USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 GLN : amide:sc= -1.6 X(o=-1.7,f=-1.5) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 142:sc= -0.0679 (180deg=-0.743) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.183 (180deg=-0.945) USER MOD Single : A 3 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.815) USER MOD Single : A 4 GLN : amide:sc= -0.0278 K(o=-0.028,f=-1.6!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= -1.03 (180deg=-1.61) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 53:sc= 0.539 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0167) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -0.974 (180deg=-2.61!) USER MOD Single : A 43 HIS : no HD1:sc= -0.523 X(o=-0.52,f=-0.058) USER MOD Single : A 44 SER OG : rot 150:sc= 0.96 USER MOD Single : A 46 SER OG : rot 100:sc= 0.169 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -117:sc= 1.22 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.74) USER MOD Single : A 63 GLN : amide:sc= -0.0216 K(o=-0.022,f=-1.9!) USER MOD Single : A 67 SER OG : rot 97:sc= 1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 76 THR OG1 : rot -60:sc= -0.481 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -4.82! K(o=-4.8!,f=-2) USER MOD Single : A 90 SER OG : rot 135:sc= 1.12 USER MOD Single : A 93 ASN : amide:sc= -4.17! K(o=-4.2!,f=-1) USER MOD Single : A 94 LYS NZ :NH3+ -119:sc= 2.06 (180deg=-0.364) USER MOD Single : A 96 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.712) USER MOD Single : A 100 THR OG1 : rot 75:sc= 0.173 USER MOD Single : A 102 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.7!) USER MOD Single : B 1 PHE N :NH3+ 157:sc= 0.00569 (180deg=0) USER MOD Single : B 5 TYR OH : rot 2:sc= -2.68 USER MOD Single : B 11 SER OG : rot -31:sc= 0.456 USER MOD Single : B 12 HIS : no HD1:sc= -0.707 X(o=-0.71,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.379 -1.448 8.786 1.00 0.73 N ATOM 2 CA MET A 1 -6.245 -2.101 9.501 1.00 0.31 C ATOM 3 C MET A 1 -5.016 -2.122 8.589 1.00 0.24 C ATOM 4 O MET A 1 -5.092 -2.497 7.436 1.00 0.21 O ATOM 5 CB MET A 1 -6.633 -3.534 9.871 1.00 0.70 C ATOM 6 CG MET A 1 -7.854 -3.506 10.793 1.00 1.55 C ATOM 7 SD MET A 1 -7.381 -2.828 12.402 1.00 2.25 S ATOM 8 CE MET A 1 -9.052 -2.480 13.002 1.00 2.89 C ATOM 0 H1 MET A 1 -8.053 -1.066 9.480 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.016 -0.674 8.194 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.860 -2.148 8.185 1.00 0.73 H new ATOM 0 HA MET A 1 -6.015 -1.543 10.409 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.856 -4.106 8.971 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.800 -4.032 10.367 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.644 -2.900 10.349 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.254 -4.513 10.914 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.997 -2.047 14.001 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.542 -1.777 12.328 1.00 2.89 H new ATOM 0 HE3 MET A 1 -9.625 -3.406 13.039 1.00 2.89 H new ATOM 20 N VAL A 2 -3.882 -1.715 9.098 1.00 0.24 N ATOM 21 CA VAL A 2 -2.640 -1.699 8.267 1.00 0.19 C ATOM 22 C VAL A 2 -1.846 -2.993 8.489 1.00 0.22 C ATOM 23 O VAL A 2 -2.097 -3.737 9.417 1.00 0.28 O ATOM 24 CB VAL A 2 -1.783 -0.495 8.671 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.456 -0.518 7.903 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.540 0.798 8.349 1.00 0.30 C ATOM 0 H VAL A 2 -3.762 -1.391 10.058 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.909 -1.624 7.213 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.577 -0.542 9.740 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.148 0.341 8.195 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.083 -1.437 8.135 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.655 -0.475 6.832 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.932 1.656 8.636 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.748 0.841 7.280 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.479 0.817 8.902 1.00 0.30 H new ATOM 36 N LYS A 3 -0.880 -3.257 7.648 1.00 0.18 N ATOM 37 CA LYS A 3 -0.051 -4.492 7.802 1.00 0.22 C ATOM 38 C LYS A 3 1.333 -4.232 7.206 1.00 0.16 C ATOM 39 O LYS A 3 1.467 -3.905 6.043 1.00 0.13 O ATOM 40 CB LYS A 3 -0.703 -5.668 7.063 1.00 0.26 C ATOM 41 CG LYS A 3 -0.019 -6.975 7.476 1.00 0.34 C ATOM 42 CD LYS A 3 -0.817 -8.164 6.937 1.00 0.81 C ATOM 43 CE LYS A 3 -0.150 -9.470 7.374 1.00 1.37 C ATOM 44 NZ LYS A 3 -1.102 -10.601 7.189 1.00 1.97 N ATOM 0 H LYS A 3 -0.627 -2.667 6.855 1.00 0.18 H new ATOM 0 HA LYS A 3 0.030 -4.741 8.860 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.767 -5.713 7.296 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.619 -5.526 5.986 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.000 -7.002 7.089 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.051 -7.033 8.562 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.841 -8.125 7.307 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.869 -8.117 5.849 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.754 -9.642 6.790 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.154 -9.404 8.419 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -1.022 -11.257 7.992 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -2.073 -10.232 7.138 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.876 -11.104 6.308 1.00 1.97 H new ATOM 58 N GLN A 4 2.364 -4.364 7.996 1.00 0.18 N ATOM 59 CA GLN A 4 3.741 -4.112 7.481 1.00 0.15 C ATOM 60 C GLN A 4 4.323 -5.399 6.890 1.00 0.13 C ATOM 61 O GLN A 4 4.244 -6.460 7.477 1.00 0.14 O ATOM 62 CB GLN A 4 4.623 -3.621 8.638 1.00 0.20 C ATOM 63 CG GLN A 4 6.112 -3.705 8.255 1.00 0.21 C ATOM 64 CD GLN A 4 6.935 -2.789 9.166 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.425 -2.257 10.132 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.193 -2.582 8.894 1.00 0.98 N ATOM 0 H GLN A 4 2.312 -4.636 8.978 1.00 0.18 H new ATOM 0 HA GLN A 4 3.707 -3.354 6.698 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.364 -2.593 8.890 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.436 -4.223 9.527 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.463 -4.733 8.345 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.246 -3.413 7.213 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.620 -3.029 8.083 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.751 -1.973 9.493 1.00 0.98 H new ATOM 75 N ILE A 5 4.924 -5.295 5.734 1.00 0.10 N ATOM 76 CA ILE A 5 5.544 -6.484 5.077 1.00 0.10 C ATOM 77 C ILE A 5 7.064 -6.354 5.194 1.00 0.10 C ATOM 78 O ILE A 5 7.670 -5.521 4.550 1.00 0.11 O ATOM 79 CB ILE A 5 5.160 -6.508 3.590 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.688 -6.088 3.395 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.397 -7.903 3.008 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.725 -6.980 4.196 1.00 0.19 C ATOM 0 H ILE A 5 5.013 -4.424 5.210 1.00 0.10 H new ATOM 0 HA ILE A 5 5.197 -7.400 5.555 1.00 0.10 H new ATOM 0 HB ILE A 5 5.790 -5.793 3.061 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.563 -5.050 3.704 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.434 -6.138 2.336 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.122 -7.909 1.953 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.450 -8.165 3.109 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.788 -8.630 3.546 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.700 -6.649 4.030 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.830 -8.014 3.869 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.962 -6.909 5.258 1.00 0.19 H new ATOM 94 N GLU A 6 7.683 -7.160 6.009 1.00 0.11 N ATOM 95 CA GLU A 6 9.164 -7.072 6.170 1.00 0.14 C ATOM 96 C GLU A 6 9.834 -8.144 5.307 1.00 0.14 C ATOM 97 O GLU A 6 11.041 -8.181 5.174 1.00 0.17 O ATOM 98 CB GLU A 6 9.517 -7.305 7.637 1.00 0.18 C ATOM 99 CG GLU A 6 8.599 -6.464 8.526 1.00 0.31 C ATOM 100 CD GLU A 6 9.011 -6.634 9.990 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.990 -7.319 10.234 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.340 -6.075 10.842 1.00 1.96 O ATOM 0 H GLU A 6 7.228 -7.878 6.573 1.00 0.11 H new ATOM 0 HA GLU A 6 9.513 -6.088 5.858 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.411 -8.361 7.884 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.558 -7.039 7.818 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.660 -5.414 8.240 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.562 -6.772 8.391 1.00 0.31 H new ATOM 109 N SER A 7 9.061 -9.015 4.715 1.00 0.13 N ATOM 110 CA SER A 7 9.655 -10.081 3.856 1.00 0.15 C ATOM 111 C SER A 7 8.634 -10.526 2.809 1.00 0.14 C ATOM 112 O SER A 7 7.440 -10.487 3.032 1.00 0.12 O ATOM 113 CB SER A 7 10.050 -11.272 4.726 1.00 0.20 C ATOM 114 OG SER A 7 8.878 -11.888 5.241 1.00 0.23 O ATOM 0 H SER A 7 8.044 -9.035 4.789 1.00 0.13 H new ATOM 0 HA SER A 7 10.539 -9.690 3.352 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.624 -11.990 4.140 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.691 -10.943 5.544 1.00 0.20 H new ATOM 0 HG SER A 7 9.129 -12.654 5.798 1.00 0.23 H new ATOM 120 N LYS A 8 9.099 -10.945 1.666 1.00 0.15 N ATOM 121 CA LYS A 8 8.166 -11.391 0.593 1.00 0.14 C ATOM 122 C LYS A 8 7.204 -12.442 1.153 1.00 0.14 C ATOM 123 O LYS A 8 6.100 -12.602 0.676 1.00 0.13 O ATOM 124 CB LYS A 8 8.982 -11.984 -0.562 1.00 0.17 C ATOM 125 CG LYS A 8 8.152 -11.965 -1.851 1.00 0.21 C ATOM 126 CD LYS A 8 8.982 -12.509 -3.036 1.00 0.22 C ATOM 127 CE LYS A 8 8.727 -14.008 -3.222 1.00 1.06 C ATOM 128 NZ LYS A 8 9.032 -14.733 -1.956 1.00 1.90 N ATOM 0 H LYS A 8 10.089 -10.998 1.427 1.00 0.15 H new ATOM 0 HA LYS A 8 7.586 -10.543 0.229 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.900 -11.412 -0.702 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.276 -13.006 -0.324 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.253 -12.568 -1.721 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.825 -10.948 -2.065 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.720 -11.973 -3.948 1.00 0.22 H new ATOM 0 HD3 LYS A 8 10.043 -12.333 -2.856 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.689 -14.177 -3.507 1.00 1.06 H new ATOM 0 HE3 LYS A 8 9.347 -14.394 -4.031 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.039 -15.757 -2.136 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.964 -14.437 -1.602 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.306 -14.511 -1.245 1.00 1.90 H new ATOM 142 N THR A 9 7.609 -13.158 2.163 1.00 0.16 N ATOM 143 CA THR A 9 6.706 -14.190 2.747 1.00 0.18 C ATOM 144 C THR A 9 5.439 -13.513 3.273 1.00 0.16 C ATOM 145 O THR A 9 4.339 -13.997 3.093 1.00 0.17 O ATOM 146 CB THR A 9 7.420 -14.899 3.892 1.00 0.21 C ATOM 147 OG1 THR A 9 8.706 -15.321 3.461 1.00 0.24 O ATOM 148 CG2 THR A 9 6.602 -16.113 4.334 1.00 0.25 C ATOM 0 H THR A 9 8.523 -13.075 2.609 1.00 0.16 H new ATOM 0 HA THR A 9 6.438 -14.919 1.982 1.00 0.18 H new ATOM 0 HB THR A 9 7.527 -14.212 4.732 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.165 -15.775 4.198 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.114 -16.618 5.153 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.618 -15.786 4.669 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.490 -16.801 3.496 1.00 0.25 H new ATOM 156 N ALA A 10 5.591 -12.394 3.925 1.00 0.16 N ATOM 157 CA ALA A 10 4.410 -11.668 4.474 1.00 0.17 C ATOM 158 C ALA A 10 3.619 -11.022 3.328 1.00 0.15 C ATOM 159 O ALA A 10 2.449 -10.725 3.462 1.00 0.17 O ATOM 160 CB ALA A 10 4.897 -10.592 5.453 1.00 0.20 C ATOM 0 H ALA A 10 6.490 -11.947 4.103 1.00 0.16 H new ATOM 0 HA ALA A 10 3.757 -12.366 4.998 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.040 -10.055 5.860 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.449 -11.063 6.266 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.548 -9.892 4.930 1.00 0.20 H new ATOM 166 N PHE A 11 4.249 -10.795 2.208 1.00 0.12 N ATOM 167 CA PHE A 11 3.531 -10.158 1.063 1.00 0.11 C ATOM 168 C PHE A 11 2.357 -11.029 0.624 1.00 0.13 C ATOM 169 O PHE A 11 1.210 -10.667 0.789 1.00 0.16 O ATOM 170 CB PHE A 11 4.491 -9.981 -0.117 1.00 0.10 C ATOM 171 CG PHE A 11 3.754 -9.348 -1.276 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.343 -8.005 -1.196 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.477 -10.101 -2.437 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.659 -7.411 -2.274 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.791 -9.508 -3.514 1.00 0.18 C ATOM 176 CZ PHE A 11 2.382 -8.163 -3.433 1.00 0.21 C ATOM 0 H PHE A 11 5.228 -11.022 2.034 1.00 0.12 H new ATOM 0 HA PHE A 11 3.158 -9.186 1.385 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.334 -9.356 0.177 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.899 -10.947 -0.416 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.552 -7.429 -0.307 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.791 -11.132 -2.499 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.347 -6.379 -2.212 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.578 -10.085 -4.402 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.856 -7.708 -4.259 1.00 0.21 H new ATOM 186 N GLN A 12 2.630 -12.164 0.049 1.00 0.15 N ATOM 187 CA GLN A 12 1.523 -13.042 -0.419 1.00 0.19 C ATOM 188 C GLN A 12 0.573 -13.334 0.741 1.00 0.17 C ATOM 189 O GLN A 12 -0.631 -13.335 0.584 1.00 0.16 O ATOM 190 CB GLN A 12 2.102 -14.353 -0.955 1.00 0.24 C ATOM 191 CG GLN A 12 3.139 -14.042 -2.036 1.00 1.21 C ATOM 192 CD GLN A 12 3.636 -15.347 -2.660 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.150 -16.412 -2.338 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.594 -15.307 -3.546 1.00 2.47 N ATOM 0 H GLN A 12 3.570 -12.522 -0.118 1.00 0.15 H new ATOM 0 HA GLN A 12 0.973 -12.539 -1.214 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.562 -14.919 -0.145 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.306 -14.974 -1.366 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.700 -13.404 -2.803 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.975 -13.492 -1.605 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.002 -14.412 -3.816 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.935 -16.171 -3.968 1.00 2.47 H new ATOM 203 N GLU A 13 1.101 -13.578 1.905 1.00 0.19 N ATOM 204 CA GLU A 13 0.224 -13.865 3.069 1.00 0.20 C ATOM 205 C GLU A 13 -0.706 -12.675 3.316 1.00 0.18 C ATOM 206 O GLU A 13 -1.855 -12.840 3.675 1.00 0.19 O ATOM 207 CB GLU A 13 1.091 -14.104 4.304 1.00 0.25 C ATOM 208 CG GLU A 13 1.746 -15.484 4.221 1.00 0.30 C ATOM 209 CD GLU A 13 2.563 -15.737 5.491 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.306 -15.069 6.480 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.432 -16.592 5.452 1.00 2.10 O ATOM 0 H GLU A 13 2.102 -13.591 2.100 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.376 -14.752 2.866 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.857 -13.332 4.376 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.482 -14.034 5.205 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.983 -16.254 4.107 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.390 -15.541 3.344 1.00 0.30 H new ATOM 218 N ALA A 14 -0.221 -11.477 3.129 1.00 0.18 N ATOM 219 CA ALA A 14 -1.087 -10.286 3.356 1.00 0.18 C ATOM 220 C ALA A 14 -2.293 -10.349 2.410 1.00 0.18 C ATOM 221 O ALA A 14 -3.426 -10.181 2.815 1.00 0.19 O ATOM 222 CB ALA A 14 -0.283 -9.015 3.073 1.00 0.20 C ATOM 0 H ALA A 14 0.733 -11.273 2.830 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.434 -10.275 4.389 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.914 -8.141 3.238 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.578 -8.973 3.741 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.060 -9.024 2.039 1.00 0.20 H new ATOM 228 N LEU A 15 -2.048 -10.590 1.151 1.00 0.17 N ATOM 229 CA LEU A 15 -3.159 -10.670 0.151 1.00 0.18 C ATOM 230 C LEU A 15 -4.083 -11.845 0.487 1.00 0.18 C ATOM 231 O LEU A 15 -5.289 -11.750 0.376 1.00 0.18 O ATOM 232 CB LEU A 15 -2.562 -10.871 -1.248 1.00 0.19 C ATOM 233 CG LEU A 15 -1.306 -10.009 -1.407 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.815 -10.085 -2.855 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.635 -8.554 -1.058 1.00 0.62 C ATOM 0 H LEU A 15 -1.115 -10.737 0.765 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.737 -9.746 0.178 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.314 -11.922 -1.400 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.296 -10.603 -2.008 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.528 -10.376 -0.738 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.079 -9.472 -2.969 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.580 -11.119 -3.106 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.594 -9.718 -3.523 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.741 -7.941 -1.171 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.414 -8.187 -1.726 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.985 -8.497 -0.027 1.00 0.62 H new ATOM 247 N ASP A 16 -3.526 -12.954 0.883 1.00 0.19 N ATOM 248 CA ASP A 16 -4.374 -14.135 1.211 1.00 0.21 C ATOM 249 C ASP A 16 -5.282 -13.807 2.399 1.00 0.20 C ATOM 250 O ASP A 16 -6.469 -14.066 2.372 1.00 0.20 O ATOM 251 CB ASP A 16 -3.475 -15.322 1.567 1.00 0.24 C ATOM 252 CG ASP A 16 -4.336 -16.497 2.032 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.126 -16.978 1.235 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.194 -16.895 3.176 1.00 1.07 O ATOM 0 H ASP A 16 -2.522 -13.095 0.994 1.00 0.19 H new ATOM 0 HA ASP A 16 -4.990 -14.388 0.348 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.881 -15.614 0.701 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.775 -15.038 2.353 1.00 0.24 H new ATOM 259 N ALA A 17 -4.737 -13.246 3.442 1.00 0.22 N ATOM 260 CA ALA A 17 -5.575 -12.912 4.629 1.00 0.24 C ATOM 261 C ALA A 17 -6.379 -11.640 4.353 1.00 0.21 C ATOM 262 O ALA A 17 -7.261 -11.278 5.105 1.00 0.22 O ATOM 263 CB ALA A 17 -4.673 -12.692 5.845 1.00 0.30 C ATOM 0 H ALA A 17 -3.749 -13.004 3.525 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.261 -13.735 4.828 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.286 -12.448 6.713 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.105 -13.600 6.046 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.985 -11.871 5.644 1.00 0.30 H new ATOM 269 N ALA A 18 -6.086 -10.957 3.279 1.00 0.21 N ATOM 270 CA ALA A 18 -6.841 -9.711 2.964 1.00 0.22 C ATOM 271 C ALA A 18 -8.285 -10.068 2.606 1.00 0.21 C ATOM 272 O ALA A 18 -9.162 -9.227 2.612 1.00 0.24 O ATOM 273 CB ALA A 18 -6.185 -8.998 1.779 1.00 0.23 C ATOM 0 H ALA A 18 -5.359 -11.207 2.609 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.831 -9.053 3.833 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.739 -8.087 1.550 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.156 -8.743 2.032 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.193 -9.655 0.909 1.00 0.23 H new ATOM 279 N GLY A 19 -8.541 -11.311 2.297 1.00 0.22 N ATOM 280 CA GLY A 19 -9.931 -11.720 1.942 1.00 0.24 C ATOM 281 C GLY A 19 -10.225 -11.339 0.490 1.00 0.20 C ATOM 282 O GLY A 19 -9.642 -11.875 -0.431 1.00 0.28 O ATOM 0 H GLY A 19 -7.849 -12.060 2.275 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.050 -12.795 2.077 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.645 -11.234 2.607 1.00 0.24 H new ATOM 286 N ASP A 20 -11.130 -10.415 0.281 1.00 0.13 N ATOM 287 CA ASP A 20 -11.478 -9.988 -1.111 1.00 0.18 C ATOM 288 C ASP A 20 -11.614 -8.458 -1.154 1.00 0.15 C ATOM 289 O ASP A 20 -11.942 -7.885 -2.173 1.00 0.22 O ATOM 290 CB ASP A 20 -12.797 -10.690 -1.535 1.00 0.26 C ATOM 291 CG ASP A 20 -13.995 -9.727 -1.483 1.00 1.43 C ATOM 292 OD1 ASP A 20 -14.248 -9.185 -0.420 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.634 -9.551 -2.508 1.00 2.21 O ATOM 0 H ASP A 20 -11.646 -9.935 1.019 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.693 -10.276 -1.811 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.691 -11.085 -2.545 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.984 -11.540 -0.879 1.00 0.26 H new ATOM 298 N LYS A 21 -11.360 -7.794 -0.058 1.00 0.12 N ATOM 299 CA LYS A 21 -11.475 -6.314 -0.052 1.00 0.19 C ATOM 300 C LYS A 21 -10.371 -5.724 -0.920 1.00 0.15 C ATOM 301 O LYS A 21 -9.448 -6.406 -1.319 1.00 0.15 O ATOM 302 CB LYS A 21 -11.317 -5.807 1.378 1.00 0.27 C ATOM 303 CG LYS A 21 -12.610 -6.051 2.150 1.00 0.29 C ATOM 304 CD LYS A 21 -12.361 -5.791 3.636 1.00 0.30 C ATOM 305 CE LYS A 21 -13.694 -5.670 4.380 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.260 -7.031 4.603 1.00 1.90 N ATOM 0 H LYS A 21 -11.079 -8.214 0.828 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.448 -6.016 -0.443 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.487 -6.318 1.867 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.079 -4.743 1.374 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.398 -5.395 1.780 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.951 -7.075 1.999 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.771 -6.603 4.061 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.782 -4.876 3.761 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.546 -5.164 5.334 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.392 -5.064 3.803 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.166 -6.952 5.108 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.415 -7.497 3.686 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.595 -7.595 5.170 1.00 1.90 H new ATOM 320 N LEU A 22 -10.453 -4.458 -1.212 1.00 0.13 N ATOM 321 CA LEU A 22 -9.397 -3.834 -2.047 1.00 0.11 C ATOM 322 C LEU A 22 -8.082 -3.875 -1.252 1.00 0.10 C ATOM 323 O LEU A 22 -8.092 -4.042 -0.048 1.00 0.11 O ATOM 324 CB LEU A 22 -9.807 -2.379 -2.370 1.00 0.12 C ATOM 325 CG LEU A 22 -9.523 -2.008 -3.836 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.793 -0.512 -4.018 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.060 -2.300 -4.205 1.00 0.11 C ATOM 0 H LEU A 22 -11.201 -3.833 -0.910 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.266 -4.368 -2.988 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.869 -2.248 -2.163 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.268 -1.697 -1.713 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.167 -2.603 -4.483 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.597 -0.230 -5.052 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.834 -0.298 -3.775 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.141 0.059 -3.357 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.886 -2.029 -5.246 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.400 -1.717 -3.563 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.855 -3.362 -4.068 1.00 0.11 H new ATOM 339 N VAL A 23 -6.956 -3.728 -1.899 1.00 0.08 N ATOM 340 CA VAL A 23 -5.658 -3.763 -1.157 1.00 0.09 C ATOM 341 C VAL A 23 -4.674 -2.777 -1.791 1.00 0.08 C ATOM 342 O VAL A 23 -4.118 -3.030 -2.839 1.00 0.09 O ATOM 343 CB VAL A 23 -5.075 -5.180 -1.216 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.946 -5.311 -0.192 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.174 -6.197 -0.897 1.00 0.10 C ATOM 0 H VAL A 23 -6.877 -3.586 -2.906 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.828 -3.482 -0.118 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.682 -5.370 -2.215 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.532 -6.318 -0.234 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.163 -4.587 -0.419 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.337 -5.121 0.807 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.760 -7.205 -0.939 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.567 -6.007 0.102 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.978 -6.104 -1.627 1.00 0.10 H new ATOM 355 N VAL A 24 -4.448 -1.656 -1.150 1.00 0.08 N ATOM 356 CA VAL A 24 -3.492 -0.643 -1.695 1.00 0.08 C ATOM 357 C VAL A 24 -2.180 -0.744 -0.917 1.00 0.08 C ATOM 358 O VAL A 24 -2.169 -0.771 0.298 1.00 0.08 O ATOM 359 CB VAL A 24 -4.085 0.760 -1.544 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.349 1.732 -2.469 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.567 0.725 -1.920 1.00 0.09 C ATOM 0 H VAL A 24 -4.888 -1.398 -0.267 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.309 -0.832 -2.753 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.975 1.091 -0.511 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.773 2.730 -2.360 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.292 1.756 -2.205 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.457 1.403 -3.503 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.993 1.723 -1.814 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.673 0.394 -2.953 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.093 0.034 -1.262 1.00 0.09 H new ATOM 371 N VAL A 25 -1.076 -0.822 -1.614 1.00 0.09 N ATOM 372 CA VAL A 25 0.253 -0.947 -0.939 1.00 0.09 C ATOM 373 C VAL A 25 1.019 0.367 -1.069 1.00 0.10 C ATOM 374 O VAL A 25 0.996 1.010 -2.098 1.00 0.17 O ATOM 375 CB VAL A 25 1.063 -2.058 -1.613 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.235 -2.461 -0.716 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.167 -3.276 -1.858 1.00 0.09 C ATOM 0 H VAL A 25 -1.037 -0.804 -2.633 1.00 0.09 H new ATOM 0 HA VAL A 25 0.100 -1.183 0.114 1.00 0.09 H new ATOM 0 HB VAL A 25 1.445 -1.692 -2.566 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.808 -3.252 -1.200 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.878 -1.597 -0.548 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.855 -2.822 0.240 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.747 -4.064 -2.338 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.221 -3.639 -0.907 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.664 -2.993 -2.504 1.00 0.09 H new ATOM 387 N ASP A 26 1.708 0.756 -0.030 1.00 0.08 N ATOM 388 CA ASP A 26 2.500 2.021 -0.066 1.00 0.08 C ATOM 389 C ASP A 26 3.991 1.680 -0.068 1.00 0.08 C ATOM 390 O ASP A 26 4.582 1.431 0.964 1.00 0.09 O ATOM 391 CB ASP A 26 2.168 2.859 1.172 1.00 0.09 C ATOM 392 CG ASP A 26 3.087 4.081 1.228 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.509 4.530 0.176 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.353 4.548 2.324 1.00 0.93 O ATOM 0 H ASP A 26 1.757 0.246 0.852 1.00 0.08 H new ATOM 0 HA ASP A 26 2.254 2.587 -0.965 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.126 3.177 1.139 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.290 2.258 2.073 1.00 0.09 H new ATOM 399 N PHE A 27 4.607 1.675 -1.218 1.00 0.08 N ATOM 400 CA PHE A 27 6.062 1.360 -1.283 1.00 0.09 C ATOM 401 C PHE A 27 6.839 2.645 -1.019 1.00 0.11 C ATOM 402 O PHE A 27 7.290 3.304 -1.934 1.00 0.13 O ATOM 403 CB PHE A 27 6.413 0.862 -2.685 1.00 0.10 C ATOM 404 CG PHE A 27 5.990 -0.578 -2.866 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.671 -0.888 -3.246 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.928 -1.610 -2.677 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.291 -2.233 -3.432 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.549 -2.951 -2.866 1.00 0.21 C ATOM 409 CZ PHE A 27 5.231 -3.263 -3.244 1.00 0.23 C ATOM 0 H PHE A 27 4.166 1.875 -2.115 1.00 0.08 H new ATOM 0 HA PHE A 27 6.311 0.595 -0.548 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.921 1.486 -3.431 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.487 0.954 -2.850 1.00 0.10 H new ATOM 0 HD1 PHE A 27 3.951 -0.097 -3.395 1.00 0.19 H new ATOM 0 HD2 PHE A 27 7.940 -1.372 -2.386 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.278 -2.473 -3.719 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.270 -3.741 -2.721 1.00 0.21 H new ATOM 0 HZ PHE A 27 4.940 -4.293 -3.390 1.00 0.23 H new ATOM 419 N SER A 28 6.991 3.008 0.224 1.00 0.11 N ATOM 420 CA SER A 28 7.732 4.259 0.567 1.00 0.12 C ATOM 421 C SER A 28 9.087 3.891 1.164 1.00 0.10 C ATOM 422 O SER A 28 9.560 2.780 1.024 1.00 0.11 O ATOM 423 CB SER A 28 6.918 5.051 1.594 1.00 0.17 C ATOM 424 OG SER A 28 5.767 5.596 0.960 1.00 1.03 O ATOM 0 H SER A 28 6.631 2.489 1.025 1.00 0.11 H new ATOM 0 HA SER A 28 7.882 4.863 -0.328 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.621 4.403 2.418 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.526 5.850 2.020 1.00 0.17 H new ATOM 0 HG SER A 28 5.275 4.881 0.505 1.00 1.03 H new ATOM 430 N ALA A 29 9.711 4.818 1.834 1.00 0.10 N ATOM 431 CA ALA A 29 11.041 4.539 2.459 1.00 0.15 C ATOM 432 C ALA A 29 11.090 5.216 3.833 1.00 0.18 C ATOM 433 O ALA A 29 10.831 6.395 3.971 1.00 0.26 O ATOM 434 CB ALA A 29 12.153 5.083 1.553 1.00 0.19 C ATOM 0 H ALA A 29 9.358 5.764 1.978 1.00 0.10 H new ATOM 0 HA ALA A 29 11.186 3.466 2.581 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.123 4.881 2.007 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.099 4.597 0.579 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.028 6.159 1.429 1.00 0.19 H new ATOM 440 N THR A 30 11.389 4.457 4.851 1.00 0.18 N ATOM 441 CA THR A 30 11.425 5.017 6.234 1.00 0.23 C ATOM 442 C THR A 30 12.532 6.067 6.381 1.00 0.26 C ATOM 443 O THR A 30 12.402 7.006 7.141 1.00 0.31 O ATOM 444 CB THR A 30 11.679 3.881 7.227 1.00 0.26 C ATOM 445 OG1 THR A 30 11.755 4.410 8.542 1.00 0.32 O ATOM 446 CG2 THR A 30 12.995 3.180 6.879 1.00 0.28 C ATOM 0 H THR A 30 11.612 3.464 4.784 1.00 0.18 H new ATOM 0 HA THR A 30 10.467 5.497 6.435 1.00 0.23 H new ATOM 0 HB THR A 30 10.862 3.162 7.172 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.916 3.682 9.178 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.175 2.371 7.587 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.934 2.772 5.870 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.814 3.897 6.932 1.00 0.28 H new ATOM 454 N TRP A 31 13.627 5.916 5.686 1.00 0.26 N ATOM 455 CA TRP A 31 14.734 6.912 5.824 1.00 0.32 C ATOM 456 C TRP A 31 14.520 8.078 4.863 1.00 0.32 C ATOM 457 O TRP A 31 15.201 9.082 4.937 1.00 0.36 O ATOM 458 CB TRP A 31 16.072 6.239 5.514 1.00 0.34 C ATOM 459 CG TRP A 31 16.123 5.815 4.083 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.795 4.584 3.627 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.532 6.588 2.920 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.982 4.547 2.257 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.430 5.759 1.770 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.978 7.918 2.749 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.760 6.234 0.493 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.310 8.400 1.467 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.201 7.559 0.340 1.00 0.40 C ATOM 0 H TRP A 31 13.805 5.153 5.033 1.00 0.26 H new ATOM 0 HA TRP A 31 14.740 7.290 6.846 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.890 6.928 5.725 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.209 5.373 6.162 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.444 3.763 4.235 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.810 3.725 1.678 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.065 8.569 3.606 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.676 5.586 -0.367 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.650 9.418 1.347 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.456 7.934 -0.640 1.00 0.40 H new ATOM 478 N CYS A 32 13.587 7.957 3.957 1.00 0.28 N ATOM 479 CA CYS A 32 13.336 9.059 2.981 1.00 0.30 C ATOM 480 C CYS A 32 12.140 9.900 3.446 1.00 0.31 C ATOM 481 O CYS A 32 11.055 9.398 3.661 1.00 0.29 O ATOM 482 CB CYS A 32 13.058 8.441 1.608 1.00 0.28 C ATOM 483 SG CYS A 32 13.629 9.568 0.308 1.00 0.32 S ATOM 0 H CYS A 32 12.986 7.140 3.850 1.00 0.28 H new ATOM 0 HA CYS A 32 14.207 9.711 2.915 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.567 7.481 1.520 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.991 8.248 1.494 1.00 0.28 H new ATOM 488 N GLY A 33 12.345 11.177 3.605 1.00 0.34 N ATOM 489 CA GLY A 33 11.247 12.074 4.059 1.00 0.36 C ATOM 490 C GLY A 33 10.129 12.186 3.006 1.00 0.35 C ATOM 491 O GLY A 33 8.981 11.965 3.327 1.00 0.33 O ATOM 0 H GLY A 33 13.237 11.643 3.438 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.831 11.695 4.993 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.650 13.065 4.268 1.00 0.36 H new ATOM 495 N PRO A 34 10.475 12.556 1.790 1.00 0.37 N ATOM 496 CA PRO A 34 9.470 12.735 0.718 1.00 0.38 C ATOM 497 C PRO A 34 8.498 11.551 0.647 1.00 0.35 C ATOM 498 O PRO A 34 7.320 11.725 0.410 1.00 0.36 O ATOM 499 CB PRO A 34 10.307 12.869 -0.574 1.00 0.42 C ATOM 500 CG PRO A 34 11.761 13.190 -0.128 1.00 0.44 C ATOM 501 CD PRO A 34 11.870 12.817 1.368 1.00 0.40 C ATOM 0 HA PRO A 34 8.837 13.605 0.889 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.274 11.947 -1.155 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.913 13.661 -1.211 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.480 12.623 -0.720 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.986 14.246 -0.279 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.499 11.939 1.513 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.315 13.626 1.947 1.00 0.40 H new ATOM 509 N ALA A 35 8.968 10.355 0.848 1.00 0.33 N ATOM 510 CA ALA A 35 8.045 9.188 0.784 1.00 0.32 C ATOM 511 C ALA A 35 7.227 9.127 2.076 1.00 0.39 C ATOM 512 O ALA A 35 6.015 9.229 2.065 1.00 0.81 O ATOM 513 CB ALA A 35 8.862 7.901 0.616 1.00 0.36 C ATOM 0 H ALA A 35 9.943 10.134 1.052 1.00 0.33 H new ATOM 0 HA ALA A 35 7.370 9.292 -0.065 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.188 7.046 0.569 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.443 7.956 -0.305 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.537 7.785 1.464 1.00 0.36 H new ATOM 519 N LYS A 36 7.885 8.967 3.188 1.00 0.30 N ATOM 520 CA LYS A 36 7.166 8.903 4.491 1.00 0.28 C ATOM 521 C LYS A 36 6.375 10.196 4.716 1.00 0.24 C ATOM 522 O LYS A 36 5.498 10.259 5.555 1.00 0.25 O ATOM 523 CB LYS A 36 8.200 8.730 5.609 1.00 0.35 C ATOM 524 CG LYS A 36 7.519 8.835 6.977 1.00 0.38 C ATOM 525 CD LYS A 36 8.460 8.290 8.057 1.00 0.49 C ATOM 526 CE LYS A 36 7.933 8.664 9.446 1.00 1.22 C ATOM 527 NZ LYS A 36 8.299 10.077 9.752 1.00 1.92 N ATOM 0 H LYS A 36 8.899 8.877 3.252 1.00 0.30 H new ATOM 0 HA LYS A 36 6.471 8.064 4.489 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.693 7.762 5.513 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.974 9.492 5.520 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.265 9.873 7.190 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.585 8.273 6.975 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.540 7.207 7.969 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.462 8.696 7.917 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.850 8.542 9.481 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.354 7.997 10.198 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.079 10.285 10.747 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.316 10.216 9.586 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.758 10.717 9.136 1.00 1.92 H new ATOM 541 N MET A 37 6.682 11.229 3.982 1.00 0.23 N ATOM 542 CA MET A 37 5.952 12.517 4.163 1.00 0.24 C ATOM 543 C MET A 37 4.463 12.332 3.854 1.00 0.20 C ATOM 544 O MET A 37 3.639 13.137 4.240 1.00 0.20 O ATOM 545 CB MET A 37 6.540 13.578 3.227 1.00 0.29 C ATOM 546 CG MET A 37 5.701 14.859 3.293 1.00 1.31 C ATOM 547 SD MET A 37 6.693 16.257 2.714 1.00 2.12 S ATOM 548 CE MET A 37 5.843 17.548 3.654 1.00 3.13 C ATOM 0 H MET A 37 7.407 11.238 3.264 1.00 0.23 H new ATOM 0 HA MET A 37 6.061 12.840 5.198 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.570 13.793 3.510 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.562 13.201 2.205 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.807 14.754 2.678 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.366 15.035 4.315 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.302 18.514 3.443 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.792 17.575 3.366 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.922 17.334 4.720 1.00 3.13 H new ATOM 558 N ILE A 38 4.112 11.291 3.144 1.00 0.18 N ATOM 559 CA ILE A 38 2.676 11.064 2.786 1.00 0.15 C ATOM 560 C ILE A 38 2.045 10.049 3.744 1.00 0.16 C ATOM 561 O ILE A 38 0.960 9.559 3.515 1.00 0.16 O ATOM 562 CB ILE A 38 2.589 10.539 1.343 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.577 11.327 0.463 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.159 10.725 0.803 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.536 10.810 -0.982 1.00 0.28 C ATOM 0 H ILE A 38 4.759 10.585 2.795 1.00 0.18 H new ATOM 0 HA ILE A 38 2.134 12.006 2.867 1.00 0.15 H new ATOM 0 HB ILE A 38 2.840 9.478 1.325 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.326 12.388 0.484 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.587 11.230 0.862 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.105 10.351 -0.219 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.459 10.172 1.429 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.900 11.784 0.816 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.240 11.377 -1.591 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.809 9.755 -0.999 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.530 10.930 -1.383 1.00 0.28 H new ATOM 577 N LYS A 39 2.698 9.719 4.828 1.00 0.19 N ATOM 578 CA LYS A 39 2.074 8.733 5.753 1.00 0.22 C ATOM 579 C LYS A 39 0.827 9.297 6.469 1.00 0.20 C ATOM 580 O LYS A 39 -0.066 8.536 6.770 1.00 0.21 O ATOM 581 CB LYS A 39 3.097 8.144 6.761 1.00 0.31 C ATOM 582 CG LYS A 39 3.383 9.081 7.957 1.00 0.34 C ATOM 583 CD LYS A 39 3.931 8.264 9.141 1.00 0.45 C ATOM 584 CE LYS A 39 2.843 7.331 9.716 1.00 1.16 C ATOM 585 NZ LYS A 39 3.013 5.963 9.147 1.00 1.62 N ATOM 0 H LYS A 39 3.611 10.079 5.106 1.00 0.19 H new ATOM 0 HA LYS A 39 1.730 7.909 5.128 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.721 7.192 7.136 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.031 7.935 6.240 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.103 9.846 7.667 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.470 9.598 8.252 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.787 7.673 8.815 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.287 8.938 9.920 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.915 7.296 10.803 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.853 7.717 9.475 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.118 5.652 8.718 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.758 5.979 8.421 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.282 5.303 9.904 1.00 1.62 H new ATOM 599 N PRO A 40 0.761 10.587 6.759 1.00 0.20 N ATOM 600 CA PRO A 40 -0.416 11.116 7.467 1.00 0.21 C ATOM 601 C PRO A 40 -1.664 10.955 6.592 1.00 0.17 C ATOM 602 O PRO A 40 -2.767 11.225 7.017 1.00 0.20 O ATOM 603 CB PRO A 40 -0.084 12.595 7.753 1.00 0.24 C ATOM 604 CG PRO A 40 1.365 12.849 7.250 1.00 0.25 C ATOM 605 CD PRO A 40 1.782 11.611 6.428 1.00 0.21 C ATOM 0 HA PRO A 40 -0.631 10.586 8.395 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.788 13.252 7.243 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.164 12.808 8.819 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.408 13.750 6.638 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.043 13.001 8.090 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.794 11.829 5.360 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.784 11.275 6.696 1.00 0.21 H new ATOM 613 N PHE A 41 -1.488 10.507 5.374 1.00 0.14 N ATOM 614 CA PHE A 41 -2.653 10.305 4.455 1.00 0.14 C ATOM 615 C PHE A 41 -2.885 8.807 4.270 1.00 0.11 C ATOM 616 O PHE A 41 -3.773 8.229 4.859 1.00 0.13 O ATOM 617 CB PHE A 41 -2.347 10.942 3.092 1.00 0.15 C ATOM 618 CG PHE A 41 -2.592 12.427 3.167 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.626 13.272 3.743 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.791 12.965 2.663 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.858 14.658 3.816 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.025 14.351 2.734 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.059 15.199 3.311 1.00 0.27 C ATOM 0 H PHE A 41 -0.581 10.270 4.973 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.542 10.770 4.881 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.312 10.747 2.811 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.976 10.497 2.321 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.707 12.857 4.129 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.531 12.314 2.222 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.117 15.307 4.258 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.944 14.764 2.346 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.238 16.263 3.367 1.00 0.27 H new ATOM 633 N PHE A 42 -2.089 8.182 3.450 1.00 0.10 N ATOM 634 CA PHE A 42 -2.244 6.721 3.193 1.00 0.11 C ATOM 635 C PHE A 42 -2.545 5.965 4.493 1.00 0.11 C ATOM 636 O PHE A 42 -3.548 5.287 4.605 1.00 0.12 O ATOM 637 CB PHE A 42 -0.945 6.194 2.589 1.00 0.13 C ATOM 638 CG PHE A 42 -1.060 4.710 2.369 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.742 4.224 1.243 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.477 3.810 3.284 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.846 2.843 1.026 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.582 2.423 3.069 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.266 1.939 1.938 1.00 0.10 C ATOM 0 H PHE A 42 -1.326 8.626 2.939 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.077 6.566 2.507 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.740 6.698 1.644 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.108 6.410 3.254 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.187 4.915 0.543 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.050 4.184 4.149 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.371 2.471 0.159 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.139 1.732 3.770 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.346 0.875 1.769 1.00 0.10 H new ATOM 653 N HIS A 43 -1.688 6.063 5.469 1.00 0.14 N ATOM 654 CA HIS A 43 -1.934 5.338 6.749 1.00 0.16 C ATOM 655 C HIS A 43 -3.168 5.922 7.458 1.00 0.16 C ATOM 656 O HIS A 43 -3.872 5.222 8.159 1.00 0.18 O ATOM 657 CB HIS A 43 -0.663 5.421 7.628 1.00 0.21 C ATOM 658 CG HIS A 43 -1.000 5.341 9.095 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.966 4.151 9.802 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.417 6.298 9.987 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.359 4.417 11.063 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.646 5.712 11.229 1.00 0.39 N ATOM 0 H HIS A 43 -0.829 6.612 5.438 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.145 4.286 6.554 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.016 4.610 7.365 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.139 6.355 7.424 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.547 7.346 9.760 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.433 3.675 11.844 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.964 6.172 12.082 1.00 0.39 H new ATOM 670 N SER A 44 -3.449 7.183 7.281 1.00 0.20 N ATOM 671 CA SER A 44 -4.649 7.770 7.950 1.00 0.25 C ATOM 672 C SER A 44 -5.925 7.119 7.395 1.00 0.20 C ATOM 673 O SER A 44 -6.831 6.789 8.134 1.00 0.21 O ATOM 674 CB SER A 44 -4.686 9.284 7.719 1.00 0.34 C ATOM 675 OG SER A 44 -3.828 9.917 8.659 1.00 0.97 O ATOM 0 H SER A 44 -2.907 7.829 6.708 1.00 0.20 H new ATOM 0 HA SER A 44 -4.591 7.578 9.021 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.369 9.518 6.703 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.704 9.657 7.828 1.00 0.34 H new ATOM 0 HG SER A 44 -3.470 10.742 8.271 1.00 0.97 H new ATOM 681 N LEU A 45 -6.008 6.933 6.102 1.00 0.18 N ATOM 682 CA LEU A 45 -7.232 6.304 5.516 1.00 0.18 C ATOM 683 C LEU A 45 -7.562 5.022 6.283 1.00 0.16 C ATOM 684 O LEU A 45 -8.636 4.468 6.149 1.00 0.23 O ATOM 685 CB LEU A 45 -6.989 5.958 4.041 1.00 0.19 C ATOM 686 CG LEU A 45 -6.529 7.198 3.261 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.414 6.842 1.776 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.541 8.340 3.437 1.00 0.50 C ATOM 0 H LEU A 45 -5.285 7.188 5.429 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.063 7.006 5.590 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.235 5.175 3.966 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.904 5.563 3.599 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.561 7.523 3.642 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.088 7.718 1.216 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.688 6.039 1.649 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.385 6.515 1.404 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.204 9.214 2.879 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.515 8.024 3.063 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.623 8.594 4.494 1.00 0.50 H new ATOM 700 N SER A 46 -6.652 4.544 7.085 1.00 0.20 N ATOM 701 CA SER A 46 -6.922 3.298 7.856 1.00 0.25 C ATOM 702 C SER A 46 -8.178 3.482 8.712 1.00 0.17 C ATOM 703 O SER A 46 -8.944 2.562 8.910 1.00 0.15 O ATOM 704 CB SER A 46 -5.730 2.991 8.764 1.00 0.36 C ATOM 705 OG SER A 46 -4.594 2.692 7.963 1.00 0.51 O ATOM 0 H SER A 46 -5.734 4.961 7.240 1.00 0.20 H new ATOM 0 HA SER A 46 -7.075 2.472 7.162 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.520 3.844 9.409 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.962 2.148 9.415 1.00 0.36 H new ATOM 0 HG SER A 46 -4.013 3.480 7.912 1.00 0.51 H new ATOM 711 N GLU A 47 -8.390 4.665 9.230 1.00 0.21 N ATOM 712 CA GLU A 47 -9.592 4.910 10.084 1.00 0.21 C ATOM 713 C GLU A 47 -10.738 5.464 9.234 1.00 0.18 C ATOM 714 O GLU A 47 -11.879 5.476 9.651 1.00 0.18 O ATOM 715 CB GLU A 47 -9.238 5.922 11.176 1.00 0.32 C ATOM 716 CG GLU A 47 -7.884 5.558 11.787 1.00 0.39 C ATOM 717 CD GLU A 47 -7.661 6.378 13.060 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.639 7.594 12.963 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.515 5.775 14.112 1.00 1.98 O ATOM 0 H GLU A 47 -7.782 5.473 9.098 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.906 3.969 10.536 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.202 6.928 10.757 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.008 5.926 11.947 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.852 4.493 12.017 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.086 5.754 11.071 1.00 0.39 H new ATOM 726 N LYS A 48 -10.448 5.927 8.048 1.00 0.18 N ATOM 727 CA LYS A 48 -11.530 6.483 7.180 1.00 0.17 C ATOM 728 C LYS A 48 -12.097 5.368 6.300 1.00 0.15 C ATOM 729 O LYS A 48 -13.223 5.436 5.847 1.00 0.18 O ATOM 730 CB LYS A 48 -10.948 7.591 6.294 1.00 0.21 C ATOM 731 CG LYS A 48 -12.083 8.462 5.747 1.00 0.26 C ATOM 732 CD LYS A 48 -11.505 9.539 4.828 1.00 1.09 C ATOM 733 CE LYS A 48 -12.613 10.516 4.426 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.153 11.339 3.272 1.00 2.16 N ATOM 0 H LYS A 48 -9.512 5.945 7.642 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.326 6.894 7.801 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.252 8.202 6.869 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.383 7.153 5.471 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.796 7.846 5.199 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.628 8.925 6.569 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.702 10.073 5.336 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.071 9.080 3.940 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.517 9.968 4.159 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.868 11.160 5.268 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.905 12.003 2.998 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.302 11.872 3.543 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.931 10.717 2.469 1.00 2.16 H new ATOM 748 N TYR A 49 -11.324 4.340 6.058 1.00 0.13 N ATOM 749 CA TYR A 49 -11.803 3.204 5.209 1.00 0.13 C ATOM 750 C TYR A 49 -11.446 1.882 5.886 1.00 0.11 C ATOM 751 O TYR A 49 -10.600 1.142 5.423 1.00 0.11 O ATOM 752 CB TYR A 49 -11.134 3.280 3.830 1.00 0.15 C ATOM 753 CG TYR A 49 -11.832 4.326 2.993 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.137 4.081 2.529 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.192 5.545 2.692 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.804 5.051 1.761 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.858 6.516 1.927 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.166 6.271 1.459 1.00 0.21 C ATOM 759 OH TYR A 49 -13.821 7.225 0.708 1.00 0.24 O ATOM 0 H TYR A 49 -10.374 4.237 6.414 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.884 3.266 5.087 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.079 3.530 3.938 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.183 2.310 3.335 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.627 3.147 2.763 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.190 5.732 3.049 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.805 4.862 1.402 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.369 7.451 1.697 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.334 7.373 -0.129 1.00 0.24 H new ATOM 769 N SER A 50 -12.091 1.575 6.977 1.00 0.12 N ATOM 770 CA SER A 50 -11.797 0.297 7.682 1.00 0.13 C ATOM 771 C SER A 50 -12.245 -0.871 6.804 1.00 0.13 C ATOM 772 O SER A 50 -12.027 -2.023 7.122 1.00 0.14 O ATOM 773 CB SER A 50 -12.557 0.261 9.007 1.00 0.16 C ATOM 774 OG SER A 50 -13.954 0.323 8.750 1.00 0.17 O ATOM 0 H SER A 50 -12.809 2.155 7.411 1.00 0.12 H new ATOM 0 HA SER A 50 -10.727 0.221 7.878 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.316 -0.651 9.553 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.254 1.098 9.636 1.00 0.16 H new ATOM 0 HG SER A 50 -14.444 0.298 9.598 1.00 0.17 H new ATOM 780 N ASN A 51 -12.873 -0.579 5.694 1.00 0.13 N ATOM 781 CA ASN A 51 -13.346 -1.659 4.781 1.00 0.15 C ATOM 782 C ASN A 51 -12.295 -1.904 3.696 1.00 0.13 C ATOM 783 O ASN A 51 -12.440 -2.779 2.866 1.00 0.14 O ATOM 784 CB ASN A 51 -14.660 -1.227 4.130 1.00 0.17 C ATOM 785 CG ASN A 51 -15.214 -2.375 3.285 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.083 -3.103 3.723 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.744 -2.572 2.084 1.00 0.32 N ATOM 0 H ASN A 51 -13.079 0.369 5.380 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.503 -2.577 5.348 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.382 -0.945 4.896 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.497 -0.348 3.506 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.106 -3.336 1.514 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.015 -1.962 1.715 1.00 0.32 H new ATOM 794 N VAL A 52 -11.233 -1.137 3.708 1.00 0.11 N ATOM 795 CA VAL A 52 -10.147 -1.308 2.691 1.00 0.10 C ATOM 796 C VAL A 52 -8.881 -1.779 3.398 1.00 0.10 C ATOM 797 O VAL A 52 -8.622 -1.423 4.531 1.00 0.11 O ATOM 798 CB VAL A 52 -9.869 0.033 2.017 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.722 -0.124 1.012 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.132 0.511 1.294 1.00 0.12 C ATOM 0 H VAL A 52 -11.070 -0.392 4.385 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.454 -2.038 1.942 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.585 0.768 2.770 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.525 0.835 0.532 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.825 -0.460 1.533 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.999 -0.858 0.256 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.935 1.469 0.812 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.419 -0.222 0.540 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.942 0.627 2.014 1.00 0.12 H new ATOM 810 N ILE A 53 -8.094 -2.589 2.745 1.00 0.09 N ATOM 811 CA ILE A 53 -6.844 -3.104 3.378 1.00 0.09 C ATOM 812 C ILE A 53 -5.648 -2.264 2.907 1.00 0.09 C ATOM 813 O ILE A 53 -5.412 -2.117 1.726 1.00 0.14 O ATOM 814 CB ILE A 53 -6.631 -4.557 2.946 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.953 -5.348 3.034 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.551 -5.206 3.818 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.687 -5.105 4.365 1.00 0.17 C ATOM 0 H ILE A 53 -8.263 -2.919 1.795 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.930 -3.043 4.463 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.298 -4.572 1.908 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.601 -5.062 2.206 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.746 -6.412 2.924 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.404 -6.240 3.506 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.616 -4.657 3.708 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.864 -5.183 4.862 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.611 -5.682 4.381 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.051 -5.416 5.194 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.919 -4.045 4.464 1.00 0.17 H new ATOM 829 N PHE A 54 -4.890 -1.722 3.827 1.00 0.08 N ATOM 830 CA PHE A 54 -3.695 -0.896 3.455 1.00 0.08 C ATOM 831 C PHE A 54 -2.429 -1.628 3.899 1.00 0.08 C ATOM 832 O PHE A 54 -2.335 -2.094 5.016 1.00 0.11 O ATOM 833 CB PHE A 54 -3.769 0.456 4.168 1.00 0.08 C ATOM 834 CG PHE A 54 -5.004 1.197 3.710 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.072 1.703 2.397 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.087 1.383 4.591 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.220 2.395 1.967 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.235 2.074 4.161 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.302 2.580 2.849 1.00 0.09 C ATOM 0 H PHE A 54 -5.048 -1.816 4.830 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.677 -0.739 2.377 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.799 0.309 5.248 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.877 1.044 3.951 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.243 1.560 1.720 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.036 0.995 5.598 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.271 2.784 0.961 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.065 2.216 4.838 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.183 3.110 2.519 1.00 0.09 H new ATOM 849 N LEU A 55 -1.456 -1.735 3.031 1.00 0.08 N ATOM 850 CA LEU A 55 -0.181 -2.439 3.386 1.00 0.09 C ATOM 851 C LEU A 55 0.964 -1.423 3.400 1.00 0.09 C ATOM 852 O LEU A 55 0.809 -0.286 3.000 1.00 0.10 O ATOM 853 CB LEU A 55 0.122 -3.520 2.332 1.00 0.10 C ATOM 854 CG LEU A 55 -0.668 -4.807 2.619 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.159 -4.501 2.815 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.496 -5.765 1.435 1.00 0.12 C ATOM 0 H LEU A 55 -1.488 -1.362 2.082 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.282 -2.903 4.367 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.132 -3.147 1.340 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.190 -3.738 2.327 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.288 -5.260 3.534 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.697 -5.427 3.017 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.283 -3.819 3.656 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.557 -4.039 1.912 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.052 -6.683 1.626 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.874 -5.294 0.528 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.561 -6.001 1.308 1.00 0.12 H new ATOM 868 N GLU A 56 2.118 -1.837 3.845 1.00 0.09 N ATOM 869 CA GLU A 56 3.299 -0.924 3.882 1.00 0.09 C ATOM 870 C GLU A 56 4.532 -1.741 3.500 1.00 0.09 C ATOM 871 O GLU A 56 4.635 -2.904 3.839 1.00 0.10 O ATOM 872 CB GLU A 56 3.468 -0.353 5.295 1.00 0.09 C ATOM 873 CG GLU A 56 4.537 0.743 5.285 1.00 0.11 C ATOM 874 CD GLU A 56 4.482 1.525 6.599 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.413 2.010 6.933 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.509 1.625 7.250 1.00 1.31 O ATOM 0 H GLU A 56 2.297 -2.780 4.189 1.00 0.09 H new ATOM 0 HA GLU A 56 3.163 -0.094 3.188 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.521 0.053 5.649 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.753 -1.146 5.986 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.525 0.301 5.154 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.375 1.416 4.443 1.00 0.11 H new ATOM 883 N VAL A 57 5.457 -1.163 2.775 1.00 0.08 N ATOM 884 CA VAL A 57 6.665 -1.938 2.354 1.00 0.08 C ATOM 885 C VAL A 57 7.916 -1.057 2.385 1.00 0.09 C ATOM 886 O VAL A 57 7.908 0.077 1.944 1.00 0.14 O ATOM 887 CB VAL A 57 6.447 -2.454 0.929 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.654 -3.294 0.507 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.179 -3.312 0.887 1.00 0.09 C ATOM 0 H VAL A 57 5.429 -0.194 2.458 1.00 0.08 H new ATOM 0 HA VAL A 57 6.811 -2.769 3.044 1.00 0.08 H new ATOM 0 HB VAL A 57 6.334 -1.613 0.245 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.503 -3.664 -0.507 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.554 -2.680 0.539 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.766 -4.138 1.188 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.022 -3.680 -0.127 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.289 -4.157 1.567 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.322 -2.710 1.191 1.00 0.09 H new ATOM 899 N ASP A 58 9.002 -1.595 2.888 1.00 0.09 N ATOM 900 CA ASP A 58 10.285 -0.828 2.939 1.00 0.09 C ATOM 901 C ASP A 58 11.122 -1.236 1.722 1.00 0.10 C ATOM 902 O ASP A 58 11.692 -2.310 1.680 1.00 0.11 O ATOM 903 CB ASP A 58 11.036 -1.179 4.234 1.00 0.11 C ATOM 904 CG ASP A 58 12.044 -0.075 4.569 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.163 -0.155 4.090 1.00 1.06 O ATOM 906 OD2 ASP A 58 11.677 0.831 5.298 1.00 1.08 O ATOM 0 H ASP A 58 9.053 -2.540 3.268 1.00 0.09 H new ATOM 0 HA ASP A 58 10.097 0.245 2.924 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.328 -1.298 5.054 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.552 -2.132 4.118 1.00 0.11 H new ATOM 911 N VAL A 59 11.173 -0.405 0.723 1.00 0.12 N ATOM 912 CA VAL A 59 11.941 -0.754 -0.508 1.00 0.15 C ATOM 913 C VAL A 59 13.426 -0.959 -0.198 1.00 0.18 C ATOM 914 O VAL A 59 14.162 -1.462 -1.021 1.00 0.27 O ATOM 915 CB VAL A 59 11.797 0.379 -1.525 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.352 0.440 -2.015 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.165 1.708 -0.864 1.00 0.22 C ATOM 0 H VAL A 59 10.715 0.506 0.703 1.00 0.12 H new ATOM 0 HA VAL A 59 11.541 -1.685 -0.909 1.00 0.15 H new ATOM 0 HB VAL A 59 12.462 0.196 -2.369 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.247 1.247 -2.740 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.087 -0.507 -2.485 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.689 0.623 -1.170 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.062 2.516 -1.589 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.500 1.891 -0.020 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.195 1.666 -0.511 1.00 0.22 H new ATOM 927 N ASP A 60 13.883 -0.568 0.966 1.00 0.16 N ATOM 928 CA ASP A 60 15.338 -0.728 1.295 1.00 0.18 C ATOM 929 C ASP A 60 15.567 -1.948 2.190 1.00 0.17 C ATOM 930 O ASP A 60 16.520 -2.681 2.017 1.00 0.18 O ATOM 931 CB ASP A 60 15.828 0.522 2.028 1.00 0.21 C ATOM 932 CG ASP A 60 15.442 1.771 1.233 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.347 2.267 1.441 1.00 1.11 O ATOM 934 OD2 ASP A 60 16.251 2.214 0.436 1.00 1.08 O ATOM 0 H ASP A 60 13.316 -0.146 1.702 1.00 0.16 H new ATOM 0 HA ASP A 60 15.889 -0.867 0.365 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.391 0.565 3.026 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.910 0.480 2.155 1.00 0.21 H new ATOM 939 N ASP A 61 14.716 -2.170 3.154 1.00 0.17 N ATOM 940 CA ASP A 61 14.903 -3.339 4.066 1.00 0.17 C ATOM 941 C ASP A 61 14.120 -4.539 3.518 1.00 0.16 C ATOM 942 O ASP A 61 14.314 -5.661 3.943 1.00 0.18 O ATOM 943 CB ASP A 61 14.411 -2.952 5.471 1.00 0.19 C ATOM 944 CG ASP A 61 14.108 -4.204 6.304 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.112 -4.851 6.023 1.00 1.12 O ATOM 946 OD2 ASP A 61 14.876 -4.493 7.206 1.00 1.07 O ATOM 0 H ASP A 61 13.898 -1.593 3.351 1.00 0.17 H new ATOM 0 HA ASP A 61 15.955 -3.616 4.126 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.168 -2.349 5.973 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.515 -2.337 5.391 1.00 0.19 H new ATOM 951 N ALA A 62 13.250 -4.308 2.565 1.00 0.16 N ATOM 952 CA ALA A 62 12.455 -5.424 1.958 1.00 0.16 C ATOM 953 C ALA A 62 12.654 -5.395 0.439 1.00 0.16 C ATOM 954 O ALA A 62 11.714 -5.474 -0.326 1.00 0.15 O ATOM 955 CB ALA A 62 10.972 -5.236 2.298 1.00 0.17 C ATOM 0 H ALA A 62 13.054 -3.385 2.177 1.00 0.16 H new ATOM 0 HA ALA A 62 12.788 -6.384 2.353 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.392 -6.047 1.857 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.843 -5.244 3.380 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.625 -4.283 1.898 1.00 0.17 H new ATOM 961 N GLN A 63 13.880 -5.267 0.005 1.00 0.20 N ATOM 962 CA GLN A 63 14.168 -5.214 -1.458 1.00 0.22 C ATOM 963 C GLN A 63 13.624 -6.461 -2.162 1.00 0.20 C ATOM 964 O GLN A 63 13.538 -6.507 -3.373 1.00 0.20 O ATOM 965 CB GLN A 63 15.681 -5.135 -1.671 1.00 0.29 C ATOM 966 CG GLN A 63 16.372 -6.194 -0.810 1.00 0.90 C ATOM 967 CD GLN A 63 17.845 -6.296 -1.208 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.244 -5.788 -2.238 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.676 -6.934 -0.431 1.00 2.22 N ATOM 0 H GLN A 63 14.701 -5.196 0.607 1.00 0.20 H new ATOM 0 HA GLN A 63 13.682 -4.334 -1.879 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.920 -5.293 -2.723 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.045 -4.142 -1.407 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.287 -5.932 0.245 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.882 -7.159 -0.939 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.341 -7.360 0.433 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.661 -7.007 -0.688 1.00 2.22 H new ATOM 978 N ASP A 64 13.263 -7.475 -1.427 1.00 0.19 N ATOM 979 CA ASP A 64 12.738 -8.705 -2.080 1.00 0.20 C ATOM 980 C ASP A 64 11.363 -8.411 -2.684 1.00 0.17 C ATOM 981 O ASP A 64 11.044 -8.857 -3.769 1.00 0.19 O ATOM 982 CB ASP A 64 12.618 -9.823 -1.039 1.00 0.22 C ATOM 983 CG ASP A 64 12.090 -9.245 0.274 1.00 0.23 C ATOM 984 OD1 ASP A 64 10.881 -9.162 0.418 1.00 1.11 O ATOM 985 OD2 ASP A 64 12.903 -8.897 1.116 1.00 1.09 O ATOM 0 H ASP A 64 13.308 -7.505 -0.408 1.00 0.19 H new ATOM 0 HA ASP A 64 13.419 -9.021 -2.870 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.947 -10.601 -1.402 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.590 -10.290 -0.878 1.00 0.22 H new ATOM 990 N VAL A 65 10.551 -7.657 -1.998 1.00 0.15 N ATOM 991 CA VAL A 65 9.207 -7.332 -2.544 1.00 0.16 C ATOM 992 C VAL A 65 9.368 -6.296 -3.658 1.00 0.16 C ATOM 993 O VAL A 65 8.792 -6.415 -4.721 1.00 0.19 O ATOM 994 CB VAL A 65 8.326 -6.767 -1.421 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.849 -6.903 -1.803 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.598 -7.542 -0.126 1.00 0.18 C ATOM 0 H VAL A 65 10.760 -7.253 -1.085 1.00 0.15 H new ATOM 0 HA VAL A 65 8.735 -8.228 -2.946 1.00 0.16 H new ATOM 0 HB VAL A 65 8.559 -5.713 -1.271 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.228 -6.501 -1.003 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.659 -6.350 -2.723 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.608 -7.955 -1.955 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.974 -7.144 0.674 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.365 -8.596 -0.277 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.648 -7.438 0.147 1.00 0.18 H new ATOM 1006 N ALA A 66 10.162 -5.284 -3.424 1.00 0.16 N ATOM 1007 CA ALA A 66 10.376 -4.245 -4.470 1.00 0.18 C ATOM 1008 C ALA A 66 11.035 -4.895 -5.686 1.00 0.19 C ATOM 1009 O ALA A 66 10.797 -4.514 -6.814 1.00 0.20 O ATOM 1010 CB ALA A 66 11.290 -3.144 -3.923 1.00 0.22 C ATOM 0 H ALA A 66 10.671 -5.134 -2.553 1.00 0.16 H new ATOM 0 HA ALA A 66 9.419 -3.808 -4.755 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.445 -2.385 -4.690 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.826 -2.687 -3.049 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.250 -3.575 -3.640 1.00 0.22 H new ATOM 1016 N SER A 67 11.865 -5.879 -5.461 1.00 0.21 N ATOM 1017 CA SER A 67 12.540 -6.560 -6.600 1.00 0.26 C ATOM 1018 C SER A 67 11.490 -7.255 -7.468 1.00 0.26 C ATOM 1019 O SER A 67 11.470 -7.109 -8.673 1.00 0.29 O ATOM 1020 CB SER A 67 13.527 -7.596 -6.063 1.00 0.31 C ATOM 1021 OG SER A 67 14.620 -6.926 -5.445 1.00 1.29 O ATOM 0 H SER A 67 12.104 -6.239 -4.537 1.00 0.21 H new ATOM 0 HA SER A 67 13.078 -5.825 -7.198 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.032 -8.249 -5.344 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.885 -8.229 -6.875 1.00 0.31 H new ATOM 0 HG SER A 67 14.472 -6.882 -4.477 1.00 1.29 H new ATOM 1027 N GLU A 68 10.616 -8.010 -6.860 1.00 0.26 N ATOM 1028 CA GLU A 68 9.565 -8.716 -7.646 1.00 0.30 C ATOM 1029 C GLU A 68 8.653 -7.687 -8.319 1.00 0.31 C ATOM 1030 O GLU A 68 8.202 -7.878 -9.431 1.00 0.36 O ATOM 1031 CB GLU A 68 8.738 -9.599 -6.711 1.00 0.31 C ATOM 1032 CG GLU A 68 7.828 -10.508 -7.539 1.00 0.39 C ATOM 1033 CD GLU A 68 6.942 -11.333 -6.603 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.584 -10.822 -5.555 1.00 2.19 O ATOM 1035 OE2 GLU A 68 6.638 -12.463 -6.950 1.00 2.20 O ATOM 0 H GLU A 68 10.584 -8.168 -5.853 1.00 0.26 H new ATOM 0 HA GLU A 68 10.036 -9.336 -8.409 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.397 -10.200 -6.084 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.140 -8.979 -6.043 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.210 -9.909 -8.208 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.428 -11.168 -8.165 1.00 0.39 H new ATOM 1042 N ALA A 69 8.373 -6.597 -7.653 1.00 0.29 N ATOM 1043 CA ALA A 69 7.486 -5.556 -8.256 1.00 0.31 C ATOM 1044 C ALA A 69 8.325 -4.587 -9.092 1.00 0.29 C ATOM 1045 O ALA A 69 7.807 -3.691 -9.728 1.00 0.33 O ATOM 1046 CB ALA A 69 6.778 -4.784 -7.141 1.00 0.31 C ATOM 0 H ALA A 69 8.720 -6.382 -6.718 1.00 0.29 H new ATOM 0 HA ALA A 69 6.746 -6.037 -8.895 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.131 -4.024 -7.579 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.178 -5.473 -6.546 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.520 -4.304 -6.503 1.00 0.31 H new ATOM 1052 N GLU A 70 9.616 -4.765 -9.102 1.00 0.27 N ATOM 1053 CA GLU A 70 10.495 -3.863 -9.902 1.00 0.29 C ATOM 1054 C GLU A 70 10.143 -2.398 -9.626 1.00 0.25 C ATOM 1055 O GLU A 70 9.851 -1.641 -10.530 1.00 0.26 O ATOM 1056 CB GLU A 70 10.305 -4.155 -11.392 1.00 0.38 C ATOM 1057 CG GLU A 70 10.798 -5.570 -11.707 1.00 1.18 C ATOM 1058 CD GLU A 70 9.799 -6.594 -11.166 1.00 1.61 C ATOM 1059 OE1 GLU A 70 8.616 -6.296 -11.167 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.234 -7.659 -10.761 1.00 2.06 O ATOM 0 H GLU A 70 10.104 -5.499 -8.589 1.00 0.27 H new ATOM 0 HA GLU A 70 11.533 -4.040 -9.619 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.253 -4.058 -11.660 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.855 -3.427 -11.988 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.914 -5.694 -12.784 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.779 -5.732 -11.260 1.00 1.18 H new ATOM 1067 N VAL A 71 10.182 -1.987 -8.388 1.00 0.22 N ATOM 1068 CA VAL A 71 9.866 -0.564 -8.068 1.00 0.19 C ATOM 1069 C VAL A 71 11.085 0.297 -8.400 1.00 0.23 C ATOM 1070 O VAL A 71 12.199 -0.030 -8.037 1.00 0.28 O ATOM 1071 CB VAL A 71 9.531 -0.433 -6.584 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.036 0.985 -6.309 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.428 -1.430 -6.217 1.00 0.19 C ATOM 0 H VAL A 71 10.418 -2.572 -7.586 1.00 0.22 H new ATOM 0 HA VAL A 71 9.009 -0.233 -8.654 1.00 0.19 H new ATOM 0 HB VAL A 71 10.420 -0.640 -5.989 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.794 1.087 -5.251 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.815 1.700 -6.574 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.145 1.181 -6.905 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.190 -1.335 -5.158 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.537 -1.221 -6.809 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.771 -2.444 -6.423 1.00 0.19 H new ATOM 1083 N LYS A 72 10.886 1.388 -9.102 1.00 0.24 N ATOM 1084 CA LYS A 72 12.034 2.275 -9.485 1.00 0.29 C ATOM 1085 C LYS A 72 11.752 3.714 -9.044 1.00 0.26 C ATOM 1086 O LYS A 72 12.559 4.600 -9.242 1.00 0.27 O ATOM 1087 CB LYS A 72 12.211 2.228 -11.006 1.00 0.35 C ATOM 1088 CG LYS A 72 12.737 0.844 -11.415 1.00 0.43 C ATOM 1089 CD LYS A 72 12.474 0.606 -12.904 1.00 1.16 C ATOM 1090 CE LYS A 72 12.919 -0.808 -13.281 1.00 1.66 C ATOM 1091 NZ LYS A 72 12.375 -1.160 -14.624 1.00 2.40 N ATOM 0 H LYS A 72 9.973 1.705 -9.428 1.00 0.24 H new ATOM 0 HA LYS A 72 12.944 1.928 -8.995 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.261 2.429 -11.500 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.907 3.003 -11.326 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.805 0.776 -11.210 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.249 0.070 -10.822 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.414 0.735 -13.122 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.014 1.340 -13.502 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.007 -0.868 -13.291 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.567 -1.522 -12.536 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 12.678 -2.121 -14.880 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 11.336 -1.119 -14.599 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 12.731 -0.485 -15.331 1.00 2.40 H new ATOM 1105 N ALA A 73 10.618 3.956 -8.443 1.00 0.22 N ATOM 1106 CA ALA A 73 10.294 5.344 -7.983 1.00 0.20 C ATOM 1107 C ALA A 73 9.357 5.259 -6.773 1.00 0.18 C ATOM 1108 O ALA A 73 8.325 4.629 -6.833 1.00 0.16 O ATOM 1109 CB ALA A 73 9.617 6.122 -9.134 1.00 0.21 C ATOM 0 H ALA A 73 9.901 3.256 -8.250 1.00 0.22 H new ATOM 0 HA ALA A 73 11.206 5.868 -7.696 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.381 7.132 -8.801 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.293 6.170 -9.988 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.699 5.613 -9.427 1.00 0.21 H new ATOM 1115 N THR A 74 9.709 5.898 -5.680 1.00 0.18 N ATOM 1116 CA THR A 74 8.834 5.860 -4.461 1.00 0.17 C ATOM 1117 C THR A 74 8.257 7.268 -4.228 1.00 0.17 C ATOM 1118 O THR A 74 8.903 8.240 -4.567 1.00 0.19 O ATOM 1119 CB THR A 74 9.685 5.464 -3.236 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.880 6.228 -3.236 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.056 3.967 -3.265 1.00 0.19 C ATOM 0 H THR A 74 10.564 6.444 -5.579 1.00 0.18 H new ATOM 0 HA THR A 74 8.030 5.137 -4.602 1.00 0.17 H new ATOM 0 HB THR A 74 9.098 5.658 -2.338 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.425 5.983 -2.459 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.655 3.724 -2.388 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.146 3.367 -3.261 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.629 3.752 -4.167 1.00 0.19 H new ATOM 1129 N PRO A 75 7.077 7.368 -3.639 1.00 0.17 N ATOM 1130 CA PRO A 75 6.244 6.219 -3.204 1.00 0.16 C ATOM 1131 C PRO A 75 5.535 5.593 -4.419 1.00 0.14 C ATOM 1132 O PRO A 75 5.152 6.288 -5.341 1.00 0.14 O ATOM 1133 CB PRO A 75 5.207 6.845 -2.241 1.00 0.17 C ATOM 1134 CG PRO A 75 5.304 8.390 -2.398 1.00 0.20 C ATOM 1135 CD PRO A 75 6.495 8.686 -3.336 1.00 0.19 C ATOM 0 HA PRO A 75 6.827 5.428 -2.733 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.202 6.497 -2.479 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.411 6.550 -1.212 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.380 8.792 -2.813 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.452 8.866 -1.428 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.166 9.191 -4.244 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.224 9.338 -2.855 1.00 0.19 H new ATOM 1143 N THR A 76 5.341 4.291 -4.416 1.00 0.13 N ATOM 1144 CA THR A 76 4.635 3.622 -5.561 1.00 0.12 C ATOM 1145 C THR A 76 3.356 2.987 -5.023 1.00 0.12 C ATOM 1146 O THR A 76 3.403 2.096 -4.197 1.00 0.18 O ATOM 1147 CB THR A 76 5.525 2.519 -6.169 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.871 2.955 -6.160 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.101 2.241 -7.619 1.00 0.13 C ATOM 0 H THR A 76 5.641 3.663 -3.670 1.00 0.13 H new ATOM 0 HA THR A 76 4.411 4.358 -6.334 1.00 0.12 H new ATOM 0 HB THR A 76 5.419 1.607 -5.581 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.952 3.777 -6.687 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.735 1.461 -8.040 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.062 1.913 -7.638 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.205 3.151 -8.209 1.00 0.13 H new ATOM 1157 N PHE A 77 2.215 3.422 -5.480 1.00 0.09 N ATOM 1158 CA PHE A 77 0.944 2.821 -4.983 1.00 0.09 C ATOM 1159 C PHE A 77 0.524 1.706 -5.923 1.00 0.09 C ATOM 1160 O PHE A 77 0.195 1.935 -7.068 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.157 3.876 -4.930 1.00 0.10 C ATOM 1162 CG PHE A 77 0.155 4.850 -3.828 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.098 4.489 -2.495 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.698 6.114 -4.130 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.190 5.393 -1.457 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.987 7.019 -3.093 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.734 6.661 -1.756 1.00 0.12 C ATOM 0 H PHE A 77 2.107 4.163 -6.172 1.00 0.09 H new ATOM 0 HA PHE A 77 1.104 2.428 -3.979 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.226 4.397 -5.885 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.123 3.404 -4.753 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.513 3.518 -2.267 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.892 6.388 -5.156 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.005 5.117 -0.431 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.403 7.989 -3.323 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.956 7.356 -0.959 1.00 0.12 H new ATOM 1177 N GLN A 78 0.530 0.497 -5.436 1.00 0.07 N ATOM 1178 CA GLN A 78 0.128 -0.668 -6.272 1.00 0.07 C ATOM 1179 C GLN A 78 -1.142 -1.252 -5.665 1.00 0.06 C ATOM 1180 O GLN A 78 -1.277 -1.348 -4.461 1.00 0.07 O ATOM 1181 CB GLN A 78 1.256 -1.704 -6.259 1.00 0.08 C ATOM 1182 CG GLN A 78 2.603 -0.986 -6.337 1.00 0.12 C ATOM 1183 CD GLN A 78 3.699 -1.996 -6.681 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.621 -1.685 -7.407 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.634 -3.202 -6.187 1.00 1.03 N ATOM 0 H GLN A 78 0.800 0.264 -4.481 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.057 -0.372 -7.305 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.203 -2.304 -5.351 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.146 -2.388 -7.100 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.566 -0.202 -7.093 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.825 -0.502 -5.386 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.859 -3.462 -5.577 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.358 -3.884 -6.411 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.090 -1.608 -6.488 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.382 -2.150 -5.971 1.00 0.07 C ATOM 1196 C PHE A 79 -3.454 -3.649 -6.233 1.00 0.07 C ATOM 1197 O PHE A 79 -3.203 -4.115 -7.326 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.534 -1.436 -6.685 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.520 0.024 -6.292 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.497 0.861 -6.758 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.512 0.538 -5.445 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.462 2.218 -6.383 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.482 1.891 -5.059 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.457 2.733 -5.529 1.00 0.11 C ATOM 0 H PHE A 79 -2.026 -1.547 -7.504 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.454 -1.981 -4.897 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.429 -1.537 -7.765 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.486 -1.891 -6.413 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.732 0.463 -7.408 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.302 -0.106 -5.088 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.675 2.861 -6.749 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.245 2.283 -4.403 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.433 3.772 -5.236 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.800 -4.403 -5.221 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.901 -5.883 -5.363 1.00 0.08 C ATOM 1216 C PHE A 80 -5.293 -6.324 -4.920 1.00 0.11 C ATOM 1217 O PHE A 80 -5.959 -5.652 -4.157 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.848 -6.558 -4.475 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.488 -6.467 -5.132 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.119 -7.401 -6.118 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.588 -5.454 -4.752 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.152 -7.322 -6.722 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.680 -5.373 -5.356 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.050 -6.306 -6.340 1.00 0.14 C ATOM 0 H PHE A 80 -4.019 -4.049 -4.290 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.731 -6.167 -6.401 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.822 -6.078 -3.497 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.113 -7.602 -4.310 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.809 -8.178 -6.412 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.871 -4.737 -3.995 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.437 -8.040 -7.477 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.369 -4.594 -5.064 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.023 -6.244 -6.804 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.736 -7.450 -5.395 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.082 -7.946 -5.007 1.00 0.14 C ATOM 1236 C LYS A 81 -7.080 -9.464 -5.166 1.00 0.14 C ATOM 1237 O LYS A 81 -6.738 -9.978 -6.211 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.139 -7.308 -5.923 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.518 -7.356 -5.251 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.520 -6.546 -6.079 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.802 -6.338 -5.270 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.887 -5.859 -6.174 1.00 1.48 N ATOM 0 H LYS A 81 -5.222 -8.052 -6.038 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.318 -7.682 -3.976 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.867 -6.275 -6.140 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.172 -7.836 -6.876 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.855 -8.389 -5.162 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.456 -6.953 -4.240 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.089 -5.583 -6.350 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.745 -7.068 -7.009 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.098 -7.271 -4.791 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.630 -5.613 -4.475 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.759 -5.717 -5.625 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.603 -4.959 -6.611 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.057 -6.566 -6.917 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.432 -10.183 -4.136 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.427 -11.670 -4.224 1.00 0.20 C ATOM 1258 C LYS A 82 -6.031 -12.158 -4.631 1.00 0.20 C ATOM 1259 O LYS A 82 -5.860 -13.284 -5.053 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.457 -12.140 -5.266 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.865 -12.124 -4.663 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.897 -12.252 -5.789 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.309 -12.176 -5.208 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.296 -12.558 -6.258 1.00 1.67 N ATOM 0 H LYS A 82 -7.724 -9.804 -3.235 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.689 -12.083 -3.250 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.421 -11.492 -6.142 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.210 -13.146 -5.604 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.979 -12.944 -3.954 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.026 -11.199 -4.109 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.751 -11.457 -6.520 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.760 -13.197 -6.314 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.398 -12.842 -4.350 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.514 -11.167 -4.851 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.258 -12.507 -5.865 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.216 -11.905 -7.064 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.104 -13.529 -6.578 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.028 -11.327 -4.500 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.641 -11.757 -4.869 1.00 0.21 C ATOM 1280 C GLY A 83 -3.307 -11.319 -6.297 1.00 0.19 C ATOM 1281 O GLY A 83 -2.220 -11.567 -6.783 1.00 0.22 O ATOM 0 H GLY A 83 -5.107 -10.371 -4.154 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.922 -11.325 -4.172 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.555 -12.840 -4.785 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.225 -10.676 -6.977 1.00 0.16 N ATOM 1286 CA GLN A 84 -3.954 -10.226 -8.386 1.00 0.17 C ATOM 1287 C GLN A 84 -3.835 -8.703 -8.444 1.00 0.16 C ATOM 1288 O GLN A 84 -4.455 -7.990 -7.682 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.110 -10.654 -9.293 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.444 -12.133 -9.065 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.167 -12.976 -9.116 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -3.646 -13.248 -10.179 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.639 -13.399 -8.000 1.00 2.08 N ATOM 0 H GLN A 84 -5.151 -10.442 -6.620 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.021 -10.680 -8.719 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -5.988 -10.040 -9.090 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -4.842 -10.491 -10.337 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.933 -12.258 -8.099 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.146 -12.476 -9.825 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.078 -13.169 -7.109 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -2.787 -13.959 -8.019 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.046 -8.204 -9.360 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.880 -6.729 -9.496 1.00 0.17 C ATOM 1304 C LYS A 85 -3.989 -6.180 -10.399 1.00 0.16 C ATOM 1305 O LYS A 85 -4.387 -6.816 -11.356 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.511 -6.425 -10.110 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.127 -4.976 -9.785 1.00 0.25 C ATOM 1308 CD LYS A 85 0.207 -4.618 -10.449 1.00 0.30 C ATOM 1309 CE LYS A 85 1.398 -5.244 -9.685 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.210 -4.158 -9.067 1.00 1.70 N ATOM 0 H LYS A 85 -2.507 -8.760 -10.023 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.944 -6.257 -8.515 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.761 -7.111 -9.715 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.542 -6.573 -11.189 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.907 -4.299 -10.133 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.050 -4.846 -8.705 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.208 -4.969 -11.481 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.321 -3.534 -10.481 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.034 -5.925 -8.916 1.00 0.89 H new ATOM 0 HE3 LYS A 85 2.014 -5.832 -10.366 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.545 -4.464 -8.131 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 3.027 -3.947 -9.675 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 1.626 -3.304 -8.963 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.499 -5.009 -10.094 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.597 -4.414 -10.922 1.00 0.16 C ATOM 1326 C VAL A 86 -5.218 -2.993 -11.364 1.00 0.18 C ATOM 1327 O VAL A 86 -5.772 -2.465 -12.307 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.878 -4.365 -10.082 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.485 -5.767 -9.992 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.541 -3.872 -8.674 1.00 0.17 C ATOM 0 H VAL A 86 -4.200 -4.438 -9.304 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.754 -5.026 -11.810 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.592 -3.687 -10.549 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.396 -5.731 -9.394 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.722 -6.126 -10.994 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.770 -6.444 -9.524 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.450 -3.836 -8.074 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.827 -4.553 -8.211 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.105 -2.875 -8.732 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.283 -2.368 -10.697 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.892 -0.984 -11.103 1.00 0.18 C ATOM 1342 C GLY A 87 -2.690 -0.513 -10.278 1.00 0.10 C ATOM 1343 O GLY A 87 -2.261 -1.177 -9.355 1.00 0.08 O ATOM 0 H GLY A 87 -3.778 -2.750 -9.897 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.645 -0.964 -12.164 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.731 -0.304 -10.959 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.141 0.631 -10.604 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.969 1.141 -9.837 1.00 0.10 C ATOM 1349 C GLU A 88 -0.612 2.557 -10.292 1.00 0.10 C ATOM 1350 O GLU A 88 -0.880 2.950 -11.410 1.00 0.11 O ATOM 1351 CB GLU A 88 0.233 0.223 -10.072 1.00 0.17 C ATOM 1352 CG GLU A 88 0.460 0.047 -11.575 1.00 0.25 C ATOM 1353 CD GLU A 88 1.601 -0.947 -11.804 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.619 -0.811 -11.145 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.438 -1.826 -12.634 1.00 2.04 O ATOM 0 H GLU A 88 -2.455 1.231 -11.367 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.224 1.159 -8.777 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.123 0.647 -9.607 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.060 -0.746 -9.604 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.452 -0.313 -12.052 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.702 1.006 -12.032 1.00 0.25 H new ATOM 1362 N PHE A 89 0.011 3.318 -9.432 1.00 0.09 N ATOM 1363 CA PHE A 89 0.412 4.702 -9.811 1.00 0.09 C ATOM 1364 C PHE A 89 1.356 5.284 -8.755 1.00 0.09 C ATOM 1365 O PHE A 89 1.101 5.222 -7.573 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.830 5.597 -9.995 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.416 6.041 -8.666 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.755 7.012 -7.880 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.640 5.498 -8.223 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.317 7.431 -6.661 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.200 5.922 -7.003 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.540 6.888 -6.223 1.00 0.11 C ATOM 0 H PHE A 89 0.259 3.040 -8.483 1.00 0.09 H new ATOM 0 HA PHE A 89 0.941 4.665 -10.763 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.560 6.474 -10.583 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.587 5.054 -10.561 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.182 7.432 -8.216 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.148 4.756 -8.821 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.810 8.171 -6.060 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.137 5.505 -6.666 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.971 7.213 -5.288 1.00 0.11 H new ATOM 1382 N SER A 90 2.455 5.854 -9.183 1.00 0.13 N ATOM 1383 CA SER A 90 3.433 6.457 -8.220 1.00 0.14 C ATOM 1384 C SER A 90 3.277 7.977 -8.247 1.00 0.14 C ATOM 1385 O SER A 90 2.327 8.502 -8.793 1.00 0.17 O ATOM 1386 CB SER A 90 4.852 6.084 -8.646 1.00 0.15 C ATOM 1387 OG SER A 90 5.274 6.954 -9.687 1.00 0.16 O ATOM 0 H SER A 90 2.720 5.929 -10.165 1.00 0.13 H new ATOM 0 HA SER A 90 3.246 6.084 -7.213 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.531 6.159 -7.796 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.881 5.049 -8.987 1.00 0.15 H new ATOM 0 HG SER A 90 6.186 7.263 -9.506 1.00 0.16 H new ATOM 1393 N GLY A 91 4.198 8.688 -7.660 1.00 0.12 N ATOM 1394 CA GLY A 91 4.101 10.178 -7.649 1.00 0.13 C ATOM 1395 C GLY A 91 3.248 10.617 -6.460 1.00 0.13 C ATOM 1396 O GLY A 91 2.154 10.128 -6.255 1.00 0.13 O ATOM 0 H GLY A 91 5.015 8.303 -7.186 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.096 10.619 -7.581 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.659 10.532 -8.580 1.00 0.13 H new ATOM 1400 N ALA A 92 3.742 11.523 -5.665 1.00 0.15 N ATOM 1401 CA ALA A 92 2.960 11.975 -4.480 1.00 0.17 C ATOM 1402 C ALA A 92 1.582 12.494 -4.913 1.00 0.15 C ATOM 1403 O ALA A 92 1.429 13.641 -5.282 1.00 0.16 O ATOM 1404 CB ALA A 92 3.724 13.093 -3.753 1.00 0.20 C ATOM 0 H ALA A 92 4.651 11.970 -5.783 1.00 0.15 H new ATOM 0 HA ALA A 92 2.822 11.128 -3.808 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.150 13.422 -2.887 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.693 12.717 -3.425 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.871 13.934 -4.431 1.00 0.20 H new ATOM 1410 N ASN A 93 0.575 11.662 -4.842 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.804 12.100 -5.219 1.00 0.13 C ATOM 1412 C ASN A 93 -1.794 11.472 -4.227 1.00 0.12 C ATOM 1413 O ASN A 93 -2.534 10.568 -4.561 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.126 11.640 -6.649 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.259 12.494 -7.225 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.265 12.803 -8.400 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.222 12.894 -6.440 1.00 1.15 N ATOM 0 H ASN A 93 0.649 10.691 -4.537 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.878 13.187 -5.183 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.239 11.725 -7.277 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.415 10.589 -6.646 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.980 13.466 -6.813 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.217 12.635 -5.454 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.793 11.933 -3.004 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.711 11.351 -1.979 1.00 0.20 C ATOM 1426 C LYS A 94 -4.171 11.552 -2.392 1.00 0.18 C ATOM 1427 O LYS A 94 -5.025 10.746 -2.081 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.469 12.037 -0.625 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.357 13.574 -0.812 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.878 14.011 -0.814 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.379 14.179 0.627 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.802 15.511 1.143 1.00 1.19 N ATOM 0 H LYS A 94 -1.195 12.689 -2.669 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.510 10.283 -1.896 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.286 11.806 0.059 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.555 11.651 -0.172 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.831 13.868 -1.749 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.892 14.084 -0.011 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.272 13.269 -1.333 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.768 14.949 -1.357 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.782 13.387 1.258 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.707 14.091 0.660 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.039 16.072 1.386 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.351 16.008 0.413 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.390 15.384 1.991 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.474 12.614 -3.080 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.886 12.845 -3.493 1.00 0.20 C ATOM 1448 C GLU A 95 -6.310 11.745 -4.469 1.00 0.17 C ATOM 1449 O GLU A 95 -7.469 11.393 -4.564 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.992 14.207 -4.181 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.902 15.321 -3.134 1.00 0.33 C ATOM 1452 CD GLU A 95 -7.214 15.394 -2.352 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -8.167 15.942 -2.881 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.243 14.901 -1.236 1.00 1.86 O ATOM 0 H GLU A 95 -3.810 13.330 -3.374 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.536 12.827 -2.618 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.193 14.318 -4.914 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.935 14.279 -4.723 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -5.072 15.130 -2.454 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.702 16.276 -3.620 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.371 11.202 -5.192 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.694 10.123 -6.166 1.00 0.14 C ATOM 1463 C LYS A 96 -6.052 8.839 -5.413 1.00 0.12 C ATOM 1464 O LYS A 96 -6.892 8.074 -5.840 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.480 9.880 -7.070 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.844 8.874 -8.160 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.690 8.746 -9.157 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.168 7.997 -10.403 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.046 7.890 -11.379 1.00 2.05 N ATOM 0 H LYS A 96 -4.386 11.462 -5.149 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.545 10.422 -6.777 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.156 10.818 -7.521 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.644 9.505 -6.480 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.060 7.903 -7.714 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.748 9.196 -8.677 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.323 9.735 -9.433 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.857 8.214 -8.698 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.522 7.003 -10.129 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.009 8.522 -10.856 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.374 8.189 -12.319 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.262 8.502 -11.075 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.718 6.904 -11.424 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.423 8.597 -4.293 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.736 7.360 -3.519 1.00 0.11 C ATOM 1485 C LEU A 97 -7.247 7.261 -3.314 1.00 0.11 C ATOM 1486 O LEU A 97 -7.822 6.192 -3.353 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.052 7.417 -2.139 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.576 7.016 -2.244 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.907 7.269 -0.886 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.454 5.520 -2.629 1.00 0.13 C ATOM 0 H LEU A 97 -4.709 9.199 -3.882 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.373 6.493 -4.072 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.131 8.424 -1.731 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.566 6.751 -1.446 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.085 7.607 -3.017 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.855 6.989 -0.941 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.989 8.326 -0.631 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.402 6.672 -0.120 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.401 5.247 -2.700 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.936 4.908 -1.867 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.939 5.351 -3.591 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.889 8.367 -3.078 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.363 8.331 -2.850 1.00 0.14 C ATOM 1504 C GLU A 98 -10.076 7.894 -4.133 1.00 0.13 C ATOM 1505 O GLU A 98 -10.834 6.944 -4.143 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.851 9.725 -2.448 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.305 9.644 -1.977 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.370 8.911 -0.636 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.101 9.540 0.375 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -11.686 7.732 -0.642 1.00 2.05 O ATOM 0 H GLU A 98 -7.462 9.292 -3.032 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.586 7.621 -2.054 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.222 10.126 -1.653 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.770 10.408 -3.294 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.721 10.646 -1.876 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.909 9.121 -2.718 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.848 8.593 -5.210 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.522 8.241 -6.495 1.00 0.14 C ATOM 1519 C ALA A 99 -10.152 6.821 -6.940 1.00 0.12 C ATOM 1520 O ALA A 99 -10.978 6.100 -7.461 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.094 9.234 -7.575 1.00 0.15 C ATOM 0 H ALA A 99 -9.222 9.397 -5.257 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.601 8.286 -6.344 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.583 8.982 -8.516 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.380 10.242 -7.276 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -9.013 9.187 -7.704 1.00 0.15 H new ATOM 1527 N THR A 100 -8.923 6.418 -6.765 1.00 0.11 N ATOM 1528 CA THR A 100 -8.521 5.049 -7.213 1.00 0.11 C ATOM 1529 C THR A 100 -9.236 3.987 -6.378 1.00 0.10 C ATOM 1530 O THR A 100 -9.753 3.018 -6.900 1.00 0.11 O ATOM 1531 CB THR A 100 -7.008 4.882 -7.060 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.355 6.015 -7.604 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.552 3.625 -7.805 1.00 0.12 C ATOM 0 H THR A 100 -8.182 6.971 -6.334 1.00 0.11 H new ATOM 0 HA THR A 100 -8.800 4.926 -8.259 1.00 0.11 H new ATOM 0 HB THR A 100 -6.758 4.786 -6.003 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.453 6.774 -6.992 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.474 3.508 -7.695 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.056 2.753 -7.389 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.801 3.718 -8.862 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.270 4.154 -5.088 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.954 3.146 -4.226 1.00 0.11 C ATOM 1543 C ILE A 101 -11.431 3.059 -4.624 1.00 0.13 C ATOM 1544 O ILE A 101 -11.943 1.995 -4.906 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.833 3.570 -2.753 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.369 3.409 -2.294 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.746 2.689 -1.887 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -8.094 4.262 -1.046 1.00 0.18 C ATOM 0 H ILE A 101 -8.855 4.942 -4.591 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.488 2.170 -4.358 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.135 4.612 -2.647 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.164 2.361 -2.076 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.696 3.705 -3.099 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.659 2.991 -0.843 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.780 2.805 -2.213 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.448 1.645 -1.989 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -7.056 4.134 -0.739 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.278 5.312 -1.275 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.753 3.947 -0.237 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.120 4.167 -4.645 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.563 4.142 -5.018 1.00 0.17 C ATOM 1562 C ASN A 102 -13.722 3.570 -6.428 1.00 0.18 C ATOM 1563 O ASN A 102 -14.797 3.173 -6.831 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.120 5.567 -4.984 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.645 5.523 -5.091 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.185 5.007 -6.050 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.369 6.047 -4.140 1.00 1.03 N ATOM 0 H ASN A 102 -11.746 5.089 -4.420 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.108 3.517 -4.311 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.824 6.062 -4.059 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.704 6.151 -5.805 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.387 6.023 -4.202 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.917 6.480 -3.335 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.662 3.537 -7.185 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.751 3.004 -8.574 1.00 0.18 C ATOM 1576 C GLU A 103 -12.802 1.473 -8.554 1.00 0.19 C ATOM 1577 O GLU A 103 -13.738 0.866 -9.035 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.519 3.459 -9.367 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.801 3.354 -10.868 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.794 4.442 -11.281 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -13.065 5.309 -10.466 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.267 4.390 -12.405 1.00 2.02 O ATOM 0 H GLU A 103 -11.736 3.857 -6.902 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.659 3.382 -9.043 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.266 4.487 -9.106 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.659 2.843 -9.105 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.874 3.461 -11.431 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.205 2.370 -11.104 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.784 0.847 -8.028 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.743 -0.646 -8.002 1.00 0.19 C ATOM 1591 C LEU A 104 -12.347 -1.177 -6.696 1.00 0.19 C ATOM 1592 O LEU A 104 -12.111 -2.305 -6.313 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.281 -1.101 -8.114 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.655 -0.549 -9.409 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.129 -0.575 -9.292 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.079 -1.401 -10.612 1.00 0.35 C ATOM 0 H LEU A 104 -10.974 1.307 -7.613 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.325 -1.037 -8.836 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.716 -0.752 -7.250 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.229 -2.190 -8.111 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.000 0.474 -9.555 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.687 -0.184 -10.209 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.818 0.041 -8.448 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.793 -1.600 -9.136 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.629 -0.999 -11.520 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.745 -2.428 -10.466 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.165 -1.382 -10.706 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.131 -0.385 -6.014 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.747 -0.871 -4.744 1.00 0.22 C ATOM 1610 C VAL A 105 -14.707 -2.020 -5.055 1.00 0.26 C ATOM 1611 O VAL A 105 -14.694 -2.993 -4.318 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.516 0.266 -4.068 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.684 0.696 -4.958 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.054 -0.219 -2.719 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.440 -1.908 -6.024 1.00 1.18 O ATOM 0 H VAL A 105 -13.371 0.571 -6.278 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.961 -1.218 -4.073 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.849 1.114 -3.913 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.231 1.506 -4.475 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.302 1.039 -5.919 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.353 -0.150 -5.115 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.603 0.589 -2.234 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.721 -1.067 -2.877 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.222 -0.525 -2.084 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.128 0.649 6.866 1.00 0.00 N ATOM 1627 CA PHE B 1 22.736 1.512 5.717 1.00 0.00 C ATOM 1628 C PHE B 1 21.549 0.861 4.989 1.00 0.00 C ATOM 1629 O PHE B 1 21.372 -0.340 5.028 1.00 0.00 O ATOM 1630 CB PHE B 1 23.963 1.688 4.776 1.00 0.00 C ATOM 1631 CG PHE B 1 23.767 0.961 3.458 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.983 -0.428 3.379 1.00 0.00 C ATOM 1633 CD2 PHE B 1 23.362 1.676 2.316 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.794 -1.101 2.156 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.172 1.005 1.095 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.388 -0.384 1.014 1.00 0.00 C ATOM 0 H1 PHE B 1 24.118 0.840 7.121 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.514 0.855 7.680 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.026 -0.351 6.600 1.00 0.00 H new ATOM 0 HA PHE B 1 22.426 2.500 6.058 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.127 2.749 4.586 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.858 1.311 5.270 1.00 0.00 H new ATOM 0 HD1 PHE B 1 24.293 -0.977 4.256 1.00 0.00 H new ATOM 0 HD2 PHE B 1 23.197 2.742 2.377 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.960 -2.166 2.094 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.860 1.555 0.219 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.242 -0.899 0.076 1.00 0.00 H new ATOM 1648 N ARG B 2 20.740 1.640 4.323 1.00 0.00 N ATOM 1649 CA ARG B 2 19.580 1.050 3.598 1.00 0.00 C ATOM 1650 C ARG B 2 19.022 2.075 2.591 1.00 0.00 C ATOM 1651 O ARG B 2 17.889 2.510 2.669 1.00 0.00 O ATOM 1652 CB ARG B 2 18.513 0.611 4.622 1.00 0.00 C ATOM 1653 CG ARG B 2 17.703 1.821 5.153 1.00 0.00 C ATOM 1654 CD ARG B 2 17.410 1.670 6.654 1.00 0.00 C ATOM 1655 NE ARG B 2 16.433 0.565 6.859 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.262 0.058 8.048 1.00 0.00 C ATOM 1657 NH1 ARG B 2 16.966 0.502 9.053 1.00 0.00 N ATOM 1658 NH2 ARG B 2 15.388 -0.893 8.233 1.00 0.00 N ATOM 0 H ARG B 2 20.832 2.653 4.250 1.00 0.00 H new ATOM 0 HA ARG B 2 19.892 0.170 3.035 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.836 -0.106 4.158 1.00 0.00 H new ATOM 0 HB3 ARG B 2 18.996 0.101 5.456 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.260 2.741 4.978 1.00 0.00 H new ATOM 0 HG3 ARG B 2 16.766 1.906 4.602 1.00 0.00 H new ATOM 0 HD2 ARG B 2 18.332 1.460 7.196 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.010 2.602 7.053 1.00 0.00 H new ATOM 0 HE ARG B 2 15.898 0.205 6.069 1.00 0.00 H new ATOM 0 HH11 ARG B 2 17.649 1.245 8.908 1.00 0.00 H new ATOM 0 HH12 ARG B 2 16.833 0.106 9.983 1.00 0.00 H new ATOM 0 HH21 ARG B 2 14.838 -1.240 7.447 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.255 -1.289 9.163 1.00 0.00 H new ATOM 1672 N PHE B 3 19.826 2.454 1.629 1.00 0.00 N ATOM 1673 CA PHE B 3 19.377 3.436 0.593 1.00 0.00 C ATOM 1674 C PHE B 3 18.984 2.676 -0.677 1.00 0.00 C ATOM 1675 O PHE B 3 19.349 1.532 -0.860 1.00 0.00 O ATOM 1676 CB PHE B 3 20.527 4.403 0.280 1.00 0.00 C ATOM 1677 CG PHE B 3 20.589 5.481 1.339 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.084 5.183 2.623 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.150 6.784 1.039 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.139 6.189 3.607 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.205 7.789 2.022 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.700 7.492 3.307 1.00 0.00 C ATOM 0 H PHE B 3 20.784 2.122 1.516 1.00 0.00 H new ATOM 0 HA PHE B 3 18.520 4.001 0.961 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.472 3.860 0.244 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.380 4.852 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.421 4.183 2.853 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.771 7.013 0.054 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.518 5.960 4.592 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.868 8.789 1.791 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.743 8.264 4.061 1.00 0.00 H new ATOM 1692 N ARG B 4 18.243 3.301 -1.558 1.00 0.00 N ATOM 1693 CA ARG B 4 17.825 2.607 -2.816 1.00 0.00 C ATOM 1694 C ARG B 4 17.766 3.626 -3.971 1.00 0.00 C ATOM 1695 O ARG B 4 18.789 4.106 -4.417 1.00 0.00 O ATOM 1696 CB ARG B 4 16.449 1.948 -2.589 1.00 0.00 C ATOM 1697 CG ARG B 4 16.626 0.514 -2.061 1.00 0.00 C ATOM 1698 CD ARG B 4 17.263 -0.391 -3.142 1.00 0.00 C ATOM 1699 NE ARG B 4 16.494 -1.662 -3.243 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.652 -2.437 -4.281 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.478 -2.092 -5.231 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.984 -3.554 -4.373 1.00 0.00 N ATOM 0 H ARG B 4 17.910 4.260 -1.461 1.00 0.00 H new ATOM 0 HA ARG B 4 18.546 1.834 -3.080 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.869 2.536 -1.878 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.887 1.933 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.255 0.524 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.659 0.109 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.267 0.121 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.302 -0.602 -2.889 1.00 0.00 H new ATOM 0 HE ARG B 4 15.845 -1.927 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.999 -1.218 -5.161 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.603 -2.697 -6.043 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.336 -3.823 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.109 -4.158 -5.185 1.00 0.00 H new ATOM 1716 N TYR B 5 16.587 3.956 -4.467 1.00 0.00 N ATOM 1717 CA TYR B 5 16.481 4.935 -5.603 1.00 0.00 C ATOM 1718 C TYR B 5 15.858 6.256 -5.129 1.00 0.00 C ATOM 1719 O TYR B 5 15.689 6.494 -3.951 1.00 0.00 O ATOM 1720 CB TYR B 5 15.658 4.323 -6.754 1.00 0.00 C ATOM 1721 CG TYR B 5 14.510 3.499 -6.224 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.729 2.178 -5.786 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.217 4.042 -6.195 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.651 1.406 -5.311 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.140 3.272 -5.726 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.358 1.954 -5.280 1.00 0.00 C ATOM 1727 OH TYR B 5 11.302 1.199 -4.815 1.00 0.00 O ATOM 0 H TYR B 5 15.696 3.588 -4.132 1.00 0.00 H new ATOM 0 HA TYR B 5 17.484 5.152 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.274 5.118 -7.393 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.302 3.699 -7.374 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.723 1.757 -5.814 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.049 5.054 -6.534 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.818 0.395 -4.971 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.145 3.691 -5.707 1.00 0.00 H new ATOM 0 HH TYR B 5 11.630 0.324 -4.520 1.00 0.00 H new ATOM 1737 N VAL B 6 15.568 7.133 -6.056 1.00 0.00 N ATOM 1738 CA VAL B 6 15.012 8.475 -5.701 1.00 0.00 C ATOM 1739 C VAL B 6 13.589 8.385 -5.146 1.00 0.00 C ATOM 1740 O VAL B 6 12.799 7.547 -5.538 1.00 0.00 O ATOM 1741 CB VAL B 6 14.984 9.353 -6.959 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.892 10.826 -6.561 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.257 9.126 -7.769 1.00 0.00 C ATOM 0 H VAL B 6 15.694 6.975 -7.056 1.00 0.00 H new ATOM 0 HA VAL B 6 15.653 8.902 -4.929 1.00 0.00 H new ATOM 0 HB VAL B 6 14.115 9.087 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.872 11.445 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.981 10.991 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.757 11.094 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.236 9.750 -8.662 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.125 9.388 -7.164 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.321 8.078 -8.060 1.00 0.00 H new ATOM 1753 N CYS B 7 13.252 9.292 -4.262 1.00 0.00 N ATOM 1754 CA CYS B 7 11.875 9.337 -3.690 1.00 0.00 C ATOM 1755 C CYS B 7 11.105 10.448 -4.398 1.00 0.00 C ATOM 1756 O CYS B 7 11.202 11.605 -4.042 1.00 0.00 O ATOM 1757 CB CYS B 7 11.941 9.639 -2.191 1.00 0.00 C ATOM 1758 SG CYS B 7 13.205 8.603 -1.414 1.00 0.00 S ATOM 0 H CYS B 7 13.883 10.012 -3.909 1.00 0.00 H new ATOM 0 HA CYS B 7 11.380 8.376 -3.832 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.173 10.692 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.971 9.453 -1.730 1.00 0.00 H new ATOM 1763 N GLU B 8 10.358 10.117 -5.414 1.00 0.00 N ATOM 1764 CA GLU B 8 9.609 11.172 -6.157 1.00 0.00 C ATOM 1765 C GLU B 8 8.292 11.493 -5.445 1.00 0.00 C ATOM 1766 O GLU B 8 7.244 11.597 -6.061 1.00 0.00 O ATOM 1767 CB GLU B 8 9.322 10.687 -7.581 1.00 0.00 C ATOM 1768 CG GLU B 8 8.909 9.209 -7.548 1.00 0.00 C ATOM 1769 CD GLU B 8 8.174 8.849 -8.843 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.695 9.155 -9.903 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.102 8.273 -8.751 1.00 0.00 O ATOM 0 H GLU B 8 10.233 9.166 -5.762 1.00 0.00 H new ATOM 0 HA GLU B 8 10.215 12.077 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.529 11.287 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.207 10.814 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.790 8.578 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.265 9.020 -6.689 1.00 0.00 H new ATOM 1778 N GLY B 9 8.339 11.693 -4.162 1.00 0.00 N ATOM 1779 CA GLY B 9 7.097 12.055 -3.429 1.00 0.00 C ATOM 1780 C GLY B 9 6.807 13.535 -3.744 1.00 0.00 C ATOM 1781 O GLY B 9 6.812 13.899 -4.905 1.00 0.00 O ATOM 0 H GLY B 9 9.180 11.622 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.266 11.423 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.224 11.906 -2.357 1.00 0.00 H new ATOM 1785 N PRO B 10 6.593 14.376 -2.748 1.00 0.00 N ATOM 1786 CA PRO B 10 6.354 15.805 -3.023 1.00 0.00 C ATOM 1787 C PRO B 10 7.650 16.439 -3.558 1.00 0.00 C ATOM 1788 O PRO B 10 7.884 17.622 -3.406 1.00 0.00 O ATOM 1789 CB PRO B 10 5.949 16.412 -1.660 1.00 0.00 C ATOM 1790 CG PRO B 10 6.141 15.305 -0.583 1.00 0.00 C ATOM 1791 CD PRO B 10 6.553 14.007 -1.316 1.00 0.00 C ATOM 0 HA PRO B 10 5.581 15.976 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.563 17.282 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.913 16.750 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.906 15.598 0.136 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.219 15.152 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.524 13.650 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.837 13.206 -1.134 1.00 0.00 H new ATOM 1799 N SER B 11 8.491 15.654 -4.179 1.00 0.00 N ATOM 1800 CA SER B 11 9.770 16.189 -4.720 1.00 0.00 C ATOM 1801 C SER B 11 9.529 16.781 -6.111 1.00 0.00 C ATOM 1802 O SER B 11 10.420 17.344 -6.715 1.00 0.00 O ATOM 1803 CB SER B 11 10.789 15.049 -4.822 1.00 0.00 C ATOM 1804 OG SER B 11 12.033 15.570 -5.267 1.00 0.00 O ATOM 0 H SER B 11 8.343 14.657 -4.335 1.00 0.00 H new ATOM 0 HA SER B 11 10.151 16.966 -4.057 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.910 14.566 -3.852 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.432 14.287 -5.515 1.00 0.00 H new ATOM 0 HG SER B 11 11.874 16.335 -5.858 1.00 0.00 H new ATOM 1810 N HIS B 12 8.329 16.660 -6.623 1.00 0.00 N ATOM 1811 CA HIS B 12 8.028 17.219 -7.980 1.00 0.00 C ATOM 1812 C HIS B 12 6.620 17.814 -7.986 1.00 0.00 C ATOM 1813 O HIS B 12 5.798 17.503 -7.148 1.00 0.00 O ATOM 1814 CB HIS B 12 8.110 16.100 -9.022 1.00 0.00 C ATOM 1815 CG HIS B 12 7.960 16.687 -10.399 1.00 0.00 C ATOM 1816 ND1 HIS B 12 6.967 16.275 -11.274 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.668 17.655 -11.065 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.104 16.986 -12.407 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.126 17.843 -12.334 1.00 0.00 N ATOM 0 H HIS B 12 7.545 16.199 -6.161 1.00 0.00 H new ATOM 0 HA HIS B 12 8.753 17.996 -8.221 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.064 15.580 -8.939 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.328 15.362 -8.842 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.517 18.190 -10.666 1.00 0.00 H new ATOM 0 HE1 HIS B 12 6.465 16.877 -13.271 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.441 18.495 -13.053 1.00 0.00 H new ATOM 1827 N GLY B 13 6.335 18.672 -8.930 1.00 0.00 N ATOM 1828 CA GLY B 13 4.981 19.291 -8.994 1.00 0.00 C ATOM 1829 C GLY B 13 4.795 19.975 -10.349 1.00 0.00 C ATOM 1830 O GLY B 13 5.713 19.916 -11.151 1.00 0.00 O ATOM 1831 OXT GLY B 13 3.739 20.546 -10.562 1.00 0.00 O ATOM 0 H GLY B 13 6.983 18.970 -9.659 1.00 0.00 H new ATOM 0 HA2 GLY B 13 4.214 18.529 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.863 20.017 -8.189 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.189 -10.528 -1.243 1.00 0.24 O HETATM 1839 O HOH A 107 8.874 -3.363 5.211 1.00 0.40 O HETATM 1842 O HOH A 108 12.231 1.304 2.246 1.00 0.32 O HETATM 1845 O HOH A 109 -8.882 -8.039 0.454 1.00 0.26 O HETATM 1848 O HOH A 110 -7.475 -12.954 0.239 1.00 0.21 O HETATM 1851 O HOH A 111 -12.538 -3.029 0.359 1.00 0.37 O