOM 0 HB3 LEU A 74 7.603 2.905 5.314 1.00 41.55 H new ATOM 0 HG LEU A 74 9.154 2.494 2.738 1.00 60.04 H new ATOM 0 HD11 LEU A 74 11.133 2.701 4.190 1.00 1.42 H new ATOM 0 HD12 LEU A 74 10.148 4.183 4.203 1.00 1.42 H new ATOM 0 HD13 LEU A 74 10.074 3.053 5.576 1.00 1.42 H new ATOM 0 HD21 LEU A 74 10.073 0.501 3.858 1.00 53.20 H new ATOM 0 HD22 LEU A 74 8.977 0.773 5.233 1.00 53.20 H new ATOM 0 HD23 LEU A 74 8.312 0.376 3.631 1.00 53.20 H new ATOM 1206 N VAL A 75 4.360 2.053 4.728 1.00 31.41 N ATOM 1207 CA VAL A 75 3.064 2.468 5.236 1.00 31.02 C ATOM 1208 C VAL A 75 2.948 2.206 6.730 1.00 64.24 C ATOM 1209 O VAL A 75 3.707 1.419 7.296 1.00 73.10 O ATOM 1210 CB VAL A 75 1.915 1.731 4.513 1.00 60.41 C ATOM 1211 CG1 VAL A 75 1.844 2.140 3.050 1.00 31.42 C ATOM 1212 CG2 VAL A 75 2.082 0.224 4.639 1.00 73.04 C ATOM 0 H VAL A 75 4.554 1.058 4.838 1.00 31.41 H new ATOM 0 HA VAL A 75 2.981 3.538 5.048 1.00 31.02 H new ATOM 0 HB VAL A 75 0.977 2.015 4.991 1.00 60.41 H new ATOM 0 HG11 VAL A 75 1.027 1.608 2.563 1.00 31.42 H new ATOM 0 HG12 VAL A 75 1.670 3.214 2.980 1.00 31.42 H new ATOM 0 HG13 VAL A 75 2.784 1.892 2.557 1.00 31.42 H new ATOM 0 HG21 VAL A 75 1.263 -0.277 4.123 1.00 73.04 H new ATOM 0 HG22 VAL A 75 3.030 -0.076 4.192 1.00 73.04 H new ATOM 0 HG23 VAL A 75 2.073 -0.056 5.692 1.00 73.04 H new ATOM 1222 N GLU A 76 1.999 2.880 7.359 1.00 10.53 N ATOM 1223 CA GLU A 76 1.691 2.639 8.755 1.00 43.14 C ATOM 1224 C GLU A 76 0.249 2.167 8.878 1.00 51.42 C ATOM 1225 O GLU A 76 -0.620 2.588 8.105 1.00 53.11 O ATOM 1226 CB GLU A 76 1.929 3.900 9.596 1.00 12.32 C ATOM 1227 CG GLU A 76 1.702 3.698 11.086 1.00 63.04 C ATOM 1228 CD GLU A 76 2.580 2.608 11.672 1.00 65.33 C ATOM 1229 OE1 GLU A 76 2.361 1.420 11.338 1.00 14.54 O ATOM 1230 OE2 GLU A 76 3.474 2.927 12.485 1.00 55.34 O ATOM 0 H GLU A 76 1.427 3.602 6.920 1.00 10.53 H new ATOM 0 HA GLU A 76 2.354 1.863 9.137 1.00 43.14 H new ATOM 0 HB2 GLU A 76 2.951 4.243 9.437 1.00 12.32 H new ATOM 0 HB3 GLU A 76 1.268 4.691 9.242 1.00 12.32 H new ATOM 0 HG2 GLU A 76 1.896 4.635 11.609 1.00 63.04 H new ATOM 0 HG3 GLU A 76 0.655 3.447 11.259 1.00 63.04 H new ATOM 1237 N VAL A 77 0.013 1.284 9.833 1.00 4.42 N ATOM 1238 CA VAL A 77 -1.295 0.683 10.027 1.00 61.03 C ATOM 1239 C VAL A 77 -2.271 1.701 10.615 1.00 11.52 C ATOM 1240 O VAL A 77 -2.023 2.271 11.673 1.00 40.00 O ATOM 1241 CB VAL A 77 -1.208 -0.552 10.950 1.00 34.23 C ATOM 1242 CG1 VAL A 77 -2.553 -1.252 11.050 1.00 64.04 C ATOM 1243 CG2 VAL A 77 -0.138 -1.519 10.456 1.00 43.21 C ATOM 0 H VAL A 77 0.721 0.964 10.494 1.00 4.42 H new ATOM 0 HA VAL A 77 -1.660 0.361 9.052 1.00 61.03 H new ATOM 0 HB VAL A 77 -0.929 -0.208 11.946 1.00 34.23 H new ATOM 0 HG11 VAL A 77 -2.464 -2.118 11.706 1.00 64.04 H new ATOM 0 HG12 VAL A 77 -3.293 -0.563 11.457 1.00 64.04 H new ATOM 0 HG13 VAL A 77 -2.868 -1.578 10.059 1.00 64.04 H new ATOM 0 HG21 VAL A 77 -0.093 -2.382 11.120 1.00 43.21 H new ATOM 0 HG22 VAL A 77 -0.385 -1.850 9.447 1.00 43.21 H new ATOM 0 HG23 VAL A 77 0.830 -1.017 10.447 1.00 43.21 H new ATOM 1253 N LEU A 78 -3.380 1.921 9.916 1.00 75.23 N ATOM 1254 CA LEU A 78 -4.375 2.904 10.344 1.00 72.22 C ATOM 1255 C LEU A 78 -5.354 2.310 11.346 1.00 72.54 C ATOM 1256 O LEU A 78 -6.268 2.989 11.817 1.00 32.41 O ATOM 1257 CB LEU A 78 -5.149 3.433 9.144 1.00 15.41 C ATOM 1258 CG LEU A 78 -4.343 4.286 8.165 1.00 35.31 C ATOM 1259 CD1 LEU A 78 -5.219 4.724 7.004 1.00 33.40 C ATOM 1260 CD2 LEU A 78 -3.752 5.497 8.871 1.00 32.11 C ATOM 0 H LEU A 78 -3.614 1.433 9.051 1.00 75.23 H new ATOM 0 HA LEU A 78 -3.837 3.720 10.826 1.00 72.22 H new ATOM 0 HB2 LEU A 78 -5.567 2.585 8.601 1.00 15.41 H new ATOM 0 HB3 LEU A 78 -5.989 4.025 9.508 1.00 15.41 H new ATOM 0 HG LEU A 78 -3.523 3.683 7.775 1.00 35.31 H new ATOM 0 HD11 LEU A 78 -4.632 5.331 6.314 1.00 33.40 H new ATOM 0 HD12 LEU A 78 -5.598 3.845 6.482 1.00 33.40 H new ATOM 0 HD13 LEU A 78 -6.057 5.311 7.381 1.00 33.40 H new ATOM 0 HD21 LEU A 78 -3.182 6.092 8.157 1.00 32.11 H new ATOM 0 HD22 LEU A 78 -4.556 6.103 9.288 1.00 32.11 H new ATOM 0 HD23 LEU A 78 -3.094 5.165 9.674 1.00 32.11 H new