USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 ASN : amide:sc= -0.38 K(o=-0.7,f=2.1) USER MOD Set 1.2: A 58 SER OG : rot 140:sc= -0.317 USER MOD Set 2.1: A 28 TYR OH : rot 59:sc= 1.22 USER MOD Set 2.2: A 30 HIS : no HD1:sc= 0.189 K(o=1.7,f=-0.18) USER MOD Set 2.3: A 33 LYS NZ :NH3+ -177:sc= 0.319 (180deg=0) USER MOD Single : A 4 ASN : amide:sc=-0.00153 X(o=-0.0015,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -100:sc= 0.576 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0148 K(o=-0.015,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.6!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.398 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0063 K(o=-0.0063,f=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 1.22 (180deg=0.517) USER MOD ----------------------------------------------------------------- ATOM 47 N ASN A 4 -0.850 3.345 10.087 1.00 0.00 N ATOM 48 CA ASN A 4 -1.090 2.013 9.545 1.00 0.00 C ATOM 49 C ASN A 4 -2.145 2.057 8.443 1.00 0.00 C ATOM 50 O ASN A 4 -3.005 2.935 8.429 1.00 0.00 O ATOM 51 CB ASN A 4 -1.500 1.036 10.631 1.00 0.00 C ATOM 52 CG ASN A 4 -0.456 0.843 11.697 1.00 0.00 C ATOM 53 OD1 ASN A 4 0.609 0.266 11.452 1.00 0.00 O ATOM 54 ND2 ASN A 4 -0.790 1.249 12.895 1.00 0.00 N ATOM 0 HA ASN A 4 -0.152 1.662 9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.420 1.389 11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.723 0.072 10.174 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.158 1.094 13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.682 1.721 13.043 1.00 0.00 H new ATOM 61 N GLY A 5 -2.070 1.100 7.522 1.00 0.00 N ATOM 62 CA GLY A 5 -3.074 0.995 6.480 1.00 0.00 C ATOM 63 C GLY A 5 -3.759 -0.358 6.470 1.00 0.00 C ATOM 64 O GLY A 5 -3.365 -1.268 7.199 1.00 0.00 O ATOM 0 H GLY A 5 -1.332 0.397 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.821 1.776 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.607 1.170 5.511 1.00 0.00 H new ATOM 68 N THR A 6 -4.790 -0.491 5.641 1.00 0.00 N ATOM 69 CA THR A 6 -5.462 -1.770 5.456 1.00 0.00 C ATOM 70 C THR A 6 -5.534 -2.146 3.981 1.00 0.00 C ATOM 71 O THR A 6 -5.952 -1.345 3.146 1.00 0.00 O ATOM 72 CB THR A 6 -6.886 -1.750 6.040 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.825 -1.469 7.445 1.00 0.00 O ATOM 74 CG2 THR A 6 -7.571 -3.091 5.825 1.00 0.00 C ATOM 0 H THR A 6 -5.177 0.273 5.087 1.00 0.00 H new ATOM 0 HA THR A 6 -4.871 -2.515 5.989 1.00 0.00 H new ATOM 0 HB THR A 6 -7.460 -0.975 5.531 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.732 -1.455 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.576 -3.057 6.245 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.630 -3.302 4.757 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.998 -3.876 6.319 1.00 0.00 H new ATOM 82 N ILE A 7 -5.124 -3.371 3.666 1.00 0.00 N ATOM 83 CA ILE A 7 -5.198 -3.873 2.300 1.00 0.00 C ATOM 84 C ILE A 7 -6.493 -4.645 2.067 1.00 0.00 C ATOM 85 O ILE A 7 -6.802 -5.594 2.787 1.00 0.00 O ATOM 86 CB ILE A 7 -4.002 -4.783 1.968 1.00 0.00 C ATOM 87 CG1 ILE A 7 -2.698 -3.981 1.992 1.00 0.00 C ATOM 88 CG2 ILE A 7 -4.198 -5.445 0.612 1.00 0.00 C ATOM 89 CD1 ILE A 7 -1.458 -4.826 1.817 1.00 0.00 C ATOM 0 H ILE A 7 -4.737 -4.033 4.339 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.174 -3.004 1.643 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.940 -5.564 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.729 -3.231 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.630 -3.444 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.343 -6.085 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.107 -6.046 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.284 -4.678 -0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.575 -4.187 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.401 -5.559 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.502 -5.342 0.858 1.00 0.00 H new ATOM 101 N THR A 8 -7.249 -4.230 1.054 1.00 0.00 N ATOM 102 CA THR A 8 -8.524 -4.863 0.744 1.00 0.00 C ATOM 103 C THR A 8 -8.346 -5.997 -0.259 1.00 0.00 C ATOM 104 O THR A 8 -9.133 -6.944 -0.289 1.00 0.00 O ATOM 105 CB THR A 8 -9.537 -3.847 0.182 1.00 0.00 C ATOM 106 OG1 THR A 8 -9.035 -3.296 -1.042 1.00 0.00 O ATOM 107 CG2 THR A 8 -9.775 -2.724 1.181 1.00 0.00 C ATOM 0 H THR A 8 -6.999 -3.458 0.435 1.00 0.00 H new ATOM 0 HA THR A 8 -8.910 -5.267 1.680 1.00 0.00 H new ATOM 0 HB THR A 8 -10.481 -4.360 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.681 -2.651 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.493 -2.016 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.168 -3.140 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.835 -2.211 1.383 1.00 0.00 H new ATOM 115 N THR A 9 -7.305 -5.897 -1.081 1.00 0.00 N ATOM 116 CA THR A 9 -6.982 -6.947 -2.037 1.00 0.00 C ATOM 117 C THR A 9 -5.485 -6.995 -2.318 1.00 0.00 C ATOM 118 O THR A 9 -4.824 -5.958 -2.390 1.00 0.00 O ATOM 119 CB THR A 9 -7.737 -6.753 -3.365 1.00 0.00 C ATOM 120 OG1 THR A 9 -7.568 -7.914 -4.189 1.00 0.00 O ATOM 121 CG2 THR A 9 -7.214 -5.530 -4.103 1.00 0.00 C ATOM 0 H THR A 9 -6.671 -5.098 -1.103 1.00 0.00 H new ATOM 0 HA THR A 9 -7.294 -7.889 -1.586 1.00 0.00 H new ATOM 0 HB THR A 9 -8.795 -6.607 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.873 -7.742 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.759 -5.409 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.354 -4.644 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.153 -5.660 -4.316 1.00 0.00 H new ATOM 129 N TRP A 10 -4.955 -8.203 -2.475 1.00 0.00 N ATOM 130 CA TRP A 10 -3.527 -8.386 -2.709 1.00 0.00 C ATOM 131 C TRP A 10 -3.273 -9.610 -3.584 1.00 0.00 C ATOM 132 O TRP A 10 -3.705 -10.715 -3.262 1.00 0.00 O ATOM 133 CB TRP A 10 -2.780 -8.524 -1.381 1.00 0.00 C ATOM 134 CG TRP A 10 -1.289 -8.489 -1.527 1.00 0.00 C ATOM 135 CD1 TRP A 10 -0.524 -7.398 -1.816 1.00 0.00 C ATOM 136 CD2 TRP A 10 -0.384 -9.591 -1.389 1.00 0.00 C ATOM 137 NE1 TRP A 10 0.801 -7.753 -1.869 1.00 0.00 N ATOM 138 CE2 TRP A 10 0.914 -9.094 -1.608 1.00 0.00 C ATOM 139 CE3 TRP A 10 -0.547 -10.951 -1.101 1.00 0.00 C ATOM 140 CZ2 TRP A 10 2.038 -9.903 -1.552 1.00 0.00 C ATOM 141 CZ3 TRP A 10 0.581 -11.762 -1.042 1.00 0.00 C ATOM 142 CH2 TRP A 10 1.835 -11.253 -1.261 1.00 0.00 C ATOM 0 H TRP A 10 -5.492 -9.070 -2.445 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.154 -7.505 -3.232 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.091 -7.720 -0.713 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.069 -9.462 -0.907 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.905 -6.401 -1.979 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.576 -7.121 -2.070 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.530 -11.363 -0.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.027 -9.506 -1.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.467 -12.813 -0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.688 -11.914 -1.207 1.00 0.00 H new ATOM 153 N PHE A 11 -2.567 -9.404 -4.691 1.00 0.00 N ATOM 154 CA PHE A 11 -2.229 -10.496 -5.595 1.00 0.00 C ATOM 155 C PHE A 11 -0.715 -10.642 -5.728 1.00 0.00 C ATOM 156 O PHE A 11 -0.053 -9.817 -6.359 1.00 0.00 O ATOM 157 CB PHE A 11 -2.861 -10.269 -6.970 1.00 0.00 C ATOM 158 CG PHE A 11 -4.362 -10.224 -6.946 1.00 0.00 C ATOM 159 CD1 PHE A 11 -5.107 -11.390 -7.047 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.033 -9.017 -6.821 1.00 0.00 C ATOM 161 CE1 PHE A 11 -6.489 -11.351 -7.026 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.415 -8.975 -6.799 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.142 -10.140 -6.902 1.00 0.00 C ATOM 0 H PHE A 11 -2.218 -8.491 -4.983 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.628 -11.419 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.485 -9.333 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.541 -11.065 -7.643 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.601 -12.340 -7.143 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.470 -8.099 -6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.057 -12.266 -7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.925 -8.028 -6.701 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.221 -10.107 -6.886 1.00 0.00 H new ATOM 173 N LYS A 12 -0.173 -11.696 -5.130 1.00 0.00 N ATOM 174 CA LYS A 12 1.251 -11.990 -5.236 1.00 0.00 C ATOM 175 C LYS A 12 1.632 -12.320 -6.677 1.00 0.00 C ATOM 176 O LYS A 12 2.667 -11.875 -7.171 1.00 0.00 O ATOM 177 CB LYS A 12 1.631 -13.146 -4.310 1.00 0.00 C ATOM 178 CG LYS A 12 3.120 -13.462 -4.277 1.00 0.00 C ATOM 179 CD LYS A 12 3.432 -14.554 -3.265 1.00 0.00 C ATOM 180 CE LYS A 12 4.917 -14.886 -3.245 1.00 0.00 C ATOM 181 NZ LYS A 12 5.233 -15.973 -2.281 1.00 0.00 N ATOM 0 H LYS A 12 -0.699 -12.363 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 12 1.803 -11.101 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.300 -12.910 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.089 -14.039 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.449 -13.777 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.680 -12.561 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.116 -14.233 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.861 -15.450 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.235 -15.184 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.484 -13.993 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.255 -16.167 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.954 -15.680 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.712 -16.834 -2.545 1.00 0.00 H new ATOM 195 N ASP A 13 0.788 -13.100 -7.343 1.00 0.00 N ATOM 196 CA ASP A 13 1.103 -13.605 -8.674 1.00 0.00 C ATOM 197 C ASP A 13 0.952 -12.506 -9.722 1.00 0.00 C ATOM 198 O ASP A 13 1.663 -12.491 -10.727 1.00 0.00 O ATOM 199 CB ASP A 13 0.207 -14.796 -9.022 1.00 0.00 C ATOM 200 CG ASP A 13 0.539 -16.075 -8.266 1.00 0.00 C ATOM 201 OD1 ASP A 13 1.589 -16.136 -7.672 1.00 0.00 O ATOM 202 OD2 ASP A 13 -0.322 -16.917 -8.157 1.00 0.00 O ATOM 0 H ASP A 13 -0.119 -13.396 -6.983 1.00 0.00 H new ATOM 0 HA ASP A 13 2.141 -13.937 -8.673 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.830 -14.527 -8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.282 -14.991 -10.092 1.00 0.00 H new ATOM 207 N LYS A 14 0.021 -11.590 -9.481 1.00 0.00 N ATOM 208 CA LYS A 14 -0.317 -10.567 -10.461 1.00 0.00 C ATOM 209 C LYS A 14 0.393 -9.255 -10.147 1.00 0.00 C ATOM 210 O LYS A 14 0.612 -8.428 -11.032 1.00 0.00 O ATOM 211 CB LYS A 14 -1.831 -10.350 -10.511 1.00 0.00 C ATOM 212 CG LYS A 14 -2.630 -11.581 -10.920 1.00 0.00 C ATOM 213 CD LYS A 14 -4.115 -11.270 -11.017 1.00 0.00 C ATOM 214 CE LYS A 14 -4.916 -12.501 -11.414 1.00 0.00 C ATOM 215 NZ LYS A 14 -6.373 -12.215 -11.501 1.00 0.00 N ATOM 0 H LYS A 14 -0.513 -11.536 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 14 0.020 -10.913 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.171 -10.021 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.047 -9.543 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.270 -11.948 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.470 -12.378 -10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.473 -10.895 -10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.275 -10.478 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.561 -12.869 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.745 -13.294 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.881 -13.080 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.718 -11.888 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.540 -11.476 -12.214 1.00 0.00 H new ATOM 229 N GLY A 15 0.751 -9.070 -8.880 1.00 0.00 N ATOM 230 CA GLY A 15 1.434 -7.856 -8.471 1.00 0.00 C ATOM 231 C GLY A 15 0.502 -6.664 -8.394 1.00 0.00 C ATOM 232 O GLY A 15 0.917 -5.527 -8.621 1.00 0.00 O ATOM 0 H GLY A 15 0.580 -9.739 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.898 -8.014 -7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.237 -7.640 -9.175 1.00 0.00 H new ATOM 236 N PHE A 16 -0.761 -6.922 -8.075 1.00 0.00 N ATOM 237 CA PHE A 16 -1.720 -5.853 -7.819 1.00 0.00 C ATOM 238 C PHE A 16 -2.152 -5.847 -6.357 1.00 0.00 C ATOM 239 O PHE A 16 -2.486 -6.888 -5.791 1.00 0.00 O ATOM 240 CB PHE A 16 -2.940 -5.998 -8.730 1.00 0.00 C ATOM 241 CG PHE A 16 -2.654 -5.714 -10.178 1.00 0.00 C ATOM 242 CD1 PHE A 16 -1.986 -6.642 -10.963 1.00 0.00 C ATOM 243 CD2 PHE A 16 -3.049 -4.518 -10.756 1.00 0.00 C ATOM 244 CE1 PHE A 16 -1.722 -6.381 -12.293 1.00 0.00 C ATOM 245 CE2 PHE A 16 -2.787 -4.254 -12.086 1.00 0.00 C ATOM 246 CZ PHE A 16 -2.122 -5.187 -12.856 1.00 0.00 C ATOM 0 H PHE A 16 -1.145 -7.863 -7.987 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.231 -4.903 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.331 -7.011 -8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.722 -5.322 -8.384 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.669 -7.579 -10.529 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.568 -3.783 -10.159 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.202 -7.113 -12.893 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.102 -3.318 -12.523 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.916 -4.983 -13.896 1.00 0.00 H new ATOM 256 N GLY A 17 -2.143 -4.665 -5.747 1.00 0.00 N ATOM 257 CA GLY A 17 -2.623 -4.530 -4.384 1.00 0.00 C ATOM 258 C GLY A 17 -3.217 -3.162 -4.113 1.00 0.00 C ATOM 259 O GLY A 17 -2.834 -2.175 -4.742 1.00 0.00 O ATOM 0 H GLY A 17 -1.812 -3.799 -6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.375 -5.295 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.800 -4.709 -3.692 1.00 0.00 H new ATOM 263 N PHE A 18 -4.157 -3.102 -3.176 1.00 0.00 N ATOM 264 CA PHE A 18 -4.757 -1.835 -2.774 1.00 0.00 C ATOM 265 C PHE A 18 -4.457 -1.533 -1.308 1.00 0.00 C ATOM 266 O PHE A 18 -4.312 -2.444 -0.492 1.00 0.00 O ATOM 267 CB PHE A 18 -6.268 -1.859 -3.010 1.00 0.00 C ATOM 268 CG PHE A 18 -6.655 -1.813 -4.460 1.00 0.00 C ATOM 269 CD1 PHE A 18 -5.788 -1.291 -5.409 1.00 0.00 C ATOM 270 CD2 PHE A 18 -7.887 -2.290 -4.880 1.00 0.00 C ATOM 271 CE1 PHE A 18 -6.143 -1.248 -6.744 1.00 0.00 C ATOM 272 CE2 PHE A 18 -8.245 -2.250 -6.214 1.00 0.00 C ATOM 273 CZ PHE A 18 -7.370 -1.727 -7.146 1.00 0.00 C ATOM 0 H PHE A 18 -4.520 -3.916 -2.680 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.320 -1.045 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.682 -2.762 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.720 -1.011 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.824 -0.914 -5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.576 -2.698 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.458 -0.839 -7.472 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.207 -2.627 -6.527 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.648 -1.694 -8.189 1.00 0.00 H new ATOM 283 N ILE A 19 -4.364 -0.248 -0.983 1.00 0.00 N ATOM 284 CA ILE A 19 -4.244 0.181 0.404 1.00 0.00 C ATOM 285 C ILE A 19 -5.261 1.270 0.735 1.00 0.00 C ATOM 286 O ILE A 19 -5.400 2.246 -0.001 1.00 0.00 O ATOM 287 CB ILE A 19 -2.828 0.702 0.714 1.00 0.00 C ATOM 288 CG1 ILE A 19 -1.797 -0.414 0.527 1.00 0.00 C ATOM 289 CG2 ILE A 19 -2.763 1.259 2.127 1.00 0.00 C ATOM 290 CD1 ILE A 19 -0.364 0.061 0.598 1.00 0.00 C ATOM 0 H ILE A 19 -4.369 0.514 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.441 -0.695 1.022 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.595 1.507 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.956 -1.175 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.964 -0.892 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.755 1.623 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.472 2.081 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.015 0.474 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.307 -0.786 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.186 0.799 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.178 0.513 1.573 1.00 0.00 H new ATOM 302 N LYS A 20 -5.968 1.095 1.845 1.00 0.00 N ATOM 303 CA LYS A 20 -6.849 2.135 2.363 1.00 0.00 C ATOM 304 C LYS A 20 -6.180 2.898 3.503 1.00 0.00 C ATOM 305 O LYS A 20 -5.793 2.309 4.512 1.00 0.00 O ATOM 306 CB LYS A 20 -8.171 1.531 2.838 1.00 0.00 C ATOM 307 CG LYS A 20 -9.202 2.554 3.295 1.00 0.00 C ATOM 308 CD LYS A 20 -10.471 1.878 3.792 1.00 0.00 C ATOM 309 CE LYS A 20 -11.506 2.900 4.238 1.00 0.00 C ATOM 310 NZ LYS A 20 -12.758 2.253 4.714 1.00 0.00 N ATOM 0 H LYS A 20 -5.948 0.242 2.404 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.054 2.836 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.598 0.940 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.968 0.845 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.780 3.168 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.444 3.223 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.889 1.257 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.230 1.215 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.089 3.514 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.736 3.569 3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.436 2.984 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.171 1.687 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.544 1.634 5.522 1.00 0.00 H new ATOM 324 N ASP A 21 -6.047 4.208 3.332 1.00 0.00 N ATOM 325 CA ASP A 21 -5.282 5.026 4.266 1.00 0.00 C ATOM 326 C ASP A 21 -6.149 5.463 5.443 1.00 0.00 C ATOM 327 O ASP A 21 -7.371 5.324 5.411 1.00 0.00 O ATOM 328 CB ASP A 21 -4.698 6.251 3.556 1.00 0.00 C ATOM 329 CG ASP A 21 -3.479 6.853 4.240 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.100 6.360 5.276 1.00 0.00 O ATOM 331 OD2 ASP A 21 -2.845 7.694 3.648 1.00 0.00 O ATOM 0 H ASP A 21 -6.459 4.726 2.556 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.461 4.420 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.427 5.971 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.472 7.015 3.481 1.00 0.00 H new ATOM 336 N GLU A 22 -5.506 5.990 6.482 1.00 0.00 N ATOM 337 CA GLU A 22 -6.225 6.589 7.599 1.00 0.00 C ATOM 338 C GLU A 22 -6.996 7.827 7.149 1.00 0.00 C ATOM 339 O GLU A 22 -7.931 8.265 7.818 1.00 0.00 O ATOM 340 CB GLU A 22 -5.258 6.950 8.729 1.00 0.00 C ATOM 341 CG GLU A 22 -4.701 5.753 9.487 1.00 0.00 C ATOM 342 CD GLU A 22 -3.806 6.189 10.613 1.00 0.00 C ATOM 343 OE1 GLU A 22 -3.586 7.367 10.750 1.00 0.00 O ATOM 344 OE2 GLU A 22 -3.432 5.354 11.405 1.00 0.00 O ATOM 0 H GLU A 22 -4.490 6.014 6.572 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.940 5.856 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.427 7.519 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.770 7.605 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.523 5.156 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.143 5.114 8.803 1.00 0.00 H new ATOM 351 N ASN A 23 -6.596 8.383 6.012 1.00 0.00 N ATOM 352 CA ASN A 23 -7.322 9.497 5.409 1.00 0.00 C ATOM 353 C ASN A 23 -8.508 8.994 4.592 1.00 0.00 C ATOM 354 O ASN A 23 -9.379 9.769 4.201 1.00 0.00 O ATOM 355 CB ASN A 23 -6.413 10.353 4.548 1.00 0.00 C ATOM 356 CG ASN A 23 -5.420 11.163 5.334 1.00 0.00 C ATOM 357 OD1 ASN A 23 -5.636 11.473 6.511 1.00 0.00 O ATOM 358 ND2 ASN A 23 -4.373 11.577 4.666 1.00 0.00 N ATOM 0 H ASN A 23 -5.774 8.082 5.488 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.698 10.119 6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.874 9.709 3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.025 11.027 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.689 12.185 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.242 11.292 3.696 1.00 0.00 H new ATOM 365 N GLY A 24 -8.535 7.689 4.339 1.00 0.00 N ATOM 366 CA GLY A 24 -9.701 7.074 3.730 1.00 0.00 C ATOM 367 C GLY A 24 -9.551 6.907 2.232 1.00 0.00 C ATOM 368 O GLY A 24 -10.496 6.515 1.546 1.00 0.00 O ATOM 0 H GLY A 24 -7.770 7.046 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.874 6.099 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.580 7.684 3.938 1.00 0.00 H new ATOM 372 N ASP A 25 -8.362 7.206 1.720 1.00 0.00 N ATOM 373 CA ASP A 25 -8.090 7.081 0.293 1.00 0.00 C ATOM 374 C ASP A 25 -7.661 5.659 -0.057 1.00 0.00 C ATOM 375 O ASP A 25 -6.809 5.076 0.613 1.00 0.00 O ATOM 376 CB ASP A 25 -7.012 8.079 -0.140 1.00 0.00 C ATOM 377 CG ASP A 25 -7.472 9.531 -0.159 1.00 0.00 C ATOM 378 OD1 ASP A 25 -8.656 9.760 -0.095 1.00 0.00 O ATOM 379 OD2 ASP A 25 -6.635 10.398 -0.078 1.00 0.00 O ATOM 0 H ASP A 25 -7.571 7.537 2.272 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.011 7.305 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.159 7.989 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.662 7.808 -1.136 1.00 0.00 H new ATOM 384 N ASN A 26 -8.257 5.109 -1.109 1.00 0.00 N ATOM 385 CA ASN A 26 -7.855 3.801 -1.616 1.00 0.00 C ATOM 386 C ASN A 26 -6.850 3.946 -2.756 1.00 0.00 C ATOM 387 O ASN A 26 -7.193 4.405 -3.845 1.00 0.00 O ATOM 388 CB ASN A 26 -9.054 2.988 -2.070 1.00 0.00 C ATOM 389 CG ASN A 26 -8.704 1.600 -2.530 1.00 0.00 C ATOM 390 OD1 ASN A 26 -7.562 1.320 -2.914 1.00 0.00 O ATOM 391 ND2 ASN A 26 -9.699 0.751 -2.570 1.00 0.00 N ATOM 0 H ASN A 26 -9.019 5.547 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.377 3.266 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.768 2.920 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.553 3.516 -2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.551 -0.192 -2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.623 1.032 -2.241 1.00 0.00 H new ATOM 398 N ARG A 27 -5.609 3.550 -2.495 1.00 0.00 N ATOM 399 CA ARG A 27 -4.516 3.793 -3.430 1.00 0.00 C ATOM 400 C ARG A 27 -3.941 2.478 -3.948 1.00 0.00 C ATOM 401 O ARG A 27 -3.898 1.481 -3.229 1.00 0.00 O ATOM 402 CB ARG A 27 -3.434 4.681 -2.833 1.00 0.00 C ATOM 403 CG ARG A 27 -3.924 6.018 -2.302 1.00 0.00 C ATOM 404 CD ARG A 27 -2.842 6.986 -1.986 1.00 0.00 C ATOM 405 NE ARG A 27 -3.305 8.247 -1.428 1.00 0.00 N ATOM 406 CZ ARG A 27 -3.312 8.545 -0.114 1.00 0.00 C ATOM 407 NH1 ARG A 27 -2.920 7.667 0.782 1.00 0.00 N ATOM 408 NH2 ARG A 27 -3.748 9.737 0.252 1.00 0.00 N ATOM 0 H ARG A 27 -5.335 3.059 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.930 4.337 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.948 4.140 -2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.675 4.865 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.591 6.465 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.514 5.844 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.152 6.523 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.278 7.191 -2.896 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.648 8.955 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.604 6.743 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.932 7.909 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.067 10.402 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.766 9.993 1.239 1.00 0.00 H new ATOM 422 N TYR A 28 -3.502 2.485 -5.202 1.00 0.00 N ATOM 423 CA TYR A 28 -2.946 1.289 -5.823 1.00 0.00 C ATOM 424 C TYR A 28 -1.423 1.284 -5.728 1.00 0.00 C ATOM 425 O TYR A 28 -0.770 2.299 -5.966 1.00 0.00 O ATOM 426 CB TYR A 28 -3.384 1.193 -7.286 1.00 0.00 C ATOM 427 CG TYR A 28 -2.620 0.162 -8.087 1.00 0.00 C ATOM 428 CD1 TYR A 28 -2.718 -1.190 -7.788 1.00 0.00 C ATOM 429 CD2 TYR A 28 -1.806 0.543 -9.143 1.00 0.00 C ATOM 430 CE1 TYR A 28 -2.022 -2.135 -8.516 1.00 0.00 C ATOM 431 CE2 TYR A 28 -1.106 -0.394 -9.879 1.00 0.00 C ATOM 432 CZ TYR A 28 -1.217 -1.733 -9.562 1.00 0.00 C ATOM 433 OH TYR A 28 -0.523 -2.670 -10.292 1.00 0.00 O ATOM 0 H TYR A 28 -3.521 3.305 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.326 0.421 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.447 0.953 -7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.262 2.168 -7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.350 -1.508 -6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.718 1.590 -9.394 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.107 -3.183 -8.268 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.475 -0.080 -10.698 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.152 -3.310 -10.685 1.00 0.00 H new ATOM 443 N PHE A 29 -0.863 0.130 -5.378 1.00 0.00 N ATOM 444 CA PHE A 29 0.580 -0.003 -5.217 1.00 0.00 C ATOM 445 C PHE A 29 1.084 -1.285 -5.871 1.00 0.00 C ATOM 446 O PHE A 29 0.311 -2.207 -6.135 1.00 0.00 O ATOM 447 CB PHE A 29 0.953 0.008 -3.734 1.00 0.00 C ATOM 448 CG PHE A 29 0.672 -1.292 -3.035 1.00 0.00 C ATOM 449 CD1 PHE A 29 -0.588 -1.564 -2.531 1.00 0.00 C ATOM 450 CD2 PHE A 29 1.670 -2.242 -2.886 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.848 -2.760 -1.887 1.00 0.00 C ATOM 452 CE2 PHE A 29 1.416 -3.440 -2.243 1.00 0.00 C ATOM 453 CZ PHE A 29 0.154 -3.698 -1.745 1.00 0.00 C ATOM 0 H PHE A 29 -1.387 -0.727 -5.200 1.00 0.00 H new ATOM 0 HA PHE A 29 1.055 0.846 -5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.013 0.242 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.403 0.806 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.377 -0.834 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.657 -2.045 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.835 -2.960 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.202 -4.172 -2.131 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.049 -4.633 -1.245 1.00 0.00 H new ATOM 463 N HIS A 30 2.388 -1.338 -6.130 1.00 0.00 N ATOM 464 CA HIS A 30 3.017 -2.551 -6.641 1.00 0.00 C ATOM 465 C HIS A 30 3.819 -3.249 -5.545 1.00 0.00 C ATOM 466 O HIS A 30 4.415 -2.598 -4.687 1.00 0.00 O ATOM 467 CB HIS A 30 3.924 -2.231 -7.834 1.00 0.00 C ATOM 468 CG HIS A 30 3.203 -1.609 -8.988 1.00 0.00 C ATOM 469 ND1 HIS A 30 2.849 -0.277 -9.013 1.00 0.00 N ATOM 470 CD2 HIS A 30 2.768 -2.137 -10.156 1.00 0.00 C ATOM 471 CE1 HIS A 30 2.227 -0.011 -10.150 1.00 0.00 C ATOM 472 NE2 HIS A 30 2.165 -1.123 -10.860 1.00 0.00 N ATOM 0 H HIS A 30 3.028 -0.556 -5.994 1.00 0.00 H new ATOM 0 HA HIS A 30 2.226 -3.223 -6.975 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.716 -1.558 -7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.405 -3.150 -8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.875 -3.163 -10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.837 0.951 -10.447 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.738 -1.214 -11.782 1.00 0.00 H new ATOM 479 N VAL A 31 3.824 -4.577 -5.580 1.00 0.00 N ATOM 480 CA VAL A 31 4.595 -5.363 -4.624 1.00 0.00 C ATOM 481 C VAL A 31 6.080 -5.036 -4.712 1.00 0.00 C ATOM 482 O VAL A 31 6.828 -5.226 -3.752 1.00 0.00 O ATOM 483 CB VAL A 31 4.399 -6.875 -4.844 1.00 0.00 C ATOM 484 CG1 VAL A 31 2.938 -7.254 -4.660 1.00 0.00 C ATOM 485 CG2 VAL A 31 4.881 -7.278 -6.230 1.00 0.00 C ATOM 0 H VAL A 31 3.303 -5.131 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 31 4.226 -5.099 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 31 4.991 -7.411 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.817 -8.326 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.621 -6.999 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.327 -6.709 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.735 -8.349 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.314 -6.734 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.940 -7.040 -6.330 1.00 0.00 H new ATOM 495 N ILE A 32 6.504 -4.541 -5.871 1.00 0.00 N ATOM 496 CA ILE A 32 7.895 -4.157 -6.076 1.00 0.00 C ATOM 497 C ILE A 32 8.201 -2.823 -5.403 1.00 0.00 C ATOM 498 O ILE A 32 9.364 -2.461 -5.216 1.00 0.00 O ATOM 499 CB ILE A 32 8.240 -4.058 -7.573 1.00 0.00 C ATOM 500 CG1 ILE A 32 7.432 -2.938 -8.235 1.00 0.00 C ATOM 501 CG2 ILE A 32 7.980 -5.386 -8.267 1.00 0.00 C ATOM 502 CD1 ILE A 32 7.853 -2.639 -9.655 1.00 0.00 C ATOM 0 H ILE A 32 5.903 -4.397 -6.682 1.00 0.00 H new ATOM 0 HA ILE A 32 8.507 -4.938 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 32 9.300 -3.821 -7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.377 -3.212 -8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.530 -2.031 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.229 -5.299 -9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.596 -6.161 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.928 -5.651 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.235 -1.835 -10.056 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.899 -2.333 -9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.729 -3.532 -10.267 1.00 0.00 H new ATOM 514 N LYS A 33 7.150 -2.095 -5.039 1.00 0.00 N ATOM 515 CA LYS A 33 7.305 -0.798 -4.392 1.00 0.00 C ATOM 516 C LYS A 33 7.202 -0.931 -2.875 1.00 0.00 C ATOM 517 O LYS A 33 6.997 0.056 -2.168 1.00 0.00 O ATOM 518 CB LYS A 33 6.256 0.188 -4.909 1.00 0.00 C ATOM 519 CG LYS A 33 6.419 0.566 -6.376 1.00 0.00 C ATOM 520 CD LYS A 33 5.222 1.361 -6.877 1.00 0.00 C ATOM 521 CE LYS A 33 5.422 1.815 -8.315 1.00 0.00 C ATOM 522 NZ LYS A 33 4.220 2.512 -8.850 1.00 0.00 N ATOM 0 H LYS A 33 6.182 -2.382 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 33 8.296 -0.415 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.266 -0.245 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.298 1.095 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.328 1.154 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.536 -0.337 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.322 0.750 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.066 2.230 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.282 2.482 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.649 0.951 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.378 2.760 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.393 1.885 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.048 3.378 -8.301 1.00 0.00 H new ATOM 536 N VAL A 34 7.351 -2.156 -2.382 1.00 0.00 N ATOM 537 CA VAL A 34 7.319 -2.411 -0.946 1.00 0.00 C ATOM 538 C VAL A 34 8.704 -2.769 -0.421 1.00 0.00 C ATOM 539 O VAL A 34 9.447 -3.518 -1.058 1.00 0.00 O ATOM 540 CB VAL A 34 6.338 -3.545 -0.596 1.00 0.00 C ATOM 541 CG1 VAL A 34 6.313 -3.783 0.906 1.00 0.00 C ATOM 542 CG2 VAL A 34 4.942 -3.219 -1.104 1.00 0.00 C ATOM 0 H VAL A 34 7.495 -2.987 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 34 6.980 -1.491 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 34 6.679 -4.457 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.614 -4.588 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.310 -4.060 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.996 -2.872 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.262 -4.032 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.593 -2.295 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.968 -3.096 -2.187 1.00 0.00 H new ATOM 552 N ALA A 35 9.047 -2.230 0.745 1.00 0.00 N ATOM 553 CA ALA A 35 10.357 -2.466 1.340 1.00 0.00 C ATOM 554 C ALA A 35 10.482 -3.899 1.842 1.00 0.00 C ATOM 555 O ALA A 35 11.475 -4.576 1.577 1.00 0.00 O ATOM 556 CB ALA A 35 10.605 -1.483 2.474 1.00 0.00 C ATOM 0 H ALA A 35 8.436 -1.627 1.296 1.00 0.00 H new ATOM 0 HA ALA A 35 11.112 -2.313 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.586 -1.670 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.568 -0.465 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.839 -1.609 3.239 1.00 0.00 H new ATOM 562 N ASN A 36 9.469 -4.357 2.571 1.00 0.00 N ATOM 563 CA ASN A 36 9.419 -5.741 3.028 1.00 0.00 C ATOM 564 C ASN A 36 8.036 -6.341 2.800 1.00 0.00 C ATOM 565 O ASN A 36 7.208 -6.416 3.707 1.00 0.00 O ATOM 566 CB ASN A 36 9.811 -5.858 4.491 1.00 0.00 C ATOM 567 CG ASN A 36 11.250 -5.517 4.761 1.00 0.00 C ATOM 568 OD1 ASN A 36 12.159 -6.310 4.491 1.00 0.00 O ATOM 569 ND2 ASN A 36 11.455 -4.375 5.367 1.00 0.00 N ATOM 0 H ASN A 36 8.672 -3.789 2.858 1.00 0.00 H new ATOM 0 HA ASN A 36 10.143 -6.304 2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.174 -5.200 5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.619 -6.876 4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.400 -4.104 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.670 -3.756 5.567 1.00 0.00 H new ATOM 576 N PRO A 37 7.778 -6.780 1.559 1.00 0.00 N ATOM 577 CA PRO A 37 6.483 -7.347 1.173 1.00 0.00 C ATOM 578 C PRO A 37 6.203 -8.677 1.864 1.00 0.00 C ATOM 579 O PRO A 37 5.060 -9.132 1.916 1.00 0.00 O ATOM 580 CB PRO A 37 6.590 -7.508 -0.347 1.00 0.00 C ATOM 581 CG PRO A 37 8.055 -7.589 -0.610 1.00 0.00 C ATOM 582 CD PRO A 37 8.692 -6.671 0.399 1.00 0.00 C ATOM 0 HA PRO A 37 5.651 -6.709 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.075 -8.406 -0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.139 -6.664 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.419 -8.610 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.290 -7.278 -1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.705 -6.986 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.758 -5.647 0.030 1.00 0.00 H new ATOM 590 N ASP A 38 7.253 -9.295 2.395 1.00 0.00 N ATOM 591 CA ASP A 38 7.108 -10.534 3.151 1.00 0.00 C ATOM 592 C ASP A 38 6.394 -10.283 4.474 1.00 0.00 C ATOM 593 O ASP A 38 5.726 -11.169 5.009 1.00 0.00 O ATOM 594 CB ASP A 38 8.476 -11.173 3.402 1.00 0.00 C ATOM 595 CG ASP A 38 9.107 -11.811 2.171 1.00 0.00 C ATOM 596 OD1 ASP A 38 8.417 -11.980 1.193 1.00 0.00 O ATOM 597 OD2 ASP A 38 10.304 -11.980 2.161 1.00 0.00 O ATOM 0 H ASP A 38 8.213 -8.959 2.316 1.00 0.00 H new ATOM 0 HA ASP A 38 6.503 -11.221 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.153 -10.412 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.372 -11.932 4.177 1.00 0.00 H new ATOM 602 N LEU A 39 6.539 -9.071 5.000 1.00 0.00 N ATOM 603 CA LEU A 39 5.973 -8.727 6.299 1.00 0.00 C ATOM 604 C LEU A 39 4.610 -8.062 6.140 1.00 0.00 C ATOM 605 O LEU A 39 3.889 -7.860 7.117 1.00 0.00 O ATOM 606 CB LEU A 39 6.930 -7.810 7.070 1.00 0.00 C ATOM 607 CG LEU A 39 8.295 -8.425 7.405 1.00 0.00 C ATOM 608 CD1 LEU A 39 9.183 -7.388 8.080 1.00 0.00 C ATOM 609 CD2 LEU A 39 8.100 -9.636 8.306 1.00 0.00 C ATOM 0 H LEU A 39 7.044 -8.310 4.546 1.00 0.00 H new ATOM 0 HA LEU A 39 5.836 -9.647 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.091 -6.905 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.448 -7.507 7.999 1.00 0.00 H new ATOM 0 HG LEU A 39 8.784 -8.747 6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.150 -7.834 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.327 -6.541 7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.709 -7.046 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.070 -10.073 8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.605 -9.328 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.485 -10.376 7.793 1.00 0.00 H new ATOM 621 N ILE A 40 4.263 -7.723 4.902 1.00 0.00 N ATOM 622 CA ILE A 40 2.973 -7.110 4.611 1.00 0.00 C ATOM 623 C ILE A 40 1.838 -8.118 4.765 1.00 0.00 C ATOM 624 O ILE A 40 1.879 -9.207 4.191 1.00 0.00 O ATOM 625 CB ILE A 40 2.936 -6.520 3.190 1.00 0.00 C ATOM 626 CG1 ILE A 40 3.918 -5.353 3.071 1.00 0.00 C ATOM 627 CG2 ILE A 40 1.526 -6.072 2.836 1.00 0.00 C ATOM 628 CD1 ILE A 40 3.611 -4.200 3.999 1.00 0.00 C ATOM 0 H ILE A 40 4.858 -7.863 4.085 1.00 0.00 H new ATOM 0 HA ILE A 40 2.838 -6.303 5.331 1.00 0.00 H new ATOM 0 HB ILE A 40 3.236 -7.295 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.925 -5.715 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.914 -4.991 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.518 -5.657 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.850 -6.926 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.198 -5.311 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.350 -3.412 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.617 -3.810 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.644 -4.546 5.032 1.00 0.00 H new ATOM 640 N LYS A 41 0.825 -7.746 5.538 1.00 0.00 N ATOM 641 CA LYS A 41 -0.385 -8.552 5.655 1.00 0.00 C ATOM 642 C LYS A 41 -1.615 -7.748 5.244 1.00 0.00 C ATOM 643 O LYS A 41 -1.547 -6.531 5.073 1.00 0.00 O ATOM 644 CB LYS A 41 -0.548 -9.073 7.084 1.00 0.00 C ATOM 645 CG LYS A 41 0.600 -9.951 7.567 1.00 0.00 C ATOM 646 CD LYS A 41 0.604 -11.296 6.857 1.00 0.00 C ATOM 647 CE LYS A 41 1.677 -12.217 7.421 1.00 0.00 C ATOM 648 NZ LYS A 41 1.691 -13.539 6.737 1.00 0.00 N ATOM 0 H LYS A 41 0.817 -6.891 6.094 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.289 -9.404 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.648 -8.223 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.476 -9.641 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.548 -9.442 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.515 -10.105 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.373 -11.767 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.774 -11.146 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.653 -11.744 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.506 -12.362 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.435 -14.136 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.768 -14.003 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.879 -13.403 5.723 1.00 0.00 H new ATOM 662 N LYS A 42 -2.740 -8.437 5.087 1.00 0.00 N ATOM 663 CA LYS A 42 -3.989 -7.788 4.707 1.00 0.00 C ATOM 664 C LYS A 42 -4.320 -6.643 5.659 1.00 0.00 C ATOM 665 O LYS A 42 -4.254 -5.473 5.285 1.00 0.00 O ATOM 666 CB LYS A 42 -5.135 -8.801 4.681 1.00 0.00 C ATOM 667 CG LYS A 42 -5.024 -9.847 3.580 1.00 0.00 C ATOM 668 CD LYS A 42 -6.207 -10.804 3.605 1.00 0.00 C ATOM 669 CE LYS A 42 -6.072 -11.879 2.536 1.00 0.00 C ATOM 670 NZ LYS A 42 -7.217 -12.831 2.558 1.00 0.00 N ATOM 0 H LYS A 42 -2.812 -9.446 5.217 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.863 -7.376 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.177 -9.308 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.076 -8.264 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.974 -9.353 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.097 -10.408 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.278 -11.272 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.131 -10.247 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.009 -11.409 1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.142 -12.427 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.087 -13.547 1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.262 -13.299 3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.103 -12.313 2.388 1.00 0.00 H new ATOM 684 N ASP A 43 -4.672 -6.989 6.892 1.00 0.00 N ATOM 685 CA ASP A 43 -5.117 -5.998 7.866 1.00 0.00 C ATOM 686 C ASP A 43 -3.926 -5.325 8.539 1.00 0.00 C ATOM 687 O ASP A 43 -3.995 -4.159 8.924 1.00 0.00 O ATOM 688 CB ASP A 43 -6.020 -6.647 8.918 1.00 0.00 C ATOM 689 CG ASP A 43 -7.395 -7.052 8.403 1.00 0.00 C ATOM 690 OD1 ASP A 43 -7.759 -6.621 7.334 1.00 0.00 O ATOM 691 OD2 ASP A 43 -8.003 -7.907 9.001 1.00 0.00 O ATOM 0 H ASP A 43 -4.658 -7.947 7.241 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.688 -5.236 7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.519 -7.530 9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.147 -5.953 9.749 1.00 0.00 H new ATOM 696 N ALA A 44 -2.832 -6.068 8.677 1.00 0.00 N ATOM 697 CA ALA A 44 -1.695 -5.614 9.466 1.00 0.00 C ATOM 698 C ALA A 44 -0.683 -4.875 8.597 1.00 0.00 C ATOM 699 O ALA A 44 0.471 -4.693 8.988 1.00 0.00 O ATOM 700 CB ALA A 44 -1.031 -6.792 10.164 1.00 0.00 C ATOM 0 H ALA A 44 -2.710 -6.987 8.252 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.064 -4.919 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.183 -6.437 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.751 -7.277 10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.683 -7.507 9.419 1.00 0.00 H new ATOM 706 N ALA A 45 -1.122 -4.452 7.417 1.00 0.00 N ATOM 707 CA ALA A 45 -0.247 -3.757 6.480 1.00 0.00 C ATOM 708 C ALA A 45 0.211 -2.417 7.048 1.00 0.00 C ATOM 709 O ALA A 45 -0.376 -1.901 7.999 1.00 0.00 O ATOM 710 CB ALA A 45 -0.953 -3.556 5.148 1.00 0.00 C ATOM 0 H ALA A 45 -2.079 -4.578 7.086 1.00 0.00 H new ATOM 0 HA ALA A 45 0.637 -4.374 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.288 -3.036 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.223 -4.525 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.854 -2.962 5.300 1.00 0.00 H new ATOM 716 N VAL A 46 1.262 -1.858 6.456 1.00 0.00 N ATOM 717 CA VAL A 46 1.881 -0.648 6.984 1.00 0.00 C ATOM 718 C VAL A 46 1.756 0.509 5.998 1.00 0.00 C ATOM 719 O VAL A 46 1.366 0.317 4.845 1.00 0.00 O ATOM 720 CB VAL A 46 3.369 -0.873 7.313 1.00 0.00 C ATOM 721 CG1 VAL A 46 3.522 -1.948 8.378 1.00 0.00 C ATOM 722 CG2 VAL A 46 4.141 -1.253 6.059 1.00 0.00 C ATOM 0 H VAL A 46 1.702 -2.223 5.611 1.00 0.00 H new ATOM 0 HA VAL A 46 1.350 -0.397 7.902 1.00 0.00 H new ATOM 0 HB VAL A 46 3.780 0.059 7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.579 -2.094 8.598 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.002 -1.639 9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.094 -2.883 8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.190 -1.408 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.728 -2.172 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.059 -0.452 5.324 1.00 0.00 H new ATOM 732 N THR A 47 2.089 1.711 6.458 1.00 0.00 N ATOM 733 CA THR A 47 1.924 2.911 5.649 1.00 0.00 C ATOM 734 C THR A 47 3.136 3.139 4.752 1.00 0.00 C ATOM 735 O THR A 47 4.061 2.327 4.722 1.00 0.00 O ATOM 736 CB THR A 47 1.704 4.158 6.526 1.00 0.00 C ATOM 737 OG1 THR A 47 1.265 5.250 5.708 1.00 0.00 O ATOM 738 CG2 THR A 47 2.994 4.547 7.233 1.00 0.00 C ATOM 0 H THR A 47 2.475 1.879 7.387 1.00 0.00 H new ATOM 0 HA THR A 47 1.041 2.755 5.030 1.00 0.00 H new ATOM 0 HB THR A 47 0.946 3.928 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.124 6.042 6.268 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.820 5.430 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.325 3.723 7.866 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.763 4.767 6.492 1.00 0.00 H new ATOM 746 N PHE A 48 3.125 4.249 4.021 1.00 0.00 N ATOM 747 CA PHE A 48 4.036 4.434 2.899 1.00 0.00 C ATOM 748 C PHE A 48 4.273 5.918 2.630 1.00 0.00 C ATOM 749 O PHE A 48 3.577 6.775 3.172 1.00 0.00 O ATOM 750 CB PHE A 48 3.490 3.750 1.645 1.00 0.00 C ATOM 751 CG PHE A 48 2.108 4.200 1.262 1.00 0.00 C ATOM 752 CD1 PHE A 48 0.989 3.636 1.855 1.00 0.00 C ATOM 753 CD2 PHE A 48 1.926 5.190 0.308 1.00 0.00 C ATOM 754 CE1 PHE A 48 -0.281 4.047 1.503 1.00 0.00 C ATOM 755 CE2 PHE A 48 0.656 5.606 -0.044 1.00 0.00 C ATOM 756 CZ PHE A 48 -0.448 5.034 0.552 1.00 0.00 C ATOM 0 H PHE A 48 2.495 5.034 4.186 1.00 0.00 H new ATOM 0 HA PHE A 48 4.990 3.975 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.168 3.942 0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.480 2.672 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.112 2.865 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.786 5.641 -0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.144 3.597 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.528 6.380 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.441 5.357 0.276 1.00 0.00 H new ATOM 766 N GLU A 49 5.260 6.211 1.789 1.00 0.00 N ATOM 767 CA GLU A 49 5.545 7.585 1.395 1.00 0.00 C ATOM 768 C GLU A 49 4.466 8.118 0.456 1.00 0.00 C ATOM 769 O GLU A 49 4.027 7.441 -0.473 1.00 0.00 O ATOM 770 CB GLU A 49 6.919 7.680 0.729 1.00 0.00 C ATOM 771 CG GLU A 49 8.093 7.523 1.685 1.00 0.00 C ATOM 772 CD GLU A 49 9.403 7.754 0.983 1.00 0.00 C ATOM 773 OE1 GLU A 49 9.394 7.919 -0.212 1.00 0.00 O ATOM 774 OE2 GLU A 49 10.400 7.878 1.655 1.00 0.00 O ATOM 0 H GLU A 49 5.875 5.515 1.368 1.00 0.00 H new ATOM 0 HA GLU A 49 5.550 8.199 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.989 6.913 -0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.001 8.645 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.990 8.228 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.081 6.523 2.118 1.00 0.00 H new ATOM 781 N PRO A 50 4.026 9.361 0.705 1.00 0.00 N ATOM 782 CA PRO A 50 2.911 9.967 -0.028 1.00 0.00 C ATOM 783 C PRO A 50 3.250 10.222 -1.492 1.00 0.00 C ATOM 784 O PRO A 50 4.356 10.656 -1.818 1.00 0.00 O ATOM 785 CB PRO A 50 2.638 11.271 0.729 1.00 0.00 C ATOM 786 CG PRO A 50 3.906 11.549 1.460 1.00 0.00 C ATOM 787 CD PRO A 50 4.457 10.198 1.832 1.00 0.00 C ATOM 0 HA PRO A 50 2.040 9.313 -0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.388 12.082 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.799 11.163 1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.607 12.101 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.724 12.157 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.542 10.216 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.054 9.842 2.780 1.00 0.00 H new ATOM 795 N THR A 51 2.292 9.951 -2.373 1.00 0.00 N ATOM 796 CA THR A 51 2.479 10.180 -3.800 1.00 0.00 C ATOM 797 C THR A 51 1.140 10.277 -4.522 1.00 0.00 C ATOM 798 O THR A 51 0.132 9.743 -4.058 1.00 0.00 O ATOM 799 CB THR A 51 3.320 9.064 -4.445 1.00 0.00 C ATOM 800 OG1 THR A 51 3.551 9.374 -5.827 1.00 0.00 O ATOM 801 CG2 THR A 51 2.602 7.727 -4.343 1.00 0.00 C ATOM 0 H THR A 51 1.378 9.573 -2.123 1.00 0.00 H new ATOM 0 HA THR A 51 3.011 11.126 -3.900 1.00 0.00 H new ATOM 0 HB THR A 51 4.271 8.995 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.088 8.664 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.212 6.950 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.436 7.482 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.643 7.789 -4.858 1.00 0.00 H new ATOM 809 N THR A 52 1.135 10.962 -5.662 1.00 0.00 N ATOM 810 CA THR A 52 -0.093 11.184 -6.414 1.00 0.00 C ATOM 811 C THR A 52 0.183 11.246 -7.912 1.00 0.00 C ATOM 812 O THR A 52 1.202 11.786 -8.343 1.00 0.00 O ATOM 813 CB THR A 52 -0.797 12.481 -5.978 1.00 0.00 C ATOM 814 OG1 THR A 52 -2.029 12.625 -6.697 1.00 0.00 O ATOM 815 CG2 THR A 52 0.089 13.687 -6.250 1.00 0.00 C ATOM 0 H THR A 52 1.968 11.372 -6.084 1.00 0.00 H new ATOM 0 HA THR A 52 -0.748 10.339 -6.202 1.00 0.00 H new ATOM 0 HB THR A 52 -0.998 12.425 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.477 13.451 -6.417 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.426 14.595 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.021 13.587 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.307 13.745 -7.316 1.00 0.00 H new ATOM 823 N ASN A 53 -0.729 10.690 -8.702 1.00 0.00 N ATOM 824 CA ASN A 53 -0.615 10.740 -10.155 1.00 0.00 C ATOM 825 C ASN A 53 -1.824 11.440 -10.771 1.00 0.00 C ATOM 826 O ASN A 53 -2.855 11.608 -10.120 1.00 0.00 O ATOM 827 CB ASN A 53 -0.450 9.353 -10.748 1.00 0.00 C ATOM 828 CG ASN A 53 0.732 8.599 -10.206 1.00 0.00 C ATOM 829 OD1 ASN A 53 1.889 8.974 -10.429 1.00 0.00 O ATOM 830 ND2 ASN A 53 0.450 7.494 -9.563 1.00 0.00 N ATOM 0 H ASN A 53 -1.556 10.199 -8.361 1.00 0.00 H new ATOM 0 HA ASN A 53 0.280 11.316 -10.393 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.355 8.777 -10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.349 9.440 -11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.203 6.897 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.522 7.230 -9.405 1.00 0.00 H new ATOM 837 N ASN A 54 -1.688 11.844 -12.029 1.00 0.00 N ATOM 838 CA ASN A 54 -2.805 12.415 -12.772 1.00 0.00 C ATOM 839 C ASN A 54 -3.789 11.329 -13.198 1.00 0.00 C ATOM 840 O ASN A 54 -4.942 11.613 -13.523 1.00 0.00 O ATOM 841 CB ASN A 54 -2.328 13.197 -13.982 1.00 0.00 C ATOM 842 CG ASN A 54 -1.637 14.487 -13.635 1.00 0.00 C ATOM 843 OD1 ASN A 54 -1.833 15.048 -12.551 1.00 0.00 O ATOM 844 ND2 ASN A 54 -0.893 15.002 -14.580 1.00 0.00 N ATOM 0 H ASN A 54 -0.816 11.787 -12.555 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.318 13.107 -12.105 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.646 12.574 -14.560 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.182 13.414 -14.623 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.444 15.907 -14.439 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.762 14.499 -15.458 1.00 0.00 H new ATOM 851 N LYS A 55 -3.326 10.083 -13.192 1.00 0.00 N ATOM 852 CA LYS A 55 -4.170 8.950 -13.551 1.00 0.00 C ATOM 853 C LYS A 55 -4.873 8.386 -12.321 1.00 0.00 C ATOM 854 O LYS A 55 -5.778 7.560 -12.436 1.00 0.00 O ATOM 855 CB LYS A 55 -3.344 7.860 -14.234 1.00 0.00 C ATOM 856 CG LYS A 55 -2.754 8.266 -15.578 1.00 0.00 C ATOM 857 CD LYS A 55 -1.922 7.143 -16.179 1.00 0.00 C ATOM 858 CE LYS A 55 -1.344 7.543 -17.529 1.00 0.00 C ATOM 859 NZ LYS A 55 -0.543 6.447 -18.137 1.00 0.00 N ATOM 0 H LYS A 55 -2.369 9.833 -12.942 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.929 9.302 -14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.532 7.566 -13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.973 6.981 -14.378 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.557 8.533 -16.264 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.134 9.153 -15.452 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.112 6.883 -15.497 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.540 6.252 -16.295 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.155 7.817 -18.204 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.717 8.426 -17.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.167 6.760 -19.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.246 6.202 -17.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.147 5.612 -18.277 1.00 0.00 H new ATOM 873 N GLY A 56 -4.453 8.840 -11.143 1.00 0.00 N ATOM 874 CA GLY A 56 -5.082 8.400 -9.912 1.00 0.00 C ATOM 875 C GLY A 56 -4.110 8.356 -8.749 1.00 0.00 C ATOM 876 O GLY A 56 -2.903 8.518 -8.931 1.00 0.00 O ATOM 0 H GLY A 56 -3.689 9.504 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.906 9.071 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.511 7.409 -10.061 1.00 0.00 H new ATOM 880 N LEU A 57 -4.637 8.136 -7.549 1.00 0.00 N ATOM 881 CA LEU A 57 -3.804 8.037 -6.356 1.00 0.00 C ATOM 882 C LEU A 57 -3.127 6.673 -6.274 1.00 0.00 C ATOM 883 O LEU A 57 -3.728 5.651 -6.603 1.00 0.00 O ATOM 884 CB LEU A 57 -4.644 8.294 -5.099 1.00 0.00 C ATOM 885 CG LEU A 57 -5.235 9.704 -4.985 1.00 0.00 C ATOM 886 CD1 LEU A 57 -6.133 9.798 -3.759 1.00 0.00 C ATOM 887 CD2 LEU A 57 -4.109 10.725 -4.909 1.00 0.00 C ATOM 0 H LEU A 57 -5.636 8.023 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.025 8.797 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.460 7.572 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.024 8.105 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.840 9.915 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.547 10.804 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.945 9.076 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.550 9.581 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.531 11.727 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.490 10.520 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.498 10.660 -5.809 1.00 0.00 H new ATOM 899 N SER A 58 -1.873 6.666 -5.832 1.00 0.00 N ATOM 900 CA SER A 58 -1.074 5.447 -5.824 1.00 0.00 C ATOM 901 C SER A 58 -0.227 5.360 -4.556 1.00 0.00 C ATOM 902 O SER A 58 -0.126 6.324 -3.799 1.00 0.00 O ATOM 903 CB SER A 58 -0.192 5.392 -7.057 1.00 0.00 C ATOM 904 OG SER A 58 0.769 6.411 -7.062 1.00 0.00 O ATOM 0 H SER A 58 -1.389 7.490 -5.475 1.00 0.00 H new ATOM 0 HA SER A 58 -1.750 4.592 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.306 4.424 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.812 5.474 -7.950 1.00 0.00 H new ATOM 0 HG SER A 58 1.620 6.057 -7.395 1.00 0.00 H new ATOM 910 N ALA A 59 0.377 4.198 -4.336 1.00 0.00 N ATOM 911 CA ALA A 59 1.203 3.980 -3.154 1.00 0.00 C ATOM 912 C ALA A 59 2.624 3.587 -3.543 1.00 0.00 C ATOM 913 O ALA A 59 2.831 2.816 -4.481 1.00 0.00 O ATOM 914 CB ALA A 59 0.582 2.912 -2.266 1.00 0.00 C ATOM 0 H ALA A 59 0.311 3.393 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 59 1.252 4.916 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.209 2.760 -1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.411 3.233 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.503 1.978 -2.822 1.00 0.00 H new ATOM 920 N TYR A 60 3.601 4.122 -2.818 1.00 0.00 N ATOM 921 CA TYR A 60 5.004 3.924 -3.162 1.00 0.00 C ATOM 922 C TYR A 60 5.878 3.934 -1.912 1.00 0.00 C ATOM 923 O TYR A 60 5.592 4.644 -0.947 1.00 0.00 O ATOM 924 CB TYR A 60 5.471 5.003 -4.143 1.00 0.00 C ATOM 925 CG TYR A 60 6.953 4.954 -4.447 1.00 0.00 C ATOM 926 CD1 TYR A 60 7.484 3.947 -5.239 1.00 0.00 C ATOM 927 CD2 TYR A 60 7.815 5.916 -3.942 1.00 0.00 C ATOM 928 CE1 TYR A 60 8.836 3.897 -5.520 1.00 0.00 C ATOM 929 CE2 TYR A 60 9.167 5.877 -4.217 1.00 0.00 C ATOM 930 CZ TYR A 60 9.675 4.865 -5.006 1.00 0.00 C ATOM 931 OH TYR A 60 11.022 4.822 -5.283 1.00 0.00 O ATOM 0 H TYR A 60 3.447 4.696 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 60 5.101 2.949 -3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.915 4.899 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.226 5.983 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.830 3.189 -5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.422 6.709 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.234 3.106 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.824 6.635 -3.817 1.00 0.00 H new ATOM 0 HH TYR A 60 11.470 5.576 -4.846 1.00 0.00 H new ATOM 941 N ALA A 61 6.945 3.143 -1.938 1.00 0.00 N ATOM 942 CA ALA A 61 7.858 3.056 -0.805 1.00 0.00 C ATOM 943 C ALA A 61 7.117 2.666 0.470 1.00 0.00 C ATOM 944 O ALA A 61 7.112 3.412 1.449 1.00 0.00 O ATOM 945 CB ALA A 61 8.587 4.378 -0.610 1.00 0.00 C ATOM 0 H ALA A 61 7.199 2.553 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 61 8.590 2.278 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.265 4.298 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.157 4.615 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.861 5.169 -0.422 1.00 0.00 H new ATOM 951 N VAL A 62 6.491 1.494 0.450 1.00 0.00 N ATOM 952 CA VAL A 62 5.816 0.969 1.629 1.00 0.00 C ATOM 953 C VAL A 62 6.820 0.470 2.662 1.00 0.00 C ATOM 954 O VAL A 62 7.618 -0.425 2.386 1.00 0.00 O ATOM 955 CB VAL A 62 4.855 -0.178 1.266 1.00 0.00 C ATOM 956 CG1 VAL A 62 4.181 -0.726 2.516 1.00 0.00 C ATOM 957 CG2 VAL A 62 3.811 0.298 0.266 1.00 0.00 C ATOM 0 H VAL A 62 6.438 0.890 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 62 5.241 1.792 2.054 1.00 0.00 H new ATOM 0 HB VAL A 62 5.434 -0.979 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.506 -1.536 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.939 -1.104 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.615 0.069 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.140 -0.525 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.237 1.116 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.307 0.644 -0.641 1.00 0.00 H new ATOM 967 N LYS A 63 6.775 1.057 3.854 1.00 0.00 N ATOM 968 CA LYS A 63 7.836 0.874 4.837 1.00 0.00 C ATOM 969 C LYS A 63 7.321 0.123 6.061 1.00 0.00 C ATOM 970 O LYS A 63 6.390 0.571 6.729 1.00 0.00 O ATOM 971 CB LYS A 63 8.422 2.224 5.253 1.00 0.00 C ATOM 972 CG LYS A 63 9.136 2.972 4.135 1.00 0.00 C ATOM 973 CD LYS A 63 9.721 4.284 4.633 1.00 0.00 C ATOM 974 CE LYS A 63 10.315 5.095 3.490 1.00 0.00 C ATOM 975 NZ LYS A 63 10.866 6.396 3.959 1.00 0.00 N ATOM 0 H LYS A 63 6.015 1.663 4.162 1.00 0.00 H new ATOM 0 HA LYS A 63 8.623 0.278 4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.618 2.852 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.123 2.065 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.932 2.348 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.437 3.168 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.944 4.866 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.492 4.082 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.105 4.519 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.548 5.276 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.668 7.132 3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.421 6.656 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.894 6.310 4.091 1.00 0.00 H new ATOM 989 N VAL A 64 7.934 -1.021 6.349 1.00 0.00 N ATOM 990 CA VAL A 64 7.534 -1.836 7.489 1.00 0.00 C ATOM 991 C VAL A 64 8.353 -1.490 8.727 1.00 0.00 C ATOM 992 O VAL A 64 9.582 -1.556 8.711 1.00 0.00 O ATOM 993 CB VAL A 64 7.684 -3.340 7.191 1.00 0.00 C ATOM 994 CG1 VAL A 64 7.287 -4.166 8.405 1.00 0.00 C ATOM 995 CG2 VAL A 64 6.843 -3.730 5.985 1.00 0.00 C ATOM 0 H VAL A 64 8.709 -1.404 5.808 1.00 0.00 H new ATOM 0 HA VAL A 64 6.483 -1.616 7.678 1.00 0.00 H new ATOM 0 HB VAL A 64 8.730 -3.543 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.399 -5.226 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.928 -3.907 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.248 -3.958 8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.961 -4.796 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.794 -3.512 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.170 -3.162 5.114 1.00 0.00 H new ATOM 1005 N VAL A 65 7.664 -1.119 9.803 1.00 0.00 N ATOM 1006 CA VAL A 65 8.327 -0.784 11.057 1.00 0.00 C ATOM 1007 C VAL A 65 8.388 -1.990 11.987 1.00 0.00 C ATOM 1008 O VAL A 65 7.382 -2.646 12.259 1.00 0.00 O ATOM 1009 CB VAL A 65 7.613 0.374 11.781 1.00 0.00 C ATOM 1010 CG1 VAL A 65 8.282 0.659 13.117 1.00 0.00 C ATOM 1011 CG2 VAL A 65 7.609 1.623 10.912 1.00 0.00 C ATOM 0 H VAL A 65 6.647 -1.043 9.830 1.00 0.00 H new ATOM 0 HA VAL A 65 9.340 -0.473 10.804 1.00 0.00 H new ATOM 0 HB VAL A 65 6.580 0.079 11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.765 1.479 13.615 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.237 -0.232 13.744 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.324 0.934 12.951 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.101 2.431 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.635 1.920 10.696 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.088 1.415 9.978 1.00 0.00 H new