USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 837 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 3 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.167) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0.579 (180deg=0.187) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.13) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.0052 (180deg=-0.279) USER MOD Single : A 28 SER OG : rot 33:sc= 0.0789 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= -0.0467 (180deg=-0.453) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -1.18 (180deg=-2.81!) USER MOD Single : A 43 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.027) USER MOD Single : A 44 SER OG : rot 92:sc= 0.853 USER MOD Single : A 46 SER OG : rot 94:sc= 0.0355 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -78:sc= 0.509 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.633 USER MOD Single : A 76 THR OG1 : rot 120:sc= 0.417 USER MOD Single : A 78 GLN : amide:sc= -2.15 X(o=-2.1,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.0401 (180deg=-0.349) USER MOD Single : A 84 GLN : amide:sc= -2.35! K(o=-2.4!,f=-0.77) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 0.772 (180deg=-0.0236) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.74! C(o=-1.7!,f=-12!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -0.318 (180deg=-0.549) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.89 K(o=-0.89,f=-3.2!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.459 -2.296 8.967 1.00 0.20 N ATOM 37 CA LYS A 3 -1.529 -3.412 9.318 1.00 0.18 C ATOM 38 C LYS A 3 -0.136 -3.056 8.793 1.00 0.15 C ATOM 39 O LYS A 3 0.041 -2.781 7.623 1.00 0.16 O ATOM 40 CB LYS A 3 -2.016 -4.700 8.635 1.00 0.19 C ATOM 41 CG LYS A 3 -1.169 -5.906 9.077 1.00 0.20 C ATOM 42 CD LYS A 3 -1.566 -6.347 10.490 1.00 0.81 C ATOM 43 CE LYS A 3 -0.959 -7.722 10.783 1.00 1.03 C ATOM 44 NZ LYS A 3 0.525 -7.612 10.785 1.00 1.67 N ATOM 0 HA LYS A 3 -1.498 -3.561 10.397 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.063 -4.875 8.883 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.959 -4.587 7.552 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.308 -6.732 8.379 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.111 -5.644 9.054 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.216 -5.619 11.222 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.652 -6.390 10.578 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.310 -8.089 11.747 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -1.281 -8.443 10.031 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 0.938 -8.489 11.163 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 0.863 -7.461 9.813 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 0.813 -6.809 11.380 1.00 1.67 H new ATOM 58 N GLN A 4 0.859 -3.061 9.642 1.00 0.15 N ATOM 59 CA GLN A 4 2.240 -2.725 9.178 1.00 0.14 C ATOM 60 C GLN A 4 2.984 -4.018 8.852 1.00 0.12 C ATOM 61 O GLN A 4 3.119 -4.893 9.683 1.00 0.13 O ATOM 62 CB GLN A 4 2.979 -1.976 10.289 1.00 0.16 C ATOM 63 CG GLN A 4 4.375 -1.568 9.799 1.00 0.17 C ATOM 64 CD GLN A 4 5.081 -0.747 10.884 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.763 -0.864 12.052 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.029 0.088 10.546 1.00 0.31 N ATOM 0 H GLN A 4 0.776 -3.283 10.634 1.00 0.15 H new ATOM 0 HA GLN A 4 2.190 -2.096 8.289 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.414 -1.092 10.583 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.064 -2.608 11.173 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.962 -2.455 9.561 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.293 -0.984 8.882 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.296 0.187 9.567 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.501 0.640 11.262 1.00 0.31 H new ATOM 75 N ILE A 5 3.481 -4.137 7.648 1.00 0.10 N ATOM 76 CA ILE A 5 4.231 -5.363 7.252 1.00 0.10 C ATOM 77 C ILE A 5 5.723 -5.059 7.315 1.00 0.10 C ATOM 78 O ILE A 5 6.232 -4.274 6.542 1.00 0.11 O ATOM 79 CB ILE A 5 3.860 -5.733 5.819 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.335 -5.759 5.670 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.435 -7.101 5.465 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.711 -6.698 6.717 1.00 0.19 C ATOM 0 H ILE A 5 3.398 -3.430 6.917 1.00 0.10 H new ATOM 0 HA ILE A 5 3.985 -6.188 7.921 1.00 0.10 H new ATOM 0 HB ILE A 5 4.277 -4.988 5.142 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.934 -4.752 5.790 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.067 -6.092 4.667 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.164 -7.355 4.440 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.521 -7.074 5.558 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.031 -7.852 6.144 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.627 -6.706 6.599 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.099 -7.707 6.578 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.964 -6.347 7.717 1.00 0.19 H new ATOM 94 N GLU A 6 6.431 -5.657 8.235 1.00 0.11 N ATOM 95 CA GLU A 6 7.894 -5.379 8.344 1.00 0.13 C ATOM 96 C GLU A 6 8.694 -6.457 7.606 1.00 0.12 C ATOM 97 O GLU A 6 9.907 -6.412 7.561 1.00 0.13 O ATOM 98 CB GLU A 6 8.296 -5.371 9.820 1.00 0.15 C ATOM 99 CG GLU A 6 7.514 -4.291 10.569 1.00 0.17 C ATOM 100 CD GLU A 6 8.025 -2.909 10.157 1.00 1.45 C ATOM 101 OE1 GLU A 6 7.527 -2.381 9.177 1.00 2.25 O ATOM 102 OE2 GLU A 6 8.909 -2.405 10.827 1.00 2.25 O ATOM 0 H GLU A 6 6.062 -6.323 8.914 1.00 0.11 H new ATOM 0 HA GLU A 6 8.108 -4.409 7.894 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.101 -6.347 10.264 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.366 -5.187 9.913 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.450 -4.378 10.347 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.627 -4.426 11.645 1.00 0.17 H new ATOM 109 N SER A 7 8.038 -7.422 7.017 1.00 0.12 N ATOM 110 CA SER A 7 8.797 -8.487 6.287 1.00 0.13 C ATOM 111 C SER A 7 7.926 -9.132 5.208 1.00 0.12 C ATOM 112 O SER A 7 6.714 -9.139 5.297 1.00 0.12 O ATOM 113 CB SER A 7 9.225 -9.566 7.282 1.00 0.15 C ATOM 114 OG SER A 7 8.068 -10.131 7.886 1.00 0.15 O ATOM 0 H SER A 7 7.023 -7.521 7.008 1.00 0.12 H new ATOM 0 HA SER A 7 9.667 -8.032 5.814 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.799 -10.340 6.773 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.875 -9.137 8.044 1.00 0.15 H new ATOM 0 HG SER A 7 8.338 -10.825 8.524 1.00 0.15 H new ATOM 120 N LYS A 8 8.539 -9.718 4.210 1.00 0.14 N ATOM 121 CA LYS A 8 7.744 -10.406 3.152 1.00 0.15 C ATOM 122 C LYS A 8 7.013 -11.567 3.802 1.00 0.15 C ATOM 123 O LYS A 8 5.926 -11.938 3.411 1.00 0.16 O ATOM 124 CB LYS A 8 8.667 -10.956 2.057 1.00 0.18 C ATOM 125 CG LYS A 8 7.817 -11.430 0.869 1.00 0.21 C ATOM 126 CD LYS A 8 8.637 -12.362 -0.027 1.00 0.43 C ATOM 127 CE LYS A 8 9.799 -11.588 -0.648 1.00 0.80 C ATOM 128 NZ LYS A 8 10.374 -12.375 -1.776 1.00 1.65 N ATOM 0 H LYS A 8 9.551 -9.749 4.084 1.00 0.14 H new ATOM 0 HA LYS A 8 7.047 -9.700 2.700 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.367 -10.185 1.734 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.261 -11.783 2.447 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.930 -11.949 1.231 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.471 -10.571 0.294 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.017 -13.201 0.556 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.004 -12.778 -0.811 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.454 -10.618 -1.006 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.565 -11.396 0.103 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.021 -11.774 -2.324 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.896 -13.192 -1.399 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.606 -12.710 -2.393 1.00 1.65 H new ATOM 142 N THR A 9 7.617 -12.156 4.792 1.00 0.15 N ATOM 143 CA THR A 9 6.968 -13.310 5.458 1.00 0.17 C ATOM 144 C THR A 9 5.583 -12.884 5.954 1.00 0.16 C ATOM 145 O THR A 9 4.598 -13.550 5.711 1.00 0.17 O ATOM 146 CB THR A 9 7.832 -13.762 6.640 1.00 0.19 C ATOM 147 OG1 THR A 9 9.146 -14.054 6.181 1.00 0.22 O ATOM 148 CG2 THR A 9 7.228 -15.016 7.268 1.00 0.23 C ATOM 0 H THR A 9 8.527 -11.889 5.166 1.00 0.15 H new ATOM 0 HA THR A 9 6.862 -14.137 4.756 1.00 0.17 H new ATOM 0 HB THR A 9 7.871 -12.966 7.383 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.700 -14.342 6.936 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.845 -15.335 8.108 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.220 -14.797 7.620 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.188 -15.812 6.524 1.00 0.23 H new ATOM 156 N ALA A 10 5.497 -11.769 6.624 1.00 0.15 N ATOM 157 CA ALA A 10 4.167 -11.289 7.108 1.00 0.15 C ATOM 158 C ALA A 10 3.313 -10.874 5.909 1.00 0.14 C ATOM 159 O ALA A 10 2.104 -10.973 5.933 1.00 0.15 O ATOM 160 CB ALA A 10 4.361 -10.088 8.038 1.00 0.17 C ATOM 0 H ALA A 10 6.287 -11.168 6.858 1.00 0.15 H new ATOM 0 HA ALA A 10 3.667 -12.090 7.654 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.390 -9.740 8.390 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.971 -10.383 8.891 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.860 -9.285 7.496 1.00 0.17 H new ATOM 166 N PHE A 11 3.932 -10.392 4.865 1.00 0.14 N ATOM 167 CA PHE A 11 3.152 -9.947 3.674 1.00 0.13 C ATOM 168 C PHE A 11 2.338 -11.113 3.134 1.00 0.14 C ATOM 169 O PHE A 11 1.173 -10.981 2.816 1.00 0.14 O ATOM 170 CB PHE A 11 4.136 -9.497 2.589 1.00 0.14 C ATOM 171 CG PHE A 11 3.389 -8.851 1.441 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.725 -7.632 1.626 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.378 -9.467 0.181 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.048 -7.038 0.555 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.702 -8.872 -0.886 1.00 0.14 C ATOM 176 CZ PHE A 11 2.037 -7.659 -0.700 1.00 0.14 C ATOM 0 H PHE A 11 4.943 -10.287 4.785 1.00 0.14 H new ATOM 0 HA PHE A 11 2.486 -9.131 3.954 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.853 -8.792 3.008 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.705 -10.353 2.226 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.735 -7.151 2.593 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.894 -10.405 0.036 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.533 -6.099 0.697 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.694 -9.350 -1.854 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.513 -7.199 -1.525 1.00 0.14 H new ATOM 186 N GLN A 12 2.939 -12.256 3.034 1.00 0.14 N ATOM 187 CA GLN A 12 2.194 -13.433 2.521 1.00 0.16 C ATOM 188 C GLN A 12 1.068 -13.753 3.507 1.00 0.15 C ATOM 189 O GLN A 12 -0.045 -14.058 3.124 1.00 0.16 O ATOM 190 CB GLN A 12 3.159 -14.617 2.431 1.00 0.18 C ATOM 191 CG GLN A 12 4.331 -14.265 1.507 1.00 0.17 C ATOM 192 CD GLN A 12 3.813 -14.036 0.085 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.180 -14.900 -0.491 1.00 1.12 O ATOM 194 NE2 GLN A 12 4.055 -12.902 -0.505 1.00 1.31 N ATOM 0 H GLN A 12 3.913 -12.429 3.284 1.00 0.14 H new ATOM 0 HA GLN A 12 1.774 -13.232 1.536 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.531 -14.871 3.424 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.637 -15.495 2.052 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.837 -13.370 1.869 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.066 -15.070 1.512 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.586 -12.178 -0.021 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.714 -12.737 -1.452 1.00 1.31 H new ATOM 203 N GLU A 13 1.360 -13.666 4.781 1.00 0.16 N ATOM 204 CA GLU A 13 0.335 -13.943 5.833 1.00 0.17 C ATOM 205 C GLU A 13 -0.779 -12.906 5.773 1.00 0.15 C ATOM 206 O GLU A 13 -1.935 -13.200 6.006 1.00 0.16 O ATOM 207 CB GLU A 13 1.010 -13.881 7.206 1.00 0.19 C ATOM 208 CG GLU A 13 2.038 -15.005 7.322 1.00 0.28 C ATOM 209 CD GLU A 13 1.323 -16.357 7.300 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.168 -16.402 7.694 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.943 -17.325 6.893 1.00 1.67 O ATOM 0 H GLU A 13 2.279 -13.411 5.141 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.095 -14.930 5.666 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.496 -12.915 7.340 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.263 -13.975 7.994 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.751 -14.946 6.500 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.607 -14.898 8.246 1.00 0.28 H new ATOM 218 N ALA A 14 -0.435 -11.687 5.484 1.00 0.15 N ATOM 219 CA ALA A 14 -1.459 -10.615 5.426 1.00 0.14 C ATOM 220 C ALA A 14 -2.376 -10.876 4.238 1.00 0.13 C ATOM 221 O ALA A 14 -3.583 -10.779 4.337 1.00 0.13 O ATOM 222 CB ALA A 14 -0.757 -9.264 5.270 1.00 0.15 C ATOM 0 H ALA A 14 0.519 -11.385 5.284 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.052 -10.603 6.340 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.502 -8.470 5.226 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.097 -9.096 6.121 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.171 -9.262 4.351 1.00 0.15 H new ATOM 228 N LEU A 15 -1.814 -11.228 3.118 1.00 0.12 N ATOM 229 CA LEU A 15 -2.653 -11.519 1.934 1.00 0.12 C ATOM 230 C LEU A 15 -3.577 -12.684 2.274 1.00 0.13 C ATOM 231 O LEU A 15 -4.732 -12.706 1.901 1.00 0.13 O ATOM 232 CB LEU A 15 -1.753 -11.903 0.759 1.00 0.13 C ATOM 233 CG LEU A 15 -0.941 -10.681 0.314 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.141 -11.123 -0.676 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.858 -9.628 -0.345 1.00 0.17 C ATOM 0 H LEU A 15 -0.809 -11.326 2.975 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.242 -10.643 1.662 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.083 -12.712 1.050 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.357 -12.273 -0.070 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.474 -10.230 1.190 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.720 -10.256 -0.994 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.802 -11.844 -0.195 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.328 -11.585 -1.545 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.262 -8.769 -0.654 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.345 -10.064 -1.217 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.615 -9.306 0.370 1.00 0.17 H new ATOM 247 N ASP A 16 -3.072 -13.657 2.985 1.00 0.13 N ATOM 248 CA ASP A 16 -3.917 -14.826 3.356 1.00 0.15 C ATOM 249 C ASP A 16 -4.991 -14.397 4.366 1.00 0.15 C ATOM 250 O ASP A 16 -6.080 -14.934 4.390 1.00 0.16 O ATOM 251 CB ASP A 16 -3.039 -15.914 3.985 1.00 0.17 C ATOM 252 CG ASP A 16 -3.808 -17.239 4.016 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.677 -17.375 4.863 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.516 -18.095 3.195 1.00 1.07 O ATOM 0 H ASP A 16 -2.111 -13.691 3.324 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.400 -15.214 2.459 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.119 -16.029 3.413 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.752 -15.625 4.996 1.00 0.17 H new ATOM 259 N ALA A 17 -4.685 -13.451 5.215 1.00 0.15 N ATOM 260 CA ALA A 17 -5.686 -13.006 6.232 1.00 0.16 C ATOM 261 C ALA A 17 -6.780 -12.155 5.574 1.00 0.15 C ATOM 262 O ALA A 17 -7.936 -12.220 5.947 1.00 0.17 O ATOM 263 CB ALA A 17 -4.982 -12.191 7.316 1.00 0.18 C ATOM 0 H ALA A 17 -3.787 -12.968 5.249 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.151 -13.886 6.677 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.711 -11.866 8.058 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.223 -12.806 7.799 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.509 -11.318 6.866 1.00 0.18 H new ATOM 269 N ALA A 18 -6.430 -11.357 4.602 1.00 0.14 N ATOM 270 CA ALA A 18 -7.453 -10.501 3.931 1.00 0.15 C ATOM 271 C ALA A 18 -8.511 -11.387 3.276 1.00 0.14 C ATOM 272 O ALA A 18 -9.660 -11.011 3.155 1.00 0.17 O ATOM 273 CB ALA A 18 -6.779 -9.645 2.859 1.00 0.15 C ATOM 0 H ALA A 18 -5.480 -11.260 4.243 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.925 -9.855 4.672 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.526 -9.020 2.369 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.023 -9.011 3.322 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.307 -10.292 2.120 1.00 0.15 H new ATOM 279 N GLY A 19 -8.130 -12.560 2.856 1.00 0.16 N ATOM 280 CA GLY A 19 -9.105 -13.476 2.206 1.00 0.20 C ATOM 281 C GLY A 19 -9.539 -12.907 0.852 1.00 0.16 C ATOM 282 O GLY A 19 -8.719 -12.586 0.015 1.00 0.17 O ATOM 0 H GLY A 19 -7.181 -12.925 2.936 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.656 -14.460 2.069 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.975 -13.609 2.849 1.00 0.20 H new ATOM 286 N ASP A 20 -10.822 -12.792 0.627 1.00 0.15 N ATOM 287 CA ASP A 20 -11.319 -12.262 -0.681 1.00 0.14 C ATOM 288 C ASP A 20 -11.536 -10.747 -0.597 1.00 0.12 C ATOM 289 O ASP A 20 -12.015 -10.135 -1.531 1.00 0.13 O ATOM 290 CB ASP A 20 -12.642 -12.947 -1.033 1.00 0.15 C ATOM 291 CG ASP A 20 -12.427 -14.460 -1.144 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.422 -14.857 -1.708 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.271 -15.196 -0.663 1.00 1.07 O ATOM 0 H ASP A 20 -11.551 -13.043 1.295 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.576 -12.468 -1.452 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.389 -12.731 -0.269 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.027 -12.555 -1.974 1.00 0.15 H new ATOM 298 N LYS A 21 -11.196 -10.138 0.507 1.00 0.12 N ATOM 299 CA LYS A 21 -11.391 -8.660 0.636 1.00 0.12 C ATOM 300 C LYS A 21 -10.310 -7.932 -0.170 1.00 0.10 C ATOM 301 O LYS A 21 -9.219 -8.433 -0.353 1.00 0.11 O ATOM 302 CB LYS A 21 -11.271 -8.250 2.105 1.00 0.15 C ATOM 303 CG LYS A 21 -12.466 -8.780 2.899 1.00 0.21 C ATOM 304 CD LYS A 21 -12.505 -8.090 4.264 1.00 0.31 C ATOM 305 CE LYS A 21 -13.756 -8.530 5.025 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.654 -9.980 5.351 1.00 1.50 N ATOM 0 H LYS A 21 -10.793 -10.596 1.324 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.379 -8.396 0.260 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.344 -8.640 2.525 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.225 -7.164 2.185 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.392 -8.592 2.356 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.385 -9.860 3.025 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.612 -8.342 4.836 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.507 -7.008 4.136 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.862 -7.947 5.940 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -14.645 -8.343 4.423 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.350 -10.220 6.085 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -13.844 -10.542 4.497 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -12.697 -10.191 5.699 1.00 1.50 H new ATOM 320 N LEU A 22 -10.599 -6.755 -0.657 1.00 0.11 N ATOM 321 CA LEU A 22 -9.585 -6.014 -1.450 1.00 0.12 C ATOM 322 C LEU A 22 -8.375 -5.760 -0.534 1.00 0.12 C ATOM 323 O LEU A 22 -8.504 -5.736 0.674 1.00 0.14 O ATOM 324 CB LEU A 22 -10.205 -4.675 -1.920 1.00 0.15 C ATOM 325 CG LEU A 22 -9.803 -4.324 -3.369 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.315 -2.901 -3.728 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.271 -4.375 -3.539 1.00 0.47 C ATOM 0 H LEU A 22 -11.493 -6.278 -0.538 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.270 -6.578 -2.328 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.291 -4.735 -1.850 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.886 -3.875 -1.252 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.255 -5.057 -4.037 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.029 -2.659 -4.751 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.401 -2.872 -3.639 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.875 -2.173 -3.046 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.010 -4.124 -4.567 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.806 -3.659 -2.862 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.912 -5.378 -3.308 1.00 0.47 H new ATOM 339 N VAL A 23 -7.210 -5.568 -1.091 1.00 0.11 N ATOM 340 CA VAL A 23 -6.007 -5.310 -0.253 1.00 0.11 C ATOM 341 C VAL A 23 -5.134 -4.289 -0.965 1.00 0.11 C ATOM 342 O VAL A 23 -4.667 -4.519 -2.064 1.00 0.17 O ATOM 343 CB VAL A 23 -5.211 -6.605 -0.065 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.993 -6.329 0.824 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.099 -7.657 0.595 1.00 0.12 C ATOM 0 H VAL A 23 -7.040 -5.579 -2.097 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.314 -4.937 0.724 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.876 -6.972 -1.035 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.425 -7.249 0.959 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.360 -5.578 0.351 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.327 -5.963 1.795 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.533 -8.579 0.729 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.434 -7.293 1.566 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.965 -7.852 -0.038 1.00 0.12 H new ATOM 355 N VAL A 24 -4.902 -3.165 -0.343 1.00 0.09 N ATOM 356 CA VAL A 24 -4.046 -2.116 -0.965 1.00 0.09 C ATOM 357 C VAL A 24 -2.698 -2.122 -0.237 1.00 0.09 C ATOM 358 O VAL A 24 -2.648 -2.281 0.967 1.00 0.10 O ATOM 359 CB VAL A 24 -4.726 -0.746 -0.812 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.934 0.317 -1.580 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.150 -0.816 -1.368 1.00 0.14 C ATOM 0 H VAL A 24 -5.272 -2.927 0.577 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.899 -2.312 -2.027 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.758 -0.480 0.244 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.421 1.286 -1.468 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.920 0.373 -1.183 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.896 0.050 -2.636 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.631 0.156 -1.259 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.116 -1.088 -2.423 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.719 -1.566 -0.818 1.00 0.14 H new ATOM 371 N VAL A 25 -1.605 -1.972 -0.948 1.00 0.09 N ATOM 372 CA VAL A 25 -0.259 -1.988 -0.281 1.00 0.09 C ATOM 373 C VAL A 25 0.482 -0.694 -0.609 1.00 0.10 C ATOM 374 O VAL A 25 0.742 -0.398 -1.754 1.00 0.11 O ATOM 375 CB VAL A 25 0.554 -3.170 -0.815 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.867 -3.290 -0.043 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.246 -4.463 -0.653 1.00 0.10 C ATOM 0 H VAL A 25 -1.585 -1.839 -1.959 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.388 -2.080 0.797 1.00 0.09 H new ATOM 0 HB VAL A 25 0.768 -3.003 -1.871 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.440 -4.133 -0.429 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.445 -2.373 -0.163 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.654 -3.449 1.014 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.337 -5.302 -1.034 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.467 -4.625 0.402 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.179 -4.386 -1.211 1.00 0.10 H new ATOM 387 N ASP A 26 0.836 0.073 0.390 1.00 0.11 N ATOM 388 CA ASP A 26 1.573 1.352 0.135 1.00 0.12 C ATOM 389 C ASP A 26 3.083 1.144 0.351 1.00 0.14 C ATOM 390 O ASP A 26 3.523 0.828 1.435 1.00 0.20 O ATOM 391 CB ASP A 26 1.060 2.421 1.102 1.00 0.14 C ATOM 392 CG ASP A 26 1.667 3.770 0.727 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.412 3.814 -0.239 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.384 4.737 1.414 1.00 1.04 O ATOM 0 H ASP A 26 0.648 -0.129 1.372 1.00 0.11 H new ATOM 0 HA ASP A 26 1.405 1.669 -0.894 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.028 2.474 1.060 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.327 2.160 2.126 1.00 0.14 H new ATOM 399 N PHE A 27 3.879 1.336 -0.673 1.00 0.13 N ATOM 400 CA PHE A 27 5.365 1.172 -0.540 1.00 0.13 C ATOM 401 C PHE A 27 6.011 2.525 -0.253 1.00 0.22 C ATOM 402 O PHE A 27 7.162 2.745 -0.557 1.00 0.73 O ATOM 403 CB PHE A 27 5.956 0.598 -1.833 1.00 0.11 C ATOM 404 CG PHE A 27 5.639 -0.872 -1.943 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.406 -1.804 -1.232 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.595 -1.311 -2.762 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.127 -3.171 -1.342 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.319 -2.675 -2.865 1.00 0.14 C ATOM 409 CZ PHE A 27 5.081 -3.603 -2.157 1.00 0.14 C ATOM 0 H PHE A 27 3.561 1.602 -1.605 1.00 0.13 H new ATOM 0 HA PHE A 27 5.566 0.485 0.282 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.551 1.130 -2.694 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.036 0.746 -1.845 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.213 -1.467 -0.598 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.003 -0.596 -3.314 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.721 -3.890 -0.797 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.511 -3.013 -3.497 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.861 -4.657 -2.240 1.00 0.14 H new ATOM 419 N SER A 28 5.280 3.441 0.307 1.00 0.30 N ATOM 420 CA SER A 28 5.872 4.780 0.581 1.00 0.24 C ATOM 421 C SER A 28 7.064 4.657 1.515 1.00 0.24 C ATOM 422 O SER A 28 7.108 3.812 2.386 1.00 0.28 O ATOM 423 CB SER A 28 4.836 5.679 1.245 1.00 0.27 C ATOM 424 OG SER A 28 3.720 5.828 0.384 1.00 0.29 O ATOM 0 H SER A 28 4.306 3.326 0.586 1.00 0.30 H new ATOM 0 HA SER A 28 6.193 5.208 -0.369 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.521 5.249 2.196 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.272 6.653 1.465 1.00 0.27 H new ATOM 0 HG SER A 28 3.593 5.005 -0.133 1.00 0.29 H new ATOM 430 N ALA A 29 8.024 5.523 1.343 1.00 0.20 N ATOM 431 CA ALA A 29 9.217 5.502 2.221 1.00 0.21 C ATOM 432 C ALA A 29 8.882 6.302 3.472 1.00 0.22 C ATOM 433 O ALA A 29 8.503 7.455 3.396 1.00 0.22 O ATOM 434 CB ALA A 29 10.415 6.141 1.481 1.00 0.19 C ATOM 0 H ALA A 29 8.029 6.248 0.625 1.00 0.20 H new ATOM 0 HA ALA A 29 9.486 4.480 2.488 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.292 6.125 2.128 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.624 5.577 0.572 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.174 7.172 1.221 1.00 0.19 H new ATOM 440 N THR A 30 9.013 5.714 4.618 1.00 0.23 N ATOM 441 CA THR A 30 8.701 6.469 5.855 1.00 0.24 C ATOM 442 C THR A 30 9.734 7.577 6.006 1.00 0.22 C ATOM 443 O THR A 30 9.467 8.623 6.561 1.00 0.22 O ATOM 444 CB THR A 30 8.771 5.540 7.065 1.00 0.28 C ATOM 445 OG1 THR A 30 8.520 6.292 8.246 1.00 0.30 O ATOM 446 CG2 THR A 30 10.162 4.910 7.140 1.00 0.29 C ATOM 0 H THR A 30 9.320 4.751 4.754 1.00 0.23 H new ATOM 0 HA THR A 30 7.697 6.888 5.794 1.00 0.24 H new ATOM 0 HB THR A 30 8.024 4.752 6.970 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.562 5.700 9.026 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.215 4.246 8.003 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.352 4.339 6.231 1.00 0.29 H new ATOM 0 HG23 THR A 30 10.912 5.695 7.239 1.00 0.29 H new ATOM 454 N TRP A 31 10.917 7.354 5.504 1.00 0.22 N ATOM 455 CA TRP A 31 11.983 8.391 5.612 1.00 0.21 C ATOM 456 C TRP A 31 11.729 9.521 4.620 1.00 0.19 C ATOM 457 O TRP A 31 12.258 10.608 4.756 1.00 0.22 O ATOM 458 CB TRP A 31 13.331 7.763 5.292 1.00 0.23 C ATOM 459 CG TRP A 31 13.335 7.272 3.876 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.078 6.001 3.504 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.582 8.014 2.643 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.210 5.895 2.131 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.505 7.112 1.553 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.876 9.361 2.366 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.713 7.532 0.240 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.079 9.786 1.045 1.00 0.23 C ATOM 467 CH2 TRP A 31 13.999 8.873 -0.014 1.00 0.21 C ATOM 0 H TRP A 31 11.192 6.498 5.023 1.00 0.22 H new ATOM 0 HA TRP A 31 11.978 8.790 6.626 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.127 8.494 5.436 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.529 6.937 5.974 1.00 0.23 H new ATOM 0 HD1 TRP A 31 12.812 5.195 4.172 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.102 5.024 1.610 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.946 10.073 3.175 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.653 6.825 -0.574 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.298 10.824 0.843 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.159 9.208 -1.028 1.00 0.21 H new ATOM 478 N CYS A 32 10.934 9.284 3.617 1.00 0.18 N ATOM 479 CA CYS A 32 10.662 10.361 2.630 1.00 0.17 C ATOM 480 C CYS A 32 9.486 11.180 3.151 1.00 0.17 C ATOM 481 O CYS A 32 8.373 10.706 3.252 1.00 0.20 O ATOM 482 CB CYS A 32 10.340 9.738 1.261 1.00 0.18 C ATOM 483 SG CYS A 32 10.571 10.987 -0.042 1.00 0.26 S ATOM 0 H CYS A 32 10.463 8.397 3.439 1.00 0.18 H new ATOM 0 HA CYS A 32 11.531 11.007 2.504 1.00 0.17 H new ATOM 0 HB2 CYS A 32 10.988 8.881 1.078 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.314 9.370 1.249 1.00 0.18 H new ATOM 488 N GLY A 33 9.749 12.401 3.526 1.00 0.20 N ATOM 489 CA GLY A 33 8.679 13.266 4.087 1.00 0.23 C ATOM 490 C GLY A 33 7.538 13.461 3.087 1.00 0.21 C ATOM 491 O GLY A 33 6.387 13.273 3.428 1.00 0.22 O ATOM 0 H GLY A 33 10.668 12.838 3.466 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.290 12.819 5.002 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.097 14.235 4.358 1.00 0.23 H new ATOM 495 N PRO A 34 7.822 13.845 1.868 1.00 0.21 N ATOM 496 CA PRO A 34 6.731 14.047 0.879 1.00 0.22 C ATOM 497 C PRO A 34 5.804 12.832 0.821 1.00 0.22 C ATOM 498 O PRO A 34 4.605 12.958 0.664 1.00 0.24 O ATOM 499 CB PRO A 34 7.517 14.240 -0.425 1.00 0.29 C ATOM 500 CG PRO A 34 8.951 14.637 -0.038 1.00 0.31 C ATOM 501 CD PRO A 34 9.208 14.107 1.384 1.00 0.24 C ATOM 0 HA PRO A 34 6.068 14.881 1.109 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.517 13.322 -1.013 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.057 15.013 -1.041 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.669 14.214 -0.741 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.072 15.720 -0.072 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.817 13.203 1.379 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.727 14.838 2.005 1.00 0.24 H new ATOM 509 N ALA A 35 6.351 11.654 0.969 1.00 0.21 N ATOM 510 CA ALA A 35 5.506 10.427 0.941 1.00 0.23 C ATOM 511 C ALA A 35 4.796 10.252 2.293 1.00 0.23 C ATOM 512 O ALA A 35 3.614 9.979 2.351 1.00 0.22 O ATOM 513 CB ALA A 35 6.396 9.210 0.647 1.00 0.24 C ATOM 0 H ALA A 35 7.348 11.490 1.108 1.00 0.21 H new ATOM 0 HA ALA A 35 4.750 10.518 0.161 1.00 0.23 H new ATOM 0 HB1 ALA A 35 5.784 8.308 0.625 1.00 0.24 H new ATOM 0 HB2 ALA A 35 6.884 9.341 -0.319 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.153 9.116 1.426 1.00 0.24 H new ATOM 519 N LYS A 36 5.505 10.422 3.378 1.00 0.25 N ATOM 520 CA LYS A 36 4.870 10.274 4.719 1.00 0.27 C ATOM 521 C LYS A 36 3.737 11.293 4.844 1.00 0.26 C ATOM 522 O LYS A 36 2.740 11.055 5.496 1.00 0.27 O ATOM 523 CB LYS A 36 5.913 10.518 5.814 1.00 0.33 C ATOM 524 CG LYS A 36 5.328 10.133 7.173 1.00 0.37 C ATOM 525 CD LYS A 36 6.327 10.492 8.278 1.00 0.44 C ATOM 526 CE LYS A 36 5.785 10.026 9.628 1.00 0.89 C ATOM 527 NZ LYS A 36 4.507 10.733 9.922 1.00 1.59 N ATOM 0 H LYS A 36 6.497 10.657 3.392 1.00 0.25 H new ATOM 0 HA LYS A 36 4.471 9.266 4.831 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.810 9.932 5.613 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.212 11.566 5.819 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.385 10.655 7.336 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.110 9.065 7.198 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.290 10.021 8.079 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.496 11.569 8.294 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.622 8.948 9.614 1.00 0.89 H new ATOM 0 HE3 LYS A 36 6.513 10.228 10.413 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 4.287 10.646 10.935 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.601 11.738 9.673 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 3.739 10.309 9.363 1.00 1.59 H new ATOM 541 N MET A 37 3.882 12.419 4.206 1.00 0.28 N ATOM 542 CA MET A 37 2.823 13.466 4.274 1.00 0.30 C ATOM 543 C MET A 37 1.513 12.909 3.716 1.00 0.25 C ATOM 544 O MET A 37 0.450 13.325 4.112 1.00 0.25 O ATOM 545 CB MET A 37 3.262 14.679 3.441 1.00 0.38 C ATOM 546 CG MET A 37 2.291 15.852 3.653 1.00 0.44 C ATOM 547 SD MET A 37 0.772 15.578 2.704 1.00 1.54 S ATOM 548 CE MET A 37 1.333 16.321 1.152 1.00 2.10 C ATOM 0 H MET A 37 4.693 12.662 3.637 1.00 0.28 H new ATOM 0 HA MET A 37 2.671 13.767 5.311 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.271 14.978 3.725 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.294 14.411 2.385 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.055 15.952 4.712 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.761 16.785 3.341 1.00 0.44 H new ATOM 0 HE1 MET A 37 0.537 16.260 0.410 1.00 2.10 H new ATOM 0 HE2 MET A 37 1.591 17.366 1.321 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.210 15.785 0.788 1.00 2.10 H new ATOM 558 N ILE A 38 1.590 11.985 2.790 1.00 0.23 N ATOM 559 CA ILE A 38 0.356 11.393 2.179 1.00 0.25 C ATOM 560 C ILE A 38 -0.240 10.299 3.083 1.00 0.26 C ATOM 561 O ILE A 38 -1.273 9.742 2.776 1.00 0.31 O ATOM 562 CB ILE A 38 0.692 10.762 0.812 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.655 11.668 0.031 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.597 10.579 -0.006 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.086 10.972 -1.263 1.00 0.49 C ATOM 0 H ILE A 38 2.466 11.610 2.426 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.370 12.197 2.058 1.00 0.25 H new ATOM 0 HB ILE A 38 1.164 9.794 0.982 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.170 12.617 -0.199 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.529 11.896 0.641 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.355 10.133 -0.971 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.281 9.925 0.535 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.069 11.549 -0.163 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.769 11.619 -1.814 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.588 10.035 -1.022 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.208 10.766 -1.875 1.00 0.49 H new ATOM 577 N LYS A 39 0.402 9.933 4.163 1.00 0.27 N ATOM 578 CA LYS A 39 -0.171 8.820 4.973 1.00 0.34 C ATOM 579 C LYS A 39 -1.588 9.132 5.511 1.00 0.30 C ATOM 580 O LYS A 39 -2.353 8.218 5.697 1.00 0.33 O ATOM 581 CB LYS A 39 0.764 8.395 6.141 1.00 0.46 C ATOM 582 CG LYS A 39 0.679 9.335 7.368 1.00 0.50 C ATOM 583 CD LYS A 39 1.226 8.622 8.622 1.00 0.65 C ATOM 584 CE LYS A 39 0.357 7.401 8.998 1.00 0.80 C ATOM 585 NZ LYS A 39 0.959 6.164 8.416 1.00 0.75 N ATOM 0 H LYS A 39 1.270 10.342 4.510 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.258 7.981 4.283 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.509 7.381 6.450 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.793 8.370 5.782 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.250 10.244 7.179 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.355 9.636 7.534 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.251 8.299 8.441 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.255 9.322 9.457 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.289 7.310 10.082 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.658 7.535 8.625 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.255 5.682 7.822 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.785 6.419 7.837 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.257 5.529 9.184 1.00 0.75 H new ATOM 599 N PRO A 40 -1.965 10.365 5.802 1.00 0.26 N ATOM 600 CA PRO A 40 -3.329 10.608 6.348 1.00 0.25 C ATOM 601 C PRO A 40 -4.427 10.140 5.394 1.00 0.20 C ATOM 602 O PRO A 40 -5.424 9.603 5.813 1.00 0.21 O ATOM 603 CB PRO A 40 -3.329 12.136 6.518 1.00 0.26 C ATOM 604 CG PRO A 40 -1.867 12.566 6.549 1.00 0.28 C ATOM 605 CD PRO A 40 -1.137 11.589 5.631 1.00 0.27 C ATOM 0 HA PRO A 40 -3.535 10.060 7.268 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.858 12.618 5.696 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.838 12.424 7.438 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.752 13.593 6.201 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.467 12.526 7.562 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -1.117 11.932 4.597 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.102 11.432 5.935 1.00 0.27 H new ATOM 613 N PHE A 41 -4.258 10.322 4.114 1.00 0.16 N ATOM 614 CA PHE A 41 -5.319 9.856 3.189 1.00 0.13 C ATOM 615 C PHE A 41 -5.300 8.329 3.149 1.00 0.13 C ATOM 616 O PHE A 41 -6.300 7.670 3.353 1.00 0.15 O ATOM 617 CB PHE A 41 -5.050 10.379 1.781 1.00 0.14 C ATOM 618 CG PHE A 41 -5.188 11.878 1.748 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.151 12.687 2.221 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.356 12.459 1.238 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.278 14.082 2.184 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.484 13.853 1.200 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.445 14.665 1.673 1.00 0.37 C ATOM 0 H PHE A 41 -3.448 10.764 3.678 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.285 10.222 3.536 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.048 10.092 1.464 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.749 9.927 1.077 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.252 12.237 2.615 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.157 11.833 0.874 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.477 14.707 2.549 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.384 14.302 0.806 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.544 15.740 1.644 1.00 0.37 H new ATOM 633 N PHE A 42 -4.147 7.758 2.926 1.00 0.12 N ATOM 634 CA PHE A 42 -4.035 6.275 2.890 1.00 0.13 C ATOM 635 C PHE A 42 -4.479 5.704 4.234 1.00 0.14 C ATOM 636 O PHE A 42 -5.278 4.791 4.311 1.00 0.16 O ATOM 637 CB PHE A 42 -2.571 5.904 2.627 1.00 0.13 C ATOM 638 CG PHE A 42 -2.430 4.404 2.586 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.754 3.697 1.424 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.995 3.715 3.727 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.646 2.303 1.400 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.882 2.319 3.700 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.210 1.613 2.536 1.00 0.13 C ATOM 0 H PHE A 42 -3.274 8.260 2.766 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.668 5.866 2.102 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.239 6.337 1.683 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.934 6.318 3.409 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.088 4.228 0.545 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.747 4.260 4.626 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.900 1.758 0.503 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.542 1.787 4.577 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.126 0.536 2.515 1.00 0.13 H new ATOM 653 N HIS A 43 -3.968 6.252 5.291 1.00 0.16 N ATOM 654 CA HIS A 43 -4.325 5.777 6.658 1.00 0.18 C ATOM 655 C HIS A 43 -5.791 6.087 6.981 1.00 0.16 C ATOM 656 O HIS A 43 -6.504 5.263 7.511 1.00 0.16 O ATOM 657 CB HIS A 43 -3.399 6.472 7.662 1.00 0.23 C ATOM 658 CG HIS A 43 -3.732 6.014 9.047 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.084 4.949 9.649 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.691 6.425 9.933 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.664 4.754 10.848 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.652 5.626 11.070 1.00 0.31 N ATOM 0 H HIS A 43 -3.304 7.026 5.270 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.200 4.696 6.715 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.358 6.243 7.432 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.511 7.554 7.588 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.374 7.246 9.773 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.367 3.986 11.546 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.248 5.691 11.895 1.00 0.31 H new ATOM 670 N SER A 44 -6.244 7.269 6.679 1.00 0.15 N ATOM 671 CA SER A 44 -7.665 7.618 6.977 1.00 0.15 C ATOM 672 C SER A 44 -8.612 6.706 6.195 1.00 0.13 C ATOM 673 O SER A 44 -9.668 6.341 6.670 1.00 0.15 O ATOM 674 CB SER A 44 -7.941 9.076 6.609 1.00 0.18 C ATOM 675 OG SER A 44 -7.104 9.927 7.386 1.00 0.22 O ATOM 0 H SER A 44 -5.696 8.009 6.240 1.00 0.15 H new ATOM 0 HA SER A 44 -7.836 7.479 8.045 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.755 9.236 5.547 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.989 9.316 6.789 1.00 0.18 H new ATOM 0 HG SER A 44 -6.277 10.111 6.894 1.00 0.22 H new ATOM 681 N LEU A 45 -8.255 6.354 4.989 1.00 0.12 N ATOM 682 CA LEU A 45 -9.152 5.490 4.165 1.00 0.14 C ATOM 683 C LEU A 45 -9.393 4.154 4.861 1.00 0.13 C ATOM 684 O LEU A 45 -10.395 3.507 4.634 1.00 0.15 O ATOM 685 CB LEU A 45 -8.530 5.244 2.788 1.00 0.16 C ATOM 686 CG LEU A 45 -8.667 6.501 1.905 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.654 6.436 0.756 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.078 6.587 1.305 1.00 0.22 C ATOM 0 H LEU A 45 -7.382 6.627 4.538 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.105 6.004 4.043 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.478 4.982 2.899 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.020 4.398 2.306 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.482 7.378 2.526 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.753 7.325 0.133 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.644 6.388 1.164 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.844 5.548 0.153 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.156 7.480 0.685 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.268 5.704 0.695 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.813 6.638 2.109 1.00 0.22 H new ATOM 700 N SER A 46 -8.491 3.716 5.690 1.00 0.12 N ATOM 701 CA SER A 46 -8.710 2.412 6.364 1.00 0.12 C ATOM 702 C SER A 46 -10.075 2.445 7.047 1.00 0.14 C ATOM 703 O SER A 46 -10.820 1.488 7.018 1.00 0.16 O ATOM 704 CB SER A 46 -7.632 2.194 7.425 1.00 0.13 C ATOM 705 OG SER A 46 -6.358 2.217 6.802 1.00 0.14 O ATOM 0 H SER A 46 -7.623 4.197 5.927 1.00 0.12 H new ATOM 0 HA SER A 46 -8.666 1.605 5.632 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.692 2.971 8.187 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.787 1.240 7.929 1.00 0.13 H new ATOM 0 HG SER A 46 -5.989 3.124 6.845 1.00 0.14 H new ATOM 711 N GLU A 47 -10.404 3.540 7.671 1.00 0.15 N ATOM 712 CA GLU A 47 -11.717 3.636 8.364 1.00 0.18 C ATOM 713 C GLU A 47 -12.806 4.086 7.372 1.00 0.18 C ATOM 714 O GLU A 47 -13.983 3.940 7.634 1.00 0.21 O ATOM 715 CB GLU A 47 -11.599 4.657 9.496 1.00 0.22 C ATOM 716 CG GLU A 47 -10.683 4.101 10.589 1.00 0.23 C ATOM 717 CD GLU A 47 -9.231 4.120 10.089 1.00 1.34 C ATOM 718 OE1 GLU A 47 -8.935 4.912 9.211 1.00 2.16 O ATOM 719 OE2 GLU A 47 -8.443 3.334 10.589 1.00 2.05 O ATOM 0 H GLU A 47 -9.819 4.374 7.731 1.00 0.15 H new ATOM 0 HA GLU A 47 -11.992 2.661 8.766 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.199 5.596 9.113 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.584 4.875 9.908 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.776 4.698 11.496 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.979 3.084 10.845 1.00 0.23 H new ATOM 726 N LYS A 48 -12.437 4.632 6.234 1.00 0.17 N ATOM 727 CA LYS A 48 -13.488 5.072 5.264 1.00 0.19 C ATOM 728 C LYS A 48 -13.986 3.808 4.559 1.00 0.18 C ATOM 729 O LYS A 48 -15.157 3.634 4.294 1.00 0.21 O ATOM 730 CB LYS A 48 -12.864 6.039 4.241 1.00 0.20 C ATOM 731 CG LYS A 48 -13.933 6.899 3.544 1.00 0.30 C ATOM 732 CD LYS A 48 -15.117 6.065 3.054 1.00 0.82 C ATOM 733 CE LYS A 48 -15.964 6.907 2.092 1.00 1.03 C ATOM 734 NZ LYS A 48 -17.130 6.106 1.619 1.00 1.78 N ATOM 0 H LYS A 48 -11.473 4.789 5.941 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.308 5.588 5.764 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.147 6.687 4.744 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.310 5.470 3.494 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.290 7.662 4.235 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -13.483 7.420 2.699 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -14.760 5.166 2.552 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -15.722 5.739 3.900 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -16.310 7.811 2.593 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.360 7.225 1.242 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -17.703 6.679 0.967 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -16.790 5.256 1.126 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -17.711 5.824 2.434 1.00 1.78 H new ATOM 748 N TYR A 49 -13.080 2.900 4.298 1.00 0.16 N ATOM 749 CA TYR A 49 -13.448 1.601 3.653 1.00 0.17 C ATOM 750 C TYR A 49 -12.977 0.487 4.579 1.00 0.16 C ATOM 751 O TYR A 49 -12.045 -0.237 4.289 1.00 0.16 O ATOM 752 CB TYR A 49 -12.750 1.461 2.292 1.00 0.17 C ATOM 753 CG TYR A 49 -13.345 2.420 1.290 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.449 2.031 0.519 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.787 3.687 1.123 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.994 2.918 -0.416 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.330 4.573 0.188 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.434 4.189 -0.582 1.00 0.21 C ATOM 759 OH TYR A 49 -14.970 5.064 -1.505 1.00 0.25 O ATOM 0 H TYR A 49 -12.087 3.004 4.507 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.525 1.552 3.490 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.683 1.657 2.402 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.851 0.438 1.929 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -14.878 1.048 0.646 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.935 3.984 1.716 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.846 2.621 -1.009 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.897 5.554 0.060 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.464 5.903 -1.493 1.00 0.25 H new ATOM 769 N SER A 50 -13.623 0.351 5.702 1.00 0.17 N ATOM 770 CA SER A 50 -13.228 -0.698 6.669 1.00 0.18 C ATOM 771 C SER A 50 -13.490 -2.070 6.044 1.00 0.19 C ATOM 772 O SER A 50 -13.104 -3.095 6.574 1.00 0.21 O ATOM 773 CB SER A 50 -14.033 -0.523 7.957 1.00 0.20 C ATOM 774 OG SER A 50 -15.386 -0.887 7.724 1.00 0.22 O ATOM 0 H SER A 50 -14.413 0.928 5.990 1.00 0.17 H new ATOM 0 HA SER A 50 -12.168 -0.617 6.910 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.610 -1.141 8.749 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.977 0.512 8.296 1.00 0.20 H new ATOM 0 HG SER A 50 -15.901 -0.776 8.550 1.00 0.22 H new ATOM 780 N ASN A 51 -14.133 -2.093 4.901 1.00 0.20 N ATOM 781 CA ASN A 51 -14.409 -3.391 4.215 1.00 0.23 C ATOM 782 C ASN A 51 -13.224 -3.728 3.309 1.00 0.19 C ATOM 783 O ASN A 51 -13.229 -4.714 2.599 1.00 0.22 O ATOM 784 CB ASN A 51 -15.675 -3.266 3.363 1.00 0.32 C ATOM 785 CG ASN A 51 -16.118 -4.655 2.887 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.620 -5.446 3.663 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.949 -4.991 1.634 1.00 0.27 N ATOM 0 H ASN A 51 -14.479 -1.266 4.414 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.552 -4.177 4.957 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.471 -2.799 3.943 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.485 -2.621 2.505 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.238 -5.914 1.310 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.528 -4.330 0.981 1.00 0.27 H new ATOM 794 N VAL A 52 -12.198 -2.915 3.350 1.00 0.21 N ATOM 795 CA VAL A 52 -10.976 -3.162 2.524 1.00 0.17 C ATOM 796 C VAL A 52 -9.773 -3.152 3.466 1.00 0.13 C ATOM 797 O VAL A 52 -9.759 -2.437 4.449 1.00 0.14 O ATOM 798 CB VAL A 52 -10.833 -2.069 1.453 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.424 -2.118 0.834 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.881 -2.306 0.358 1.00 0.24 C ATOM 0 H VAL A 52 -12.155 -2.077 3.930 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.045 -4.121 2.011 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.984 -1.091 1.910 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.332 -1.340 0.076 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.679 -1.956 1.613 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.262 -3.093 0.374 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.788 -1.535 -0.407 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.722 -3.286 -0.092 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.879 -2.265 0.795 1.00 0.24 H new ATOM 810 N ILE A 53 -8.775 -3.957 3.203 1.00 0.11 N ATOM 811 CA ILE A 53 -7.595 -4.003 4.124 1.00 0.09 C ATOM 812 C ILE A 53 -6.464 -3.137 3.554 1.00 0.09 C ATOM 813 O ILE A 53 -5.996 -3.361 2.454 1.00 0.12 O ATOM 814 CB ILE A 53 -7.105 -5.456 4.236 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.297 -6.386 4.540 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.057 -5.571 5.366 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.061 -5.899 5.778 1.00 0.15 C ATOM 0 H ILE A 53 -8.724 -4.581 2.397 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.883 -3.627 5.106 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.648 -5.751 3.291 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.968 -6.418 3.682 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.939 -7.403 4.703 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.714 -6.603 5.440 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.210 -4.922 5.144 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.507 -5.269 6.312 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.898 -6.569 5.976 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.392 -5.891 6.638 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.437 -4.891 5.601 1.00 0.15 H new ATOM 829 N PHE A 54 -6.013 -2.153 4.299 1.00 0.08 N ATOM 830 CA PHE A 54 -4.901 -1.270 3.813 1.00 0.09 C ATOM 831 C PHE A 54 -3.587 -1.671 4.492 1.00 0.09 C ATOM 832 O PHE A 54 -3.486 -1.676 5.704 1.00 0.12 O ATOM 833 CB PHE A 54 -5.202 0.182 4.190 1.00 0.10 C ATOM 834 CG PHE A 54 -6.390 0.694 3.413 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.677 0.258 3.743 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.210 1.619 2.377 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.783 0.745 3.040 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.317 2.101 1.672 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.604 1.665 2.004 1.00 0.10 C ATOM 0 H PHE A 54 -6.369 -1.923 5.227 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.815 -1.376 2.732 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.401 0.252 5.259 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.331 0.805 3.987 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.817 -0.456 4.542 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.217 1.960 2.123 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.777 0.410 3.298 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.178 2.811 0.870 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.459 2.039 1.460 1.00 0.10 H new ATOM 849 N LEU A 55 -2.571 -1.987 3.722 1.00 0.09 N ATOM 850 CA LEU A 55 -1.240 -2.369 4.315 1.00 0.11 C ATOM 851 C LEU A 55 -0.222 -1.278 4.033 1.00 0.10 C ATOM 852 O LEU A 55 -0.168 -0.731 2.949 1.00 0.10 O ATOM 853 CB LEU A 55 -0.707 -3.695 3.727 1.00 0.12 C ATOM 854 CG LEU A 55 -1.521 -4.902 4.233 1.00 0.15 C ATOM 855 CD1 LEU A 55 -3.012 -4.718 3.946 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.015 -6.181 3.554 1.00 0.22 C ATOM 0 H LEU A 55 -2.603 -1.998 2.703 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.387 -2.496 5.387 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.750 -3.656 2.639 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.341 -3.821 4.000 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.389 -4.980 5.312 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.563 -5.584 4.313 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.371 -3.820 4.448 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.166 -4.619 2.872 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.590 -7.035 3.912 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.133 -6.091 2.474 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.038 -6.328 3.793 1.00 0.22 H new ATOM 868 N GLU A 56 0.614 -0.985 4.998 1.00 0.12 N ATOM 869 CA GLU A 56 1.672 0.044 4.801 1.00 0.13 C ATOM 870 C GLU A 56 3.002 -0.694 4.759 1.00 0.13 C ATOM 871 O GLU A 56 3.279 -1.521 5.605 1.00 0.14 O ATOM 872 CB GLU A 56 1.661 1.026 5.975 1.00 0.15 C ATOM 873 CG GLU A 56 2.629 2.180 5.692 1.00 0.17 C ATOM 874 CD GLU A 56 2.801 3.020 6.961 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.440 2.538 7.881 1.00 1.13 O ATOM 876 OE2 GLU A 56 2.288 4.128 6.992 1.00 1.05 O ATOM 0 H GLU A 56 0.606 -1.420 5.920 1.00 0.12 H new ATOM 0 HA GLU A 56 1.507 0.607 3.882 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.654 1.413 6.129 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.949 0.514 6.893 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.593 1.789 5.367 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.247 2.800 4.881 1.00 0.17 H new ATOM 883 N VAL A 57 3.813 -0.430 3.764 1.00 0.12 N ATOM 884 CA VAL A 57 5.122 -1.147 3.636 1.00 0.12 C ATOM 885 C VAL A 57 6.276 -0.142 3.528 1.00 0.11 C ATOM 886 O VAL A 57 6.193 0.848 2.827 1.00 0.13 O ATOM 887 CB VAL A 57 5.088 -2.008 2.375 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.374 -2.818 2.286 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.895 -2.957 2.446 1.00 0.14 C ATOM 0 H VAL A 57 3.625 0.254 3.031 1.00 0.12 H new ATOM 0 HA VAL A 57 5.279 -1.767 4.518 1.00 0.12 H new ATOM 0 HB VAL A 57 4.996 -1.370 1.496 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.354 -3.434 1.387 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.228 -2.142 2.244 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.462 -3.459 3.163 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.867 -3.574 1.548 1.00 0.14 H new ATOM 0 HG22 VAL A 57 3.991 -3.597 3.323 1.00 0.14 H new ATOM 0 HG23 VAL A 57 2.974 -2.379 2.518 1.00 0.14 H new ATOM 899 N ASP A 58 7.350 -0.399 4.227 1.00 0.10 N ATOM 900 CA ASP A 58 8.533 0.515 4.199 1.00 0.09 C ATOM 901 C ASP A 58 9.585 -0.033 3.238 1.00 0.09 C ATOM 902 O ASP A 58 10.080 -1.129 3.415 1.00 0.09 O ATOM 903 CB ASP A 58 9.131 0.566 5.598 1.00 0.10 C ATOM 904 CG ASP A 58 10.182 1.675 5.668 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.555 2.179 4.623 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.592 2.004 6.768 1.00 1.02 O ATOM 0 H ASP A 58 7.460 -1.217 4.826 1.00 0.10 H new ATOM 0 HA ASP A 58 8.225 1.508 3.872 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.347 0.748 6.333 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.584 -0.394 5.846 1.00 0.10 H new ATOM 911 N VAL A 59 9.961 0.721 2.241 1.00 0.09 N ATOM 912 CA VAL A 59 11.002 0.221 1.300 1.00 0.10 C ATOM 913 C VAL A 59 12.334 0.144 2.040 1.00 0.11 C ATOM 914 O VAL A 59 13.269 -0.492 1.595 1.00 0.12 O ATOM 915 CB VAL A 59 11.143 1.183 0.118 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.838 1.209 -0.667 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.457 2.590 0.624 1.00 0.16 C ATOM 0 H VAL A 59 9.597 1.652 2.039 1.00 0.09 H new ATOM 0 HA VAL A 59 10.715 -0.763 0.929 1.00 0.10 H new ATOM 0 HB VAL A 59 11.956 0.845 -0.525 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.934 1.893 -1.510 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.615 0.208 -1.036 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.029 1.545 -0.018 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.556 3.268 -0.224 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.649 2.933 1.271 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.390 2.574 1.187 1.00 0.16 H new ATOM 927 N ASP A 60 12.435 0.819 3.159 1.00 0.10 N ATOM 928 CA ASP A 60 13.716 0.816 3.933 1.00 0.12 C ATOM 929 C ASP A 60 13.711 -0.262 5.033 1.00 0.13 C ATOM 930 O ASP A 60 14.696 -0.949 5.224 1.00 0.15 O ATOM 931 CB ASP A 60 13.900 2.203 4.555 1.00 0.14 C ATOM 932 CG ASP A 60 14.454 3.167 3.500 1.00 0.16 C ATOM 933 OD1 ASP A 60 14.398 2.827 2.331 1.00 1.07 O ATOM 934 OD2 ASP A 60 14.942 4.216 3.882 1.00 1.08 O ATOM 0 H ASP A 60 11.684 1.373 3.571 1.00 0.10 H new ATOM 0 HA ASP A 60 14.541 0.584 3.259 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.948 2.572 4.936 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.581 2.145 5.404 1.00 0.14 H new ATOM 939 N ASP A 61 12.625 -0.436 5.749 1.00 0.13 N ATOM 940 CA ASP A 61 12.597 -1.494 6.823 1.00 0.15 C ATOM 941 C ASP A 61 11.948 -2.746 6.250 1.00 0.14 C ATOM 942 O ASP A 61 12.021 -3.821 6.816 1.00 0.19 O ATOM 943 CB ASP A 61 11.781 -1.013 8.029 1.00 0.16 C ATOM 944 CG ASP A 61 12.463 0.205 8.657 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.501 0.602 8.155 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.936 0.720 9.631 1.00 1.07 O ATOM 0 H ASP A 61 11.763 0.099 5.642 1.00 0.13 H new ATOM 0 HA ASP A 61 13.615 -1.703 7.151 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.769 -0.755 7.717 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.694 -1.813 8.764 1.00 0.16 H new ATOM 951 N ALA A 62 11.312 -2.601 5.122 1.00 0.11 N ATOM 952 CA ALA A 62 10.641 -3.748 4.451 1.00 0.12 C ATOM 953 C ALA A 62 11.206 -3.831 3.034 1.00 0.11 C ATOM 954 O ALA A 62 10.507 -4.108 2.081 1.00 0.12 O ATOM 955 CB ALA A 62 9.119 -3.506 4.429 1.00 0.14 C ATOM 0 H ALA A 62 11.227 -1.714 4.626 1.00 0.11 H new ATOM 0 HA ALA A 62 10.820 -4.685 4.978 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.624 -4.344 3.938 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.750 -3.415 5.451 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.904 -2.588 3.883 1.00 0.14 H new ATOM 961 N GLN A 63 12.476 -3.574 2.900 1.00 0.11 N ATOM 962 CA GLN A 63 13.112 -3.607 1.555 1.00 0.12 C ATOM 963 C GLN A 63 12.957 -5.007 0.967 1.00 0.12 C ATOM 964 O GLN A 63 13.010 -5.199 -0.229 1.00 0.14 O ATOM 965 CB GLN A 63 14.599 -3.254 1.694 1.00 0.13 C ATOM 966 CG GLN A 63 15.337 -4.377 2.434 1.00 0.15 C ATOM 967 CD GLN A 63 16.724 -3.886 2.855 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.533 -3.526 2.022 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.034 -3.858 4.124 1.00 1.43 N ATOM 0 H GLN A 63 13.104 -3.341 3.669 1.00 0.11 H new ATOM 0 HA GLN A 63 12.634 -2.885 0.893 1.00 0.12 H new ATOM 0 HB2 GLN A 63 15.040 -3.106 0.708 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.709 -2.315 2.237 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.767 -4.685 3.311 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.429 -5.252 1.790 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.354 -4.160 4.822 1.00 1.43 H new ATOM 0 HE22 GLN A 63 17.956 -3.534 4.417 1.00 1.43 H new ATOM 978 N ASP A 64 12.747 -5.988 1.798 1.00 0.13 N ATOM 979 CA ASP A 64 12.571 -7.369 1.282 1.00 0.13 C ATOM 980 C ASP A 64 11.295 -7.427 0.444 1.00 0.15 C ATOM 981 O ASP A 64 11.246 -8.070 -0.585 1.00 0.16 O ATOM 982 CB ASP A 64 12.461 -8.347 2.456 1.00 0.17 C ATOM 983 CG ASP A 64 11.401 -7.852 3.441 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.245 -8.180 3.244 1.00 1.02 O ATOM 985 OD2 ASP A 64 11.758 -7.146 4.365 1.00 1.05 O ATOM 0 H ASP A 64 12.690 -5.891 2.812 1.00 0.13 H new ATOM 0 HA ASP A 64 13.428 -7.645 0.668 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.197 -9.340 2.091 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.424 -8.437 2.958 1.00 0.17 H new ATOM 990 N VAL A 65 10.260 -6.759 0.879 1.00 0.17 N ATOM 991 CA VAL A 65 8.985 -6.781 0.113 1.00 0.22 C ATOM 992 C VAL A 65 9.124 -5.927 -1.148 1.00 0.22 C ATOM 993 O VAL A 65 8.684 -6.304 -2.218 1.00 0.26 O ATOM 994 CB VAL A 65 7.864 -6.192 0.975 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.508 -6.582 0.381 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.972 -6.725 2.400 1.00 0.32 C ATOM 0 H VAL A 65 10.245 -6.200 1.732 1.00 0.17 H new ATOM 0 HA VAL A 65 8.753 -7.811 -0.159 1.00 0.22 H new ATOM 0 HB VAL A 65 7.955 -5.106 0.993 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.709 -6.164 0.993 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.430 -6.192 -0.634 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.419 -7.668 0.360 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.172 -6.302 3.008 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.885 -7.811 2.390 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.936 -6.442 2.822 1.00 0.32 H new ATOM 1006 N ALA A 66 9.706 -4.767 -1.024 1.00 0.19 N ATOM 1007 CA ALA A 66 9.850 -3.877 -2.207 1.00 0.22 C ATOM 1008 C ALA A 66 10.886 -4.437 -3.182 1.00 0.23 C ATOM 1009 O ALA A 66 10.726 -4.355 -4.382 1.00 0.26 O ATOM 1010 CB ALA A 66 10.265 -2.482 -1.743 1.00 0.25 C ATOM 0 H ALA A 66 10.088 -4.397 -0.153 1.00 0.19 H new ATOM 0 HA ALA A 66 8.893 -3.819 -2.725 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.371 -1.827 -2.608 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.504 -2.079 -1.075 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.216 -2.542 -1.215 1.00 0.25 H new ATOM 1016 N SER A 67 11.952 -5.001 -2.683 1.00 0.21 N ATOM 1017 CA SER A 67 12.986 -5.558 -3.599 1.00 0.23 C ATOM 1018 C SER A 67 12.359 -6.664 -4.447 1.00 0.23 C ATOM 1019 O SER A 67 12.716 -6.861 -5.591 1.00 0.24 O ATOM 1020 CB SER A 67 14.141 -6.137 -2.779 1.00 0.23 C ATOM 1021 OG SER A 67 13.655 -7.195 -1.964 1.00 0.22 O ATOM 0 H SER A 67 12.151 -5.100 -1.687 1.00 0.21 H new ATOM 0 HA SER A 67 13.366 -4.767 -4.246 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.925 -6.504 -3.442 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.587 -5.360 -2.158 1.00 0.23 H new ATOM 0 HG SER A 67 13.193 -6.822 -1.184 1.00 0.22 H new ATOM 1027 N GLU A 68 11.418 -7.379 -3.894 1.00 0.23 N ATOM 1028 CA GLU A 68 10.755 -8.472 -4.654 1.00 0.25 C ATOM 1029 C GLU A 68 9.981 -7.895 -5.843 1.00 0.22 C ATOM 1030 O GLU A 68 9.956 -8.468 -6.914 1.00 0.24 O ATOM 1031 CB GLU A 68 9.789 -9.205 -3.720 1.00 0.29 C ATOM 1032 CG GLU A 68 9.176 -10.410 -4.440 1.00 0.32 C ATOM 1033 CD GLU A 68 8.140 -11.075 -3.531 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.384 -10.355 -2.904 1.00 2.06 O ATOM 1035 OE2 GLU A 68 8.123 -12.295 -3.480 1.00 1.96 O ATOM 0 H GLU A 68 11.079 -7.250 -2.941 1.00 0.23 H new ATOM 0 HA GLU A 68 11.509 -9.163 -5.031 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.316 -9.535 -2.825 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.001 -8.527 -3.394 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.707 -10.091 -5.371 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.956 -11.124 -4.704 1.00 0.32 H new ATOM 1042 N ALA A 69 9.328 -6.779 -5.655 1.00 0.20 N ATOM 1043 CA ALA A 69 8.528 -6.179 -6.766 1.00 0.20 C ATOM 1044 C ALA A 69 9.400 -5.261 -7.625 1.00 0.19 C ATOM 1045 O ALA A 69 8.921 -4.644 -8.554 1.00 0.20 O ATOM 1046 CB ALA A 69 7.372 -5.373 -6.174 1.00 0.23 C ATOM 0 H ALA A 69 9.313 -6.256 -4.780 1.00 0.20 H new ATOM 0 HA ALA A 69 8.142 -6.981 -7.395 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.785 -4.933 -6.980 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.737 -6.030 -5.580 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.768 -4.580 -5.539 1.00 0.23 H new ATOM 1052 N GLU A 70 10.663 -5.151 -7.320 1.00 0.18 N ATOM 1053 CA GLU A 70 11.552 -4.258 -8.124 1.00 0.18 C ATOM 1054 C GLU A 70 10.977 -2.849 -8.143 1.00 0.17 C ATOM 1055 O GLU A 70 10.848 -2.242 -9.186 1.00 0.18 O ATOM 1056 CB GLU A 70 11.680 -4.743 -9.571 1.00 0.22 C ATOM 1057 CG GLU A 70 12.327 -6.122 -9.611 1.00 0.24 C ATOM 1058 CD GLU A 70 13.764 -6.042 -9.088 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.293 -4.943 -9.024 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.313 -7.083 -8.762 1.00 2.02 O ATOM 0 H GLU A 70 11.120 -5.639 -6.550 1.00 0.18 H new ATOM 0 HA GLU A 70 12.538 -4.271 -7.659 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.695 -4.782 -10.037 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.278 -4.037 -10.147 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.750 -6.821 -9.006 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.324 -6.505 -10.632 1.00 0.24 H new ATOM 1067 N VAL A 71 10.632 -2.312 -7.014 1.00 0.15 N ATOM 1068 CA VAL A 71 10.065 -0.943 -7.027 1.00 0.14 C ATOM 1069 C VAL A 71 11.145 0.021 -7.516 1.00 0.14 C ATOM 1070 O VAL A 71 12.270 -0.005 -7.057 1.00 0.16 O ATOM 1071 CB VAL A 71 9.626 -0.554 -5.614 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.896 0.789 -5.667 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.680 -1.624 -5.067 1.00 0.15 C ATOM 0 H VAL A 71 10.715 -2.752 -6.097 1.00 0.15 H new ATOM 0 HA VAL A 71 9.199 -0.901 -7.688 1.00 0.14 H new ATOM 0 HB VAL A 71 10.499 -0.472 -4.966 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.581 1.072 -4.663 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.565 1.552 -6.065 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.021 0.702 -6.311 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.365 -1.351 -4.060 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.805 -1.701 -5.713 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.195 -2.584 -5.038 1.00 0.15 H new ATOM 1083 N LYS A 72 10.810 0.858 -8.468 1.00 0.15 N ATOM 1084 CA LYS A 72 11.804 1.823 -9.022 1.00 0.16 C ATOM 1085 C LYS A 72 11.524 3.230 -8.483 1.00 0.15 C ATOM 1086 O LYS A 72 12.322 4.133 -8.648 1.00 0.16 O ATOM 1087 CB LYS A 72 11.703 1.824 -10.555 1.00 0.19 C ATOM 1088 CG LYS A 72 12.017 0.418 -11.117 1.00 0.23 C ATOM 1089 CD LYS A 72 13.532 0.193 -11.175 1.00 0.74 C ATOM 1090 CE LYS A 72 13.823 -1.089 -11.963 1.00 0.88 C ATOM 1091 NZ LYS A 72 15.292 -1.227 -12.166 1.00 1.60 N ATOM 0 H LYS A 72 9.882 0.912 -8.887 1.00 0.15 H new ATOM 0 HA LYS A 72 12.808 1.524 -8.720 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.702 2.129 -10.860 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.399 2.553 -10.971 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.553 -0.343 -10.490 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.589 0.314 -12.114 1.00 0.23 H new ATOM 0 HD2 LYS A 72 14.020 1.044 -11.650 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.939 0.114 -10.167 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.437 -1.955 -11.425 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.314 -1.060 -12.926 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 15.488 -2.097 -12.701 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 15.648 -0.407 -12.697 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 15.767 -1.274 -11.242 1.00 1.60 H new ATOM 1105 N ALA A 73 10.400 3.434 -7.840 1.00 0.13 N ATOM 1106 CA ALA A 73 10.096 4.793 -7.302 1.00 0.13 C ATOM 1107 C ALA A 73 8.999 4.727 -6.227 1.00 0.11 C ATOM 1108 O ALA A 73 8.181 3.831 -6.202 1.00 0.12 O ATOM 1109 CB ALA A 73 9.645 5.699 -8.459 1.00 0.14 C ATOM 0 H ALA A 73 9.688 2.725 -7.667 1.00 0.13 H new ATOM 0 HA ALA A 73 10.995 5.200 -6.839 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.421 6.694 -8.076 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.442 5.767 -9.200 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.753 5.279 -8.923 1.00 0.14 H new ATOM 1115 N THR A 74 8.980 5.707 -5.355 1.00 0.11 N ATOM 1116 CA THR A 74 7.952 5.777 -4.267 1.00 0.11 C ATOM 1117 C THR A 74 7.334 7.183 -4.294 1.00 0.12 C ATOM 1118 O THR A 74 7.976 8.111 -4.733 1.00 0.15 O ATOM 1119 CB THR A 74 8.645 5.564 -2.906 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.454 6.686 -2.605 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.502 4.303 -2.944 1.00 0.14 C ATOM 0 H THR A 74 9.648 6.478 -5.352 1.00 0.11 H new ATOM 0 HA THR A 74 7.187 5.014 -4.412 1.00 0.11 H new ATOM 0 HB THR A 74 7.885 5.449 -2.134 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.892 6.550 -1.739 1.00 0.15 H new ATOM 0 HG21 THR A 74 9.986 4.163 -1.978 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.872 3.441 -3.162 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.262 4.403 -3.719 1.00 0.14 H new ATOM 1129 N PRO A 75 6.129 7.372 -3.794 1.00 0.13 N ATOM 1130 CA PRO A 75 5.275 6.278 -3.234 1.00 0.10 C ATOM 1131 C PRO A 75 4.635 5.412 -4.326 1.00 0.09 C ATOM 1132 O PRO A 75 4.154 5.911 -5.324 1.00 0.10 O ATOM 1133 CB PRO A 75 4.214 7.086 -2.457 1.00 0.12 C ATOM 1134 CG PRO A 75 4.210 8.516 -3.022 1.00 0.15 C ATOM 1135 CD PRO A 75 5.537 8.737 -3.763 1.00 0.16 C ATOM 0 HA PRO A 75 5.830 5.561 -2.629 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.230 6.629 -2.565 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.445 7.096 -1.392 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.367 8.656 -3.699 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.097 9.243 -2.218 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.379 9.132 -4.766 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.180 9.445 -3.239 1.00 0.16 H new ATOM 1143 N THR A 76 4.589 4.118 -4.113 1.00 0.09 N ATOM 1144 CA THR A 76 3.951 3.197 -5.106 1.00 0.09 C ATOM 1145 C THR A 76 2.873 2.388 -4.401 1.00 0.10 C ATOM 1146 O THR A 76 3.058 1.903 -3.302 1.00 0.12 O ATOM 1147 CB THR A 76 4.997 2.245 -5.704 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.002 3.002 -6.357 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.324 1.301 -6.707 1.00 0.13 C ATOM 0 H THR A 76 4.970 3.657 -3.286 1.00 0.09 H new ATOM 0 HA THR A 76 3.514 3.785 -5.914 1.00 0.09 H new ATOM 0 HB THR A 76 5.449 1.654 -4.907 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.870 2.825 -5.937 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.070 0.627 -7.129 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.555 0.719 -6.199 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.868 1.885 -7.507 1.00 0.13 H new ATOM 1157 N PHE A 77 1.738 2.262 -5.025 1.00 0.10 N ATOM 1158 CA PHE A 77 0.609 1.496 -4.418 1.00 0.10 C ATOM 1159 C PHE A 77 0.353 0.241 -5.248 1.00 0.10 C ATOM 1160 O PHE A 77 0.233 0.304 -6.454 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.646 2.374 -4.425 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.388 3.622 -3.618 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.662 3.641 -2.245 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.124 4.763 -4.244 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.422 4.802 -1.497 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.363 5.925 -3.499 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.090 5.945 -2.125 1.00 0.19 C ATOM 0 H PHE A 77 1.539 2.661 -5.942 1.00 0.10 H new ATOM 0 HA PHE A 77 0.857 1.213 -3.395 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.913 2.638 -5.448 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.490 1.825 -4.007 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.059 2.760 -1.762 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.335 4.748 -5.303 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.632 4.815 -0.438 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.758 6.806 -3.984 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.274 6.841 -1.550 1.00 0.19 H new ATOM 1177 N GLN A 78 0.240 -0.896 -4.606 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.034 -2.169 -5.345 1.00 0.09 C ATOM 1179 C GLN A 78 -1.312 -2.767 -4.796 1.00 0.08 C ATOM 1180 O GLN A 78 -1.564 -2.739 -3.607 1.00 0.09 O ATOM 1181 CB GLN A 78 1.108 -3.173 -5.145 1.00 0.09 C ATOM 1182 CG GLN A 78 2.357 -2.690 -5.882 1.00 0.12 C ATOM 1183 CD GLN A 78 3.408 -3.801 -5.908 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.083 -4.966 -5.800 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.667 -3.485 -6.048 1.00 0.29 N ATOM 0 H GLN A 78 0.326 -0.998 -3.595 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.124 -1.954 -6.410 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.323 -3.287 -4.082 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.812 -4.154 -5.517 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.099 -2.398 -6.900 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.762 -1.806 -5.389 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.940 -2.506 -6.139 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.377 -4.217 -6.067 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.126 -3.301 -5.655 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.413 -3.905 -5.205 1.00 0.07 C ATOM 1196 C PHE A 79 -3.342 -5.415 -5.296 1.00 0.07 C ATOM 1197 O PHE A 79 -2.920 -5.966 -6.294 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.532 -3.391 -6.099 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.666 -1.914 -5.850 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.799 -1.020 -6.486 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.632 -1.441 -4.958 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.901 0.350 -6.236 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.732 -0.069 -4.700 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.866 0.827 -5.339 1.00 0.12 C ATOM 0 H PHE A 79 -1.957 -3.347 -6.660 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.604 -3.627 -4.168 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.305 -3.584 -7.147 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.467 -3.904 -5.876 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.050 -1.389 -7.171 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.301 -2.133 -4.468 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.237 1.041 -6.733 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.476 0.298 -4.009 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.942 1.886 -5.140 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.773 -6.086 -4.259 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.768 -7.574 -4.246 1.00 0.08 C ATOM 1216 C PHE A 80 -5.167 -8.072 -3.907 1.00 0.09 C ATOM 1217 O PHE A 80 -5.904 -7.436 -3.179 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.773 -8.087 -3.199 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.357 -7.865 -3.679 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.694 -6.654 -3.419 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.696 -8.886 -4.376 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.623 -6.472 -3.860 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.621 -8.701 -4.813 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.281 -7.494 -4.555 1.00 0.15 C ATOM 0 H PHE A 80 -4.134 -5.655 -3.408 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.470 -7.944 -5.227 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.930 -7.570 -2.252 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.941 -9.148 -3.015 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.198 -5.865 -2.880 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.204 -9.818 -4.576 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.133 -5.540 -3.663 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.128 -9.490 -5.349 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.297 -7.351 -4.892 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.539 -9.208 -4.427 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.892 -9.760 -4.139 1.00 0.12 C ATOM 1236 C LYS A 81 -6.785 -11.280 -4.161 1.00 0.11 C ATOM 1237 O LYS A 81 -6.269 -11.851 -5.098 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.866 -9.273 -5.217 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.302 -9.428 -4.725 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.273 -9.029 -5.839 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.687 -8.929 -5.262 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.638 -8.547 -6.343 1.00 1.68 N ATOM 0 H LYS A 81 -4.961 -9.781 -5.042 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.258 -9.430 -3.167 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.665 -8.229 -5.457 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.723 -9.844 -6.134 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.484 -10.459 -4.422 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.465 -8.804 -3.846 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.976 -8.074 -6.272 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.246 -9.765 -6.642 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.981 -9.883 -4.824 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.713 -8.190 -4.462 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.599 -8.479 -5.952 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.360 -7.627 -6.741 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.620 -9.268 -7.092 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.224 -11.934 -3.125 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.105 -13.420 -3.082 1.00 0.13 C ATOM 1258 C LYS A 82 -5.624 -13.773 -3.238 1.00 0.13 C ATOM 1259 O LYS A 82 -5.273 -14.847 -3.681 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.922 -14.076 -4.216 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.415 -13.798 -4.016 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.241 -14.755 -4.885 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.712 -14.329 -4.874 1.00 0.31 C ATOM 1264 NZ LYS A 82 -11.874 -13.067 -5.652 1.00 1.22 N ATOM 0 H LYS A 82 -7.659 -11.508 -2.307 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.497 -13.793 -2.136 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.597 -13.687 -5.181 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.743 -15.151 -4.229 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.681 -13.924 -2.966 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.641 -12.765 -4.280 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.860 -14.753 -5.906 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.146 -15.774 -4.511 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.332 -15.115 -5.305 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.051 -14.182 -3.848 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -12.869 -12.958 -5.933 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.590 -12.258 -5.064 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.276 -13.104 -6.502 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.752 -12.865 -2.871 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.290 -13.121 -2.988 1.00 0.16 C ATOM 1280 C GLY A 83 -2.833 -12.911 -4.435 1.00 0.16 C ATOM 1281 O GLY A 83 -1.769 -13.351 -4.822 1.00 0.23 O ATOM 0 H GLY A 83 -4.998 -11.950 -2.492 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.742 -12.452 -2.325 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.065 -14.139 -2.671 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.633 -12.241 -5.238 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.257 -12.002 -6.673 1.00 0.15 C ATOM 1287 C GLN A 84 -3.086 -10.500 -6.926 1.00 0.12 C ATOM 1288 O GLN A 84 -3.913 -9.711 -6.532 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.388 -12.498 -7.589 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.673 -13.990 -7.360 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.462 -14.836 -7.751 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -3.484 -15.519 -8.755 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.409 -14.824 -6.991 1.00 2.07 N ATOM 0 H GLN A 84 -4.532 -11.849 -4.960 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.327 -12.532 -6.880 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.292 -11.919 -7.401 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.115 -12.333 -8.631 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.920 -14.162 -6.312 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.540 -14.294 -7.946 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.395 -14.249 -6.149 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.596 -15.390 -7.236 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.047 -10.106 -7.624 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.847 -8.651 -7.936 1.00 0.12 C ATOM 1304 C LYS A 85 -2.713 -8.296 -9.136 1.00 0.14 C ATOM 1305 O LYS A 85 -2.599 -8.895 -10.189 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.375 -8.408 -8.283 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.124 -6.916 -8.523 1.00 0.20 C ATOM 1308 CD LYS A 85 1.323 -6.725 -8.984 1.00 0.28 C ATOM 1309 CE LYS A 85 1.587 -5.250 -9.301 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.885 -5.128 -10.024 1.00 1.82 N ATOM 0 H LYS A 85 -1.327 -10.728 -7.992 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.122 -8.038 -7.078 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.260 -8.765 -7.472 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.106 -8.977 -9.173 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.813 -6.534 -9.276 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.306 -6.351 -7.609 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.008 -7.066 -8.207 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.514 -7.334 -9.867 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.778 -4.846 -9.910 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.614 -4.667 -8.380 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.269 -4.171 -9.889 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.558 -5.827 -9.650 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.735 -5.301 -11.038 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.592 -7.333 -8.983 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.490 -6.937 -10.108 1.00 0.18 C ATOM 1326 C VAL A 86 -4.337 -5.445 -10.428 1.00 0.17 C ATOM 1327 O VAL A 86 -5.115 -4.898 -11.182 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.946 -7.219 -9.713 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.157 -8.732 -9.568 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.261 -6.540 -8.373 1.00 0.26 C ATOM 0 H VAL A 86 -3.724 -6.803 -8.121 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.217 -7.514 -10.992 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.606 -6.827 -10.487 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.192 -8.930 -9.287 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.938 -9.222 -10.516 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.491 -9.120 -8.797 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.296 -6.743 -8.097 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.596 -6.930 -7.602 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.115 -5.464 -8.467 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.364 -4.766 -9.872 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.241 -3.308 -10.199 1.00 0.17 C ATOM 1342 C GLY A 87 -2.082 -2.642 -9.449 1.00 0.12 C ATOM 1343 O GLY A 87 -1.714 -3.034 -8.363 1.00 0.17 O ATOM 0 H GLY A 87 -2.669 -5.141 -9.226 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.093 -3.189 -11.272 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.173 -2.801 -9.948 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.524 -1.609 -10.034 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.403 -0.871 -9.382 1.00 0.13 C ATOM 1349 C GLU A 88 -0.214 0.474 -10.074 1.00 0.11 C ATOM 1350 O GLU A 88 -0.456 0.616 -11.256 1.00 0.14 O ATOM 1351 CB GLU A 88 0.901 -1.681 -9.477 1.00 0.21 C ATOM 1352 CG GLU A 88 2.098 -0.825 -9.017 1.00 0.58 C ATOM 1353 CD GLU A 88 3.367 -1.680 -9.010 1.00 1.13 C ATOM 1354 OE1 GLU A 88 3.244 -2.888 -9.123 1.00 1.93 O ATOM 1355 OE2 GLU A 88 4.440 -1.110 -8.888 1.00 1.87 O ATOM 0 H GLU A 88 -1.803 -1.244 -10.945 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.646 -0.718 -8.331 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.827 -2.576 -8.859 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.056 -2.014 -10.503 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.226 0.028 -9.683 1.00 0.58 H new ATOM 0 HG3 GLU A 88 1.911 -0.426 -8.020 1.00 0.58 H new ATOM 1362 N PHE A 89 0.264 1.448 -9.352 1.00 0.10 N ATOM 1363 CA PHE A 89 0.528 2.776 -9.983 1.00 0.09 C ATOM 1364 C PHE A 89 1.451 3.583 -9.065 1.00 0.10 C ATOM 1365 O PHE A 89 1.588 3.290 -7.891 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.778 3.548 -10.213 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.358 4.024 -8.904 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.834 5.177 -8.307 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.419 3.342 -8.298 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.369 5.655 -7.108 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.954 3.817 -7.091 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.428 4.977 -6.501 1.00 0.14 C ATOM 0 H PHE A 89 0.483 1.386 -8.358 1.00 0.10 H new ATOM 0 HA PHE A 89 1.001 2.619 -10.953 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.591 4.402 -10.865 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.498 2.909 -10.724 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.013 5.699 -8.775 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.825 2.453 -8.758 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.964 6.547 -6.652 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.769 3.291 -6.617 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.844 5.346 -5.575 1.00 0.14 H new ATOM 1382 N SER A 90 2.087 4.591 -9.600 1.00 0.10 N ATOM 1383 CA SER A 90 3.019 5.440 -8.787 1.00 0.10 C ATOM 1384 C SER A 90 2.627 6.903 -8.904 1.00 0.09 C ATOM 1385 O SER A 90 1.942 7.307 -9.825 1.00 0.11 O ATOM 1386 CB SER A 90 4.448 5.286 -9.301 1.00 0.11 C ATOM 1387 OG SER A 90 4.501 5.665 -10.670 1.00 0.12 O ATOM 0 H SER A 90 2.002 4.869 -10.578 1.00 0.10 H new ATOM 0 HA SER A 90 2.957 5.118 -7.748 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.126 5.906 -8.714 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.779 4.254 -9.185 1.00 0.11 H new ATOM 0 HG SER A 90 5.418 5.568 -11.001 1.00 0.12 H new ATOM 1393 N GLY A 91 3.065 7.700 -7.971 1.00 0.09 N ATOM 1394 CA GLY A 91 2.742 9.157 -7.998 1.00 0.09 C ATOM 1395 C GLY A 91 2.084 9.540 -6.678 1.00 0.10 C ATOM 1396 O GLY A 91 1.307 8.790 -6.117 1.00 0.12 O ATOM 0 H GLY A 91 3.639 7.403 -7.182 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.649 9.742 -8.151 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.075 9.380 -8.831 1.00 0.09 H new ATOM 1400 N ALA A 92 2.388 10.695 -6.168 1.00 0.11 N ATOM 1401 CA ALA A 92 1.782 11.111 -4.879 1.00 0.14 C ATOM 1402 C ALA A 92 0.358 11.629 -5.117 1.00 0.13 C ATOM 1403 O ALA A 92 0.073 12.787 -4.881 1.00 0.17 O ATOM 1404 CB ALA A 92 2.636 12.228 -4.275 1.00 0.18 C ATOM 0 H ALA A 92 3.029 11.369 -6.587 1.00 0.11 H new ATOM 0 HA ALA A 92 1.741 10.260 -4.199 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.203 12.545 -3.326 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.649 11.861 -4.107 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.666 13.075 -4.961 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.551 10.776 -5.553 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.968 11.220 -5.772 1.00 0.14 C ATOM 1412 C ASN A 93 -2.872 10.392 -4.861 1.00 0.13 C ATOM 1413 O ASN A 93 -3.199 9.261 -5.153 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.374 10.999 -7.230 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.780 11.568 -7.444 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.757 10.983 -7.040 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.922 12.708 -8.055 1.00 0.75 N ATOM 0 H ASN A 93 -0.369 9.795 -5.765 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.062 12.282 -5.544 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.664 11.487 -7.897 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.357 9.936 -7.469 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.853 13.102 -8.190 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.102 13.208 -8.399 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.271 10.947 -3.756 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.137 10.193 -2.807 1.00 0.15 C ATOM 1426 C LYS A 94 -5.534 9.945 -3.394 1.00 0.15 C ATOM 1427 O LYS A 94 -6.150 8.934 -3.126 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.274 11.008 -1.523 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.714 12.461 -1.845 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.543 13.442 -1.691 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.092 14.867 -1.692 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.978 15.839 -1.509 1.00 1.06 N ATOM 0 H LYS A 94 -3.035 11.896 -3.465 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.676 9.225 -2.610 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.004 10.539 -0.864 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.324 11.019 -0.990 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.101 12.510 -2.863 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.527 12.754 -1.180 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.005 13.245 -0.764 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.831 13.311 -2.506 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.610 15.066 -2.630 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.824 14.985 -0.893 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.358 16.807 -1.511 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.502 15.655 -0.603 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.295 15.734 -2.286 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.033 10.841 -4.198 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.384 10.637 -4.791 1.00 0.15 C ATOM 1448 C GLU A 95 -7.361 9.432 -5.729 1.00 0.15 C ATOM 1449 O GLU A 95 -8.353 8.758 -5.929 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.798 11.886 -5.572 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.879 13.086 -4.626 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.024 12.873 -3.633 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.017 12.283 -4.025 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.890 13.305 -2.500 1.00 1.61 O ATOM 0 H GLU A 95 -5.565 11.705 -4.470 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.102 10.456 -3.991 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.078 12.085 -6.366 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.763 11.723 -6.051 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.937 13.206 -4.091 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -8.042 14.001 -5.195 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.233 9.176 -6.319 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.107 8.039 -7.265 1.00 0.15 C ATOM 1463 C LYS A 96 -6.430 6.745 -6.530 1.00 0.14 C ATOM 1464 O LYS A 96 -7.058 5.852 -7.062 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.669 8.009 -7.775 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.530 7.025 -8.931 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.216 7.302 -9.667 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.098 6.366 -10.875 1.00 0.82 C ATOM 1469 NZ LYS A 96 -1.768 6.548 -11.522 1.00 1.45 N ATOM 0 H LYS A 96 -5.378 9.716 -6.184 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.795 8.149 -8.103 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.372 9.006 -8.101 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.996 7.725 -6.966 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.544 6.001 -8.557 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.373 7.126 -9.615 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.183 8.341 -9.994 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.372 7.152 -8.994 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.221 5.330 -10.558 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -3.893 6.577 -11.590 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -1.607 5.782 -12.207 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -1.744 7.463 -12.015 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.023 6.526 -10.797 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.011 6.643 -5.302 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.299 5.417 -4.519 1.00 0.13 C ATOM 1485 C LEU A 97 -7.803 5.204 -4.481 1.00 0.14 C ATOM 1486 O LEU A 97 -8.298 4.097 -4.548 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.833 5.617 -3.069 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.305 5.587 -2.961 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.891 6.228 -1.628 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.787 4.124 -3.025 1.00 0.19 C ATOM 0 H LEU A 97 -5.480 7.359 -4.807 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.788 4.570 -4.976 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.207 6.570 -2.694 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.259 4.837 -2.438 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.871 6.142 -3.793 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.805 6.213 -1.539 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.243 7.259 -1.595 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.331 5.668 -0.803 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.700 4.119 -2.947 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.212 3.551 -2.201 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.085 3.674 -3.972 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.526 6.269 -4.343 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.007 6.158 -4.250 1.00 0.15 C ATOM 1504 C GLU A 98 -10.582 5.547 -5.526 1.00 0.16 C ATOM 1505 O GLU A 98 -11.476 4.728 -5.480 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.597 7.555 -4.032 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.112 7.459 -3.808 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.695 8.866 -3.677 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -11.920 9.795 -3.515 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -13.906 8.992 -3.738 1.00 2.00 O ATOM 0 H GLU A 98 -8.158 7.219 -4.290 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.266 5.509 -3.413 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.124 8.028 -3.171 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.389 8.185 -4.897 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.581 6.935 -4.640 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.322 6.881 -2.908 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.092 5.949 -6.663 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.631 5.400 -7.941 1.00 0.17 C ATOM 1519 C ALA A 99 -10.272 3.924 -8.104 1.00 0.16 C ATOM 1520 O ALA A 99 -11.087 3.124 -8.518 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.059 6.190 -9.117 1.00 0.19 C ATOM 0 H ALA A 99 -9.342 6.633 -6.765 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.717 5.491 -7.919 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.453 5.789 -10.051 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.343 7.238 -9.024 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -8.972 6.107 -9.116 1.00 0.19 H new ATOM 1527 N THR A 100 -9.058 3.554 -7.819 1.00 0.16 N ATOM 1528 CA THR A 100 -8.664 2.128 -8.000 1.00 0.16 C ATOM 1529 C THR A 100 -9.433 1.245 -7.012 1.00 0.15 C ATOM 1530 O THR A 100 -9.888 0.169 -7.349 1.00 0.15 O ATOM 1531 CB THR A 100 -7.161 1.980 -7.783 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.477 2.940 -8.577 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.730 0.578 -8.204 1.00 0.20 C ATOM 0 H THR A 100 -8.324 4.171 -7.471 1.00 0.16 H new ATOM 0 HA THR A 100 -8.908 1.812 -9.014 1.00 0.16 H new ATOM 0 HB THR A 100 -6.923 2.138 -6.731 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.511 2.850 -8.439 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.657 0.466 -8.051 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.261 -0.161 -7.604 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.964 0.426 -9.258 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.602 1.700 -5.804 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.365 0.896 -4.803 1.00 0.13 C ATOM 1543 C ILE A 101 -11.778 0.706 -5.332 1.00 0.14 C ATOM 1544 O ILE A 101 -12.291 -0.392 -5.384 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.414 1.661 -3.474 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.019 1.664 -2.828 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.423 1.004 -2.521 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.921 2.804 -1.808 1.00 0.16 C ATOM 0 H ILE A 101 -9.246 2.593 -5.463 1.00 0.14 H new ATOM 0 HA ILE A 101 -9.888 -0.071 -4.642 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.727 2.687 -3.668 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.833 0.708 -2.338 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.253 1.783 -3.595 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.449 1.556 -1.581 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.414 1.015 -2.976 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.124 -0.026 -2.328 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.930 2.801 -1.353 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.087 3.757 -2.310 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.676 2.666 -1.034 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.394 1.777 -5.742 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.768 1.698 -6.300 1.00 0.20 C ATOM 1562 C ASN A 102 -13.748 0.792 -7.524 1.00 0.19 C ATOM 1563 O ASN A 102 -14.689 0.081 -7.810 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.227 3.095 -6.713 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.645 3.020 -7.282 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -15.870 2.399 -8.302 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.613 3.645 -6.671 1.00 0.55 N ATOM 0 H ASN A 102 -11.997 2.716 -5.713 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.452 1.298 -5.551 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.204 3.766 -5.854 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.546 3.507 -7.458 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.560 3.613 -7.049 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.423 4.166 -5.815 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.680 0.842 -8.263 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.576 0.019 -9.491 1.00 0.18 C ATOM 1576 C GLU A 103 -12.513 -1.466 -9.123 1.00 0.16 C ATOM 1577 O GLU A 103 -13.094 -2.301 -9.786 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.284 0.403 -10.216 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.253 -0.240 -11.606 1.00 0.21 C ATOM 1580 CD GLU A 103 -9.867 -0.050 -12.230 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.045 0.606 -11.613 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -9.653 -0.562 -13.316 1.00 2.04 O ATOM 0 H GLU A 103 -11.867 1.425 -8.065 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.445 0.193 -10.126 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.216 1.487 -10.306 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.421 0.077 -9.636 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.487 -1.302 -11.532 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.014 0.210 -12.243 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.797 -1.803 -8.079 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.673 -3.239 -7.676 1.00 0.14 C ATOM 1591 C LEU A 104 -12.615 -3.572 -6.508 1.00 0.13 C ATOM 1592 O LEU A 104 -12.670 -4.704 -6.068 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.232 -3.504 -7.239 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.263 -3.219 -8.395 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.826 -3.404 -7.896 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.533 -4.179 -9.568 1.00 0.25 C ATOM 0 H LEU A 104 -11.292 -1.144 -7.487 1.00 0.14 H new ATOM 0 HA LEU A 104 -11.944 -3.863 -8.527 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -9.983 -2.876 -6.384 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.128 -4.540 -6.915 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.407 -2.196 -8.743 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.130 -3.204 -8.710 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.634 -2.712 -7.076 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.691 -4.428 -7.547 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.838 -3.965 -10.380 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.396 -5.208 -9.235 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.556 -4.045 -9.920 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.350 -2.624 -5.994 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.262 -2.948 -4.850 1.00 0.15 C ATOM 1610 C VAL A 105 -15.327 -3.946 -5.319 1.00 0.16 C ATOM 1611 O VAL A 105 -15.689 -4.808 -4.535 1.00 1.08 O ATOM 1612 CB VAL A 105 -14.951 -1.674 -4.328 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.054 -1.222 -5.303 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.570 -1.961 -2.954 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.763 -3.831 -6.452 1.00 1.08 O ATOM 0 H VAL A 105 -13.363 -1.653 -6.307 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.672 -3.382 -4.043 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.210 -0.879 -4.244 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.531 -0.320 -4.920 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.614 -1.013 -6.278 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.798 -2.012 -5.402 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.059 -1.061 -2.580 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.304 -2.762 -3.046 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.787 -2.264 -2.258 1.00 0.19 H new ATOM 1683 N LYS B 63 7.014 14.980 -5.808 1.00 0.19 N ATOM 1684 CA LYS B 63 5.868 14.027 -5.837 1.00 0.14 C ATOM 1685 C LYS B 63 6.397 12.588 -5.815 1.00 0.12 C ATOM 1686 O LYS B 63 5.672 11.660 -5.507 1.00 0.12 O ATOM 1687 CB LYS B 63 5.066 14.241 -7.127 1.00 0.17 C ATOM 1688 CG LYS B 63 4.527 15.681 -7.193 1.00 0.20 C ATOM 1689 CD LYS B 63 3.625 15.987 -5.987 1.00 0.40 C ATOM 1690 CE LYS B 63 2.683 17.149 -6.323 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.750 17.377 -5.183 1.00 1.31 N ATOM 0 HA LYS B 63 5.232 14.199 -4.969 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.698 14.043 -7.993 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.238 13.534 -7.169 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.360 16.384 -7.217 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.965 15.821 -8.117 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.046 15.103 -5.721 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.235 16.241 -5.120 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.259 18.053 -6.522 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.120 16.924 -7.229 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.111 18.165 -5.410 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.192 16.516 -5.014 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.296 17.609 -4.329 1.00 1.31 H new ATOM 1705 N ILE B 64 7.651 12.398 -6.167 1.00 0.11 N ATOM 1706 CA ILE B 64 8.261 11.016 -6.182 1.00 0.11 C ATOM 1707 C ILE B 64 9.620 11.044 -5.451 1.00 0.10 C ATOM 1708 O ILE B 64 10.379 11.980 -5.599 1.00 0.11 O ATOM 1709 CB ILE B 64 8.507 10.577 -7.637 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.171 10.362 -8.367 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.322 9.279 -7.669 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.325 9.274 -7.679 1.00 0.15 C ATOM 0 H ILE B 64 8.286 13.145 -6.447 1.00 0.11 H new ATOM 0 HA ILE B 64 7.580 10.323 -5.688 1.00 0.11 H new ATOM 0 HB ILE B 64 9.066 11.365 -8.142 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.613 11.298 -8.392 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.361 10.077 -9.402 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.489 8.980 -8.704 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.282 9.440 -7.178 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.775 8.493 -7.148 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.387 9.146 -8.220 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.874 8.332 -7.678 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.114 9.572 -6.652 1.00 0.15 H new ATOM 1724 N CYS B 65 9.953 10.014 -4.698 1.00 0.09 N ATOM 1725 CA CYS B 65 11.291 9.982 -4.013 1.00 0.10 C ATOM 1726 C CYS B 65 12.209 9.056 -4.825 1.00 0.10 C ATOM 1727 O CYS B 65 11.865 7.928 -5.112 1.00 0.11 O ATOM 1728 CB CYS B 65 11.170 9.433 -2.579 1.00 0.10 C ATOM 1729 SG CYS B 65 9.763 10.186 -1.721 1.00 0.19 S ATOM 0 H CYS B 65 9.360 9.201 -4.530 1.00 0.09 H new ATOM 0 HA CYS B 65 11.691 10.994 -3.956 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.047 8.350 -2.608 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.089 9.635 -2.028 1.00 0.10 H new ATOM 1734 N SER B 66 13.362 9.526 -5.214 1.00 0.12 N ATOM 1735 CA SER B 66 14.286 8.670 -6.026 1.00 0.14 C ATOM 1736 C SER B 66 14.998 7.640 -5.137 1.00 0.14 C ATOM 1737 O SER B 66 15.346 7.912 -4.003 1.00 0.15 O ATOM 1738 CB SER B 66 15.333 9.558 -6.692 1.00 0.18 C ATOM 1739 OG SER B 66 14.691 10.450 -7.596 1.00 0.20 O ATOM 0 H SER B 66 13.708 10.463 -5.008 1.00 0.12 H new ATOM 0 HA SER B 66 13.700 8.140 -6.777 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.882 10.121 -5.937 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.060 8.945 -7.224 1.00 0.18 H new ATOM 0 HG SER B 66 15.362 11.022 -8.023 1.00 0.20 H new ATOM 1745 N TRP B 67 15.229 6.459 -5.656 1.00 0.15 N ATOM 1746 CA TRP B 67 15.929 5.407 -4.859 1.00 0.16 C ATOM 1747 C TRP B 67 17.431 5.674 -4.874 1.00 0.19 C ATOM 1748 O TRP B 67 18.171 5.157 -4.060 1.00 0.21 O ATOM 1749 CB TRP B 67 15.638 4.026 -5.454 1.00 0.16 C ATOM 1750 CG TRP B 67 14.210 3.694 -5.195 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.162 4.413 -5.642 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.651 2.587 -4.430 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.999 3.829 -5.196 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.249 2.702 -4.446 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.217 1.508 -3.732 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.440 1.787 -3.793 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.401 0.581 -3.077 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.014 0.724 -3.107 1.00 0.16 C ATOM 0 H TRP B 67 14.962 6.179 -6.600 1.00 0.15 H new ATOM 0 HA TRP B 67 15.569 5.432 -3.830 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.839 4.025 -6.525 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.289 3.275 -5.006 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.225 5.303 -6.251 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.065 4.187 -5.397 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.290 1.393 -3.701 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.366 1.900 -3.817 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.846 -0.248 -2.546 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.386 0.008 -2.597 1.00 0.16 H new ATOM 1769 N ASN B 68 17.888 6.482 -5.787 1.00 0.23 N ATOM 1770 CA ASN B 68 19.343 6.789 -5.839 1.00 0.27 C ATOM 1771 C ASN B 68 19.752 7.347 -4.481 1.00 0.26 C ATOM 1772 O ASN B 68 20.918 7.490 -4.171 1.00 0.30 O ATOM 1773 CB ASN B 68 19.600 7.828 -6.933 1.00 0.34 C ATOM 1774 CG ASN B 68 19.352 7.180 -8.299 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.565 7.794 -9.327 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.909 5.952 -8.349 1.00 0.40 N ATOM 0 H ASN B 68 17.319 6.942 -6.498 1.00 0.23 H new ATOM 0 HA ASN B 68 19.922 5.893 -6.065 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.943 8.688 -6.799 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.624 8.196 -6.870 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.741 5.507 -9.251 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.731 5.439 -7.486 1.00 0.40 H new