USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 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 42 THR OG1 : rot 109:sc= -0.985 USER MOD Set 1.2: A 45 GLN : amide:sc= -1.61 K(o=-2.6,f=-6.3!) USER MOD Set 2.1: A 5 SER OG : rot 154:sc= 1.23 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0374 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.894 K(o=-0.89,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -110:sc= -0.448 (180deg=-2.21!) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00589 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 50:sc= 0.0757 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 130:sc= -0.221 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot -170:sc= -0.751 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -154:sc= -0.208 (180deg=-1.03) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.966 K(o=-0.97,f=-4.6!) USER MOD Single : A 69 GLN : amide:sc= -0.0088 X(o=-0.0088,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.808 9.864 -2.757 1.00 0.00 N ATOM 2 CA GLY A 1 -5.763 10.868 -2.325 1.00 0.00 C ATOM 3 C GLY A 1 -6.384 10.538 -0.983 1.00 0.00 C ATOM 4 O GLY A 1 -5.785 9.835 -0.170 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.904 10.322 -2.991 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.659 9.175 -1.992 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.176 9.374 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.265 11.836 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.550 10.962 -3.073 1.00 0.00 H new ATOM 8 N SER A 2 -7.589 11.049 -0.748 1.00 0.00 N ATOM 9 CA SER A 2 -8.289 10.809 0.508 1.00 0.00 C ATOM 10 C SER A 2 -8.676 9.339 0.642 1.00 0.00 C ATOM 11 O SER A 2 -8.514 8.555 -0.293 1.00 0.00 O ATOM 12 CB SER A 2 -9.539 11.687 0.595 1.00 0.00 C ATOM 13 OG SER A 2 -10.578 11.178 -0.224 1.00 0.00 O ATOM 0 H SER A 2 -8.100 11.632 -1.411 1.00 0.00 H new ATOM 0 HA SER A 2 -7.616 11.065 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.879 11.739 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.295 12.704 0.288 1.00 0.00 H new ATOM 0 HG SER A 2 -11.366 11.756 -0.149 1.00 0.00 H new ATOM 19 N SER A 3 -9.189 8.974 1.813 1.00 0.00 N ATOM 20 CA SER A 3 -9.595 7.597 2.073 1.00 0.00 C ATOM 21 C SER A 3 -11.104 7.507 2.280 1.00 0.00 C ATOM 22 O SER A 3 -11.608 7.768 3.372 1.00 0.00 O ATOM 23 CB SER A 3 -8.866 7.051 3.302 1.00 0.00 C ATOM 24 OG SER A 3 -7.620 6.480 2.943 1.00 0.00 O ATOM 0 H SER A 3 -9.333 9.612 2.596 1.00 0.00 H new ATOM 0 HA SER A 3 -9.328 6.995 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.708 7.854 4.022 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.486 6.301 3.793 1.00 0.00 H new ATOM 0 HG SER A 3 -7.173 6.140 3.746 1.00 0.00 H new ATOM 30 N GLY A 4 -11.819 7.135 1.223 1.00 0.00 N ATOM 31 CA GLY A 4 -13.263 7.016 1.309 1.00 0.00 C ATOM 32 C GLY A 4 -13.904 6.745 -0.038 1.00 0.00 C ATOM 33 O GLY A 4 -13.307 7.009 -1.081 1.00 0.00 O ATOM 0 H GLY A 4 -11.424 6.914 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.518 6.210 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.676 7.934 1.726 1.00 0.00 H new ATOM 37 N SER A 5 -15.123 6.215 -0.016 1.00 0.00 N ATOM 38 CA SER A 5 -15.843 5.903 -1.245 1.00 0.00 C ATOM 39 C SER A 5 -17.266 5.447 -0.940 1.00 0.00 C ATOM 40 O SER A 5 -17.601 5.144 0.206 1.00 0.00 O ATOM 41 CB SER A 5 -15.105 4.818 -2.031 1.00 0.00 C ATOM 42 OG SER A 5 -15.414 4.890 -3.413 1.00 0.00 O ATOM 0 H SER A 5 -15.632 5.993 0.839 1.00 0.00 H new ATOM 0 HA SER A 5 -15.892 6.809 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.030 4.929 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.377 3.836 -1.645 1.00 0.00 H new ATOM 0 HG SER A 5 -14.676 4.510 -3.933 1.00 0.00 H new ATOM 48 N SER A 6 -18.101 5.401 -1.973 1.00 0.00 N ATOM 49 CA SER A 6 -19.490 4.986 -1.816 1.00 0.00 C ATOM 50 C SER A 6 -19.716 3.605 -2.425 1.00 0.00 C ATOM 51 O SER A 6 -20.365 2.749 -1.826 1.00 0.00 O ATOM 52 CB SER A 6 -20.425 6.004 -2.471 1.00 0.00 C ATOM 53 OG SER A 6 -21.737 5.483 -2.600 1.00 0.00 O ATOM 0 H SER A 6 -17.840 5.646 -2.928 1.00 0.00 H new ATOM 0 HA SER A 6 -19.710 4.934 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.450 6.916 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.040 6.276 -3.454 1.00 0.00 H new ATOM 0 HG SER A 6 -22.315 6.153 -3.020 1.00 0.00 H new ATOM 59 N GLY A 7 -19.176 3.397 -3.622 1.00 0.00 N ATOM 60 CA GLY A 7 -19.330 2.120 -4.294 1.00 0.00 C ATOM 61 C GLY A 7 -18.131 1.214 -4.097 1.00 0.00 C ATOM 62 O GLY A 7 -18.079 0.440 -3.141 1.00 0.00 O ATOM 0 H GLY A 7 -18.635 4.090 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.224 1.621 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.482 2.290 -5.360 1.00 0.00 H new ATOM 66 N TYR A 8 -17.165 1.308 -5.005 1.00 0.00 N ATOM 67 CA TYR A 8 -15.963 0.487 -4.929 1.00 0.00 C ATOM 68 C TYR A 8 -14.819 1.124 -5.712 1.00 0.00 C ATOM 69 O TYR A 8 -14.935 1.370 -6.913 1.00 0.00 O ATOM 70 CB TYR A 8 -16.244 -0.917 -5.467 1.00 0.00 C ATOM 71 CG TYR A 8 -15.193 -1.934 -5.083 1.00 0.00 C ATOM 72 CD1 TYR A 8 -15.232 -2.570 -3.848 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.161 -2.258 -5.954 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.274 -3.499 -3.492 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.199 -3.187 -5.607 1.00 0.00 C ATOM 76 CZ TYR A 8 -13.260 -3.805 -4.375 1.00 0.00 C ATOM 77 OH TYR A 8 -12.303 -4.730 -4.026 1.00 0.00 O ATOM 0 H TYR A 8 -17.192 1.944 -5.802 1.00 0.00 H new ATOM 0 HA TYR A 8 -15.668 0.415 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.213 -1.251 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.315 -0.873 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.025 -2.334 -3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.110 -1.776 -6.919 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.319 -3.983 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.403 -3.428 -6.297 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.662 -4.830 -4.760 1.00 0.00 H new ATOM 87 N SER A 9 -13.713 1.387 -5.023 1.00 0.00 N ATOM 88 CA SER A 9 -12.548 1.998 -5.652 1.00 0.00 C ATOM 89 C SER A 9 -11.410 0.989 -5.783 1.00 0.00 C ATOM 90 O SER A 9 -11.399 -0.042 -5.112 1.00 0.00 O ATOM 91 CB SER A 9 -12.080 3.208 -4.841 1.00 0.00 C ATOM 92 OG SER A 9 -13.136 4.134 -4.651 1.00 0.00 O ATOM 0 H SER A 9 -13.599 1.187 -4.029 1.00 0.00 H new ATOM 0 HA SER A 9 -12.836 2.328 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.704 2.877 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.252 3.696 -5.355 1.00 0.00 H new ATOM 0 HG SER A 9 -12.812 4.897 -4.129 1.00 0.00 H new ATOM 98 N VAL A 10 -10.454 1.296 -6.655 1.00 0.00 N ATOM 99 CA VAL A 10 -9.311 0.418 -6.875 1.00 0.00 C ATOM 100 C VAL A 10 -8.019 1.065 -6.390 1.00 0.00 C ATOM 101 O VAL A 10 -7.596 2.098 -6.909 1.00 0.00 O ATOM 102 CB VAL A 10 -9.162 0.054 -8.364 1.00 0.00 C ATOM 103 CG1 VAL A 10 -7.937 -0.821 -8.580 1.00 0.00 C ATOM 104 CG2 VAL A 10 -10.418 -0.639 -8.872 1.00 0.00 C ATOM 0 H VAL A 10 -10.449 2.145 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.496 -0.491 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.027 0.974 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.848 -1.068 -9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.045 -0.284 -8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.039 -1.739 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.295 -0.889 -9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.587 -1.551 -8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.273 0.026 -8.754 1.00 0.00 H new ATOM 114 N LYS A 11 -7.396 0.451 -5.390 1.00 0.00 N ATOM 115 CA LYS A 11 -6.150 0.965 -4.834 1.00 0.00 C ATOM 116 C LYS A 11 -5.529 -0.040 -3.868 1.00 0.00 C ATOM 117 O LYS A 11 -6.231 -0.856 -3.272 1.00 0.00 O ATOM 118 CB LYS A 11 -6.398 2.293 -4.114 1.00 0.00 C ATOM 119 CG LYS A 11 -5.159 3.164 -3.999 1.00 0.00 C ATOM 120 CD LYS A 11 -4.986 4.052 -5.219 1.00 0.00 C ATOM 121 CE LYS A 11 -5.907 5.261 -5.164 1.00 0.00 C ATOM 122 NZ LYS A 11 -5.341 6.351 -4.321 1.00 0.00 N ATOM 0 H LYS A 11 -7.734 -0.404 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.455 1.129 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.172 2.846 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.782 2.088 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.230 3.783 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.279 2.532 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.950 4.385 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.193 3.477 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.077 5.634 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.877 4.961 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.998 7.157 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.202 6.003 -3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.427 6.655 -4.714 1.00 0.00 H new ATOM 136 N TRP A 12 -4.211 0.027 -3.720 1.00 0.00 N ATOM 137 CA TRP A 12 -3.497 -0.877 -2.825 1.00 0.00 C ATOM 138 C TRP A 12 -3.267 -0.228 -1.465 1.00 0.00 C ATOM 139 O TRP A 12 -3.026 0.977 -1.373 1.00 0.00 O ATOM 140 CB TRP A 12 -2.158 -1.286 -3.442 1.00 0.00 C ATOM 141 CG TRP A 12 -2.292 -2.319 -4.520 1.00 0.00 C ATOM 142 CD1 TRP A 12 -3.160 -2.295 -5.574 1.00 0.00 C ATOM 143 CD2 TRP A 12 -1.535 -3.527 -4.648 1.00 0.00 C ATOM 144 NE1 TRP A 12 -2.988 -3.416 -6.350 1.00 0.00 N ATOM 145 CE2 TRP A 12 -1.997 -4.188 -5.803 1.00 0.00 C ATOM 146 CE3 TRP A 12 -0.511 -4.115 -3.901 1.00 0.00 C ATOM 147 CZ2 TRP A 12 -1.470 -5.405 -6.225 1.00 0.00 C ATOM 148 CZ3 TRP A 12 0.011 -5.323 -4.320 1.00 0.00 C ATOM 149 CH2 TRP A 12 -0.468 -5.958 -5.474 1.00 0.00 C ATOM 0 H TRP A 12 -3.616 0.697 -4.207 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.110 -1.767 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.671 -0.402 -3.854 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -1.507 -1.672 -2.657 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.876 -1.510 -5.769 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.513 -3.637 -7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.134 -3.633 -3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.839 -5.896 -7.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.802 -5.786 -3.749 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.038 -6.902 -5.776 1.00 0.00 H new ATOM 160 N THR A 13 -3.342 -1.032 -0.409 1.00 0.00 N ATOM 161 CA THR A 13 -3.142 -0.535 0.946 1.00 0.00 C ATOM 162 C THR A 13 -1.705 -0.752 1.405 1.00 0.00 C ATOM 163 O THR A 13 -1.028 -1.671 0.943 1.00 0.00 O ATOM 164 CB THR A 13 -4.096 -1.221 1.942 1.00 0.00 C ATOM 165 OG1 THR A 13 -3.892 -2.638 1.920 1.00 0.00 O ATOM 166 CG2 THR A 13 -5.547 -0.907 1.606 1.00 0.00 C ATOM 0 H THR A 13 -3.540 -2.031 -0.467 1.00 0.00 H new ATOM 0 HA THR A 13 -3.356 0.534 0.926 1.00 0.00 H new ATOM 0 HB THR A 13 -3.880 -0.839 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.501 -3.066 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.202 -1.402 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.706 0.170 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.773 -1.264 0.601 1.00 0.00 H new ATOM 174 N ILE A 14 -1.246 0.098 2.317 1.00 0.00 N ATOM 175 CA ILE A 14 0.111 -0.003 2.840 1.00 0.00 C ATOM 176 C ILE A 14 0.461 -1.446 3.186 1.00 0.00 C ATOM 177 O ILE A 14 1.517 -1.947 2.802 1.00 0.00 O ATOM 178 CB ILE A 14 0.299 0.874 4.092 1.00 0.00 C ATOM 179 CG1 ILE A 14 -0.018 2.336 3.771 1.00 0.00 C ATOM 180 CG2 ILE A 14 1.717 0.739 4.626 1.00 0.00 C ATOM 181 CD1 ILE A 14 1.000 2.989 2.863 1.00 0.00 C ATOM 0 H ILE A 14 -1.794 0.864 2.709 1.00 0.00 H new ATOM 0 HA ILE A 14 0.779 0.352 2.055 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.393 0.533 4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.000 2.392 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.077 2.900 4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.834 1.365 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.909 -0.301 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.426 1.056 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.712 4.024 2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.980 2.965 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.043 2.450 1.917 1.00 0.00 H new ATOM 193 N GLU A 15 -0.433 -2.108 3.913 1.00 0.00 N ATOM 194 CA GLU A 15 -0.219 -3.495 4.309 1.00 0.00 C ATOM 195 C GLU A 15 0.192 -4.346 3.111 1.00 0.00 C ATOM 196 O GLU A 15 1.216 -5.028 3.144 1.00 0.00 O ATOM 197 CB GLU A 15 -1.486 -4.068 4.946 1.00 0.00 C ATOM 198 CG GLU A 15 -1.390 -5.551 5.263 1.00 0.00 C ATOM 199 CD GLU A 15 -2.749 -6.218 5.352 1.00 0.00 C ATOM 200 OE1 GLU A 15 -3.263 -6.659 4.302 1.00 0.00 O ATOM 201 OE2 GLU A 15 -3.300 -6.298 6.470 1.00 0.00 O ATOM 0 H GLU A 15 -1.312 -1.707 4.240 1.00 0.00 H new ATOM 0 HA GLU A 15 0.588 -3.517 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.700 -3.522 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.328 -3.902 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.797 -6.045 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.862 -5.683 6.207 1.00 0.00 H new ATOM 208 N GLU A 16 -0.615 -4.301 2.056 1.00 0.00 N ATOM 209 CA GLU A 16 -0.336 -5.069 0.848 1.00 0.00 C ATOM 210 C GLU A 16 0.958 -4.598 0.191 1.00 0.00 C ATOM 211 O GLU A 16 1.840 -5.401 -0.117 1.00 0.00 O ATOM 212 CB GLU A 16 -1.497 -4.946 -0.140 1.00 0.00 C ATOM 213 CG GLU A 16 -2.627 -5.927 0.123 1.00 0.00 C ATOM 214 CD GLU A 16 -3.932 -5.500 -0.521 1.00 0.00 C ATOM 215 OE1 GLU A 16 -3.889 -4.936 -1.634 1.00 0.00 O ATOM 216 OE2 GLU A 16 -4.997 -5.730 0.090 1.00 0.00 O ATOM 0 H GLU A 16 -1.467 -3.741 2.013 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.219 -6.115 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.892 -3.931 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.121 -5.101 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.345 -6.910 -0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.773 -6.028 1.199 1.00 0.00 H new ATOM 223 N LYS A 17 1.065 -3.291 -0.022 1.00 0.00 N ATOM 224 CA LYS A 17 2.250 -2.711 -0.643 1.00 0.00 C ATOM 225 C LYS A 17 3.522 -3.274 -0.017 1.00 0.00 C ATOM 226 O LYS A 17 4.439 -3.692 -0.724 1.00 0.00 O ATOM 227 CB LYS A 17 2.231 -1.187 -0.501 1.00 0.00 C ATOM 228 CG LYS A 17 1.236 -0.503 -1.421 1.00 0.00 C ATOM 229 CD LYS A 17 0.904 0.900 -0.940 1.00 0.00 C ATOM 230 CE LYS A 17 1.933 1.912 -1.419 1.00 0.00 C ATOM 231 NZ LYS A 17 1.411 3.305 -1.357 1.00 0.00 N ATOM 0 H LYS A 17 0.345 -2.613 0.226 1.00 0.00 H new ATOM 0 HA LYS A 17 2.240 -2.972 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.995 -0.930 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.229 -0.799 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.646 -0.455 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.323 -1.095 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.084 1.185 -1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.861 0.912 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.832 1.833 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.223 1.678 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.142 3.965 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.568 3.387 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.158 3.538 -0.375 1.00 0.00 H new ATOM 245 N GLU A 18 3.570 -3.284 1.311 1.00 0.00 N ATOM 246 CA GLU A 18 4.730 -3.797 2.030 1.00 0.00 C ATOM 247 C GLU A 18 4.989 -5.258 1.671 1.00 0.00 C ATOM 248 O GLU A 18 6.068 -5.609 1.192 1.00 0.00 O ATOM 249 CB GLU A 18 4.524 -3.660 3.540 1.00 0.00 C ATOM 250 CG GLU A 18 4.881 -2.286 4.080 1.00 0.00 C ATOM 251 CD GLU A 18 6.372 -2.013 4.042 1.00 0.00 C ATOM 252 OE1 GLU A 18 7.154 -2.956 4.283 1.00 0.00 O ATOM 253 OE2 GLU A 18 6.755 -0.856 3.772 1.00 0.00 O ATOM 0 H GLU A 18 2.819 -2.943 1.911 1.00 0.00 H new ATOM 0 HA GLU A 18 5.598 -3.208 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.482 -3.875 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.128 -4.410 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.361 -1.525 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.526 -2.200 5.107 1.00 0.00 H new ATOM 260 N LEU A 19 3.993 -6.105 1.907 1.00 0.00 N ATOM 261 CA LEU A 19 4.112 -7.528 1.610 1.00 0.00 C ATOM 262 C LEU A 19 4.638 -7.747 0.195 1.00 0.00 C ATOM 263 O LEU A 19 5.623 -8.456 -0.010 1.00 0.00 O ATOM 264 CB LEU A 19 2.758 -8.219 1.775 1.00 0.00 C ATOM 265 CG LEU A 19 2.253 -8.371 3.211 1.00 0.00 C ATOM 266 CD1 LEU A 19 0.739 -8.513 3.232 1.00 0.00 C ATOM 267 CD2 LEU A 19 2.912 -9.566 3.884 1.00 0.00 C ATOM 0 H LEU A 19 3.094 -5.831 2.303 1.00 0.00 H new ATOM 0 HA LEU A 19 4.823 -7.962 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.015 -7.659 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.821 -9.210 1.326 1.00 0.00 H new ATOM 0 HG LEU A 19 2.521 -7.473 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.398 -8.620 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.284 -7.627 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.448 -9.394 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.541 -9.659 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.675 -10.473 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.992 -9.423 3.902 1.00 0.00 H new ATOM 279 N PHE A 20 3.976 -7.130 -0.779 1.00 0.00 N ATOM 280 CA PHE A 20 4.377 -7.257 -2.175 1.00 0.00 C ATOM 281 C PHE A 20 5.896 -7.233 -2.309 1.00 0.00 C ATOM 282 O PHE A 20 6.488 -8.116 -2.929 1.00 0.00 O ATOM 283 CB PHE A 20 3.763 -6.129 -3.008 1.00 0.00 C ATOM 284 CG PHE A 20 4.482 -5.881 -4.303 1.00 0.00 C ATOM 285 CD1 PHE A 20 4.223 -6.665 -5.416 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.416 -4.863 -4.408 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.884 -6.439 -6.608 1.00 0.00 C ATOM 288 CE2 PHE A 20 6.080 -4.632 -5.598 1.00 0.00 C ATOM 289 CZ PHE A 20 5.813 -5.420 -6.700 1.00 0.00 C ATOM 0 H PHE A 20 3.160 -6.537 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 20 4.012 -8.215 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.721 -6.370 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.764 -5.212 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.496 -7.461 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.628 -4.243 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.675 -7.058 -7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.807 -3.836 -5.666 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.329 -5.240 -7.632 1.00 0.00 H new ATOM 299 N GLU A 21 6.521 -6.217 -1.723 1.00 0.00 N ATOM 300 CA GLU A 21 7.971 -6.078 -1.778 1.00 0.00 C ATOM 301 C GLU A 21 8.657 -7.244 -1.072 1.00 0.00 C ATOM 302 O GLU A 21 9.427 -7.985 -1.682 1.00 0.00 O ATOM 303 CB GLU A 21 8.404 -4.756 -1.140 1.00 0.00 C ATOM 304 CG GLU A 21 8.467 -3.598 -2.122 1.00 0.00 C ATOM 305 CD GLU A 21 9.801 -3.513 -2.838 1.00 0.00 C ATOM 306 OE1 GLU A 21 10.278 -4.557 -3.330 1.00 0.00 O ATOM 307 OE2 GLU A 21 10.367 -2.402 -2.907 1.00 0.00 O ATOM 0 H GLU A 21 6.046 -5.478 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 21 8.271 -6.083 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.709 -4.504 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.385 -4.887 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.670 -3.707 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.284 -2.665 -1.590 1.00 0.00 H new ATOM 314 N GLN A 22 8.371 -7.398 0.217 1.00 0.00 N ATOM 315 CA GLN A 22 8.960 -8.473 1.006 1.00 0.00 C ATOM 316 C GLN A 22 9.134 -9.734 0.166 1.00 0.00 C ATOM 317 O GLN A 22 10.201 -10.346 0.159 1.00 0.00 O ATOM 318 CB GLN A 22 8.089 -8.776 2.227 1.00 0.00 C ATOM 319 CG GLN A 22 8.101 -7.671 3.271 1.00 0.00 C ATOM 320 CD GLN A 22 7.035 -7.861 4.333 1.00 0.00 C ATOM 321 OE1 GLN A 22 7.100 -8.795 5.134 1.00 0.00 O ATOM 322 NE2 GLN A 22 6.047 -6.974 4.346 1.00 0.00 N ATOM 0 H GLN A 22 7.736 -6.792 0.736 1.00 0.00 H new ATOM 0 HA GLN A 22 9.943 -8.144 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.063 -8.943 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.432 -9.703 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.081 -7.637 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.952 -6.710 2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.033 -6.216 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.302 -7.051 5.038 1.00 0.00 H new ATOM 331 N GLY A 23 8.076 -10.117 -0.542 1.00 0.00 N ATOM 332 CA GLY A 23 8.132 -11.304 -1.376 1.00 0.00 C ATOM 333 C GLY A 23 8.829 -11.051 -2.698 1.00 0.00 C ATOM 334 O GLY A 23 9.455 -11.951 -3.261 1.00 0.00 O ATOM 0 H GLY A 23 7.181 -9.627 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.653 -12.097 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.119 -11.660 -1.565 1.00 0.00 H new ATOM 338 N LEU A 24 8.722 -9.824 -3.197 1.00 0.00 N ATOM 339 CA LEU A 24 9.346 -9.455 -4.462 1.00 0.00 C ATOM 340 C LEU A 24 10.867 -9.522 -4.359 1.00 0.00 C ATOM 341 O LEU A 24 11.551 -9.849 -5.329 1.00 0.00 O ATOM 342 CB LEU A 24 8.913 -8.048 -4.876 1.00 0.00 C ATOM 343 CG LEU A 24 9.441 -7.552 -6.223 1.00 0.00 C ATOM 344 CD1 LEU A 24 8.480 -7.922 -7.342 1.00 0.00 C ATOM 345 CD2 LEU A 24 9.665 -6.047 -6.186 1.00 0.00 C ATOM 0 H LEU A 24 8.209 -9.068 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 24 9.020 -10.166 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.824 -8.018 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.233 -7.349 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 24 10.397 -8.037 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.872 -7.561 -8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.369 -9.006 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.509 -7.465 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.041 -5.711 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.723 -5.544 -5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.392 -5.806 -5.411 1.00 0.00 H new ATOM 357 N ALA A 25 11.389 -9.212 -3.177 1.00 0.00 N ATOM 358 CA ALA A 25 12.828 -9.240 -2.946 1.00 0.00 C ATOM 359 C ALA A 25 13.344 -10.674 -2.880 1.00 0.00 C ATOM 360 O ALA A 25 14.290 -11.037 -3.580 1.00 0.00 O ATOM 361 CB ALA A 25 13.172 -8.494 -1.666 1.00 0.00 C ATOM 0 H ALA A 25 10.837 -8.938 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 25 13.316 -8.743 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.250 -8.523 -1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.846 -7.457 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.667 -8.966 -0.823 1.00 0.00 H new ATOM 367 N LYS A 26 12.719 -11.485 -2.033 1.00 0.00 N ATOM 368 CA LYS A 26 13.115 -12.879 -1.875 1.00 0.00 C ATOM 369 C LYS A 26 12.796 -13.681 -3.133 1.00 0.00 C ATOM 370 O LYS A 26 13.675 -14.318 -3.714 1.00 0.00 O ATOM 371 CB LYS A 26 12.405 -13.499 -0.670 1.00 0.00 C ATOM 372 CG LYS A 26 10.891 -13.393 -0.735 1.00 0.00 C ATOM 373 CD LYS A 26 10.256 -13.639 0.623 1.00 0.00 C ATOM 374 CE LYS A 26 10.408 -15.089 1.056 1.00 0.00 C ATOM 375 NZ LYS A 26 11.738 -15.346 1.676 1.00 0.00 N ATOM 0 H LYS A 26 11.936 -11.200 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 26 14.192 -12.908 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.684 -14.550 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.756 -13.011 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.610 -12.403 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.505 -14.116 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.717 -12.987 1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.198 -13.379 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.621 -15.340 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.277 -15.741 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.309 -15.938 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.226 -14.442 1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.609 -15.838 2.583 1.00 0.00 H new ATOM 389 N PHE A 27 11.535 -13.644 -3.550 1.00 0.00 N ATOM 390 CA PHE A 27 11.101 -14.367 -4.740 1.00 0.00 C ATOM 391 C PHE A 27 11.641 -13.706 -6.004 1.00 0.00 C ATOM 392 O PHE A 27 11.881 -14.371 -7.011 1.00 0.00 O ATOM 393 CB PHE A 27 9.573 -14.429 -4.795 1.00 0.00 C ATOM 394 CG PHE A 27 8.955 -15.075 -3.589 1.00 0.00 C ATOM 395 CD1 PHE A 27 9.288 -16.373 -3.235 1.00 0.00 C ATOM 396 CD2 PHE A 27 8.042 -14.385 -2.808 1.00 0.00 C ATOM 397 CE1 PHE A 27 8.720 -16.970 -2.125 1.00 0.00 C ATOM 398 CE2 PHE A 27 7.471 -14.977 -1.697 1.00 0.00 C ATOM 399 CZ PHE A 27 7.812 -16.271 -1.355 1.00 0.00 C ATOM 0 H PHE A 27 10.795 -13.121 -3.081 1.00 0.00 H new ATOM 0 HA PHE A 27 11.497 -15.381 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.180 -13.417 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.272 -14.979 -5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.999 -16.924 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.773 -13.372 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.986 -17.983 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.759 -14.429 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.369 -16.735 -0.486 1.00 0.00 H new ATOM 409 N GLY A 28 11.829 -12.391 -5.944 1.00 0.00 N ATOM 410 CA GLY A 28 12.338 -11.661 -7.091 1.00 0.00 C ATOM 411 C GLY A 28 11.231 -11.052 -7.928 1.00 0.00 C ATOM 412 O GLY A 28 10.611 -10.066 -7.529 1.00 0.00 O ATOM 0 H GLY A 28 11.638 -11.818 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.006 -10.871 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.931 -12.333 -7.712 1.00 0.00 H new ATOM 416 N ARG A 29 10.983 -11.639 -9.095 1.00 0.00 N ATOM 417 CA ARG A 29 9.946 -11.146 -9.993 1.00 0.00 C ATOM 418 C ARG A 29 8.859 -12.198 -10.198 1.00 0.00 C ATOM 419 O ARG A 29 8.224 -12.251 -11.251 1.00 0.00 O ATOM 420 CB ARG A 29 10.552 -10.755 -11.341 1.00 0.00 C ATOM 421 CG ARG A 29 11.166 -9.364 -11.352 1.00 0.00 C ATOM 422 CD ARG A 29 10.115 -8.293 -11.597 1.00 0.00 C ATOM 423 NE ARG A 29 9.801 -8.149 -13.016 1.00 0.00 N ATOM 424 CZ ARG A 29 9.233 -7.067 -13.537 1.00 0.00 C ATOM 425 NH1 ARG A 29 8.919 -6.040 -12.760 1.00 0.00 N ATOM 426 NH2 ARG A 29 8.978 -7.011 -14.838 1.00 0.00 N ATOM 0 H ARG A 29 11.486 -12.456 -9.440 1.00 0.00 H new ATOM 0 HA ARG A 29 9.494 -10.265 -9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.317 -11.483 -11.611 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.778 -10.807 -12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.663 -9.177 -10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.931 -9.309 -12.127 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.207 -8.544 -11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.471 -7.340 -11.206 1.00 0.00 H new ATOM 0 HE ARG A 29 10.030 -8.922 -13.641 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.113 -6.079 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.483 -5.210 -13.163 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.218 -7.799 -15.439 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.542 -6.180 -15.237 1.00 0.00 H new ATOM 440 N ARG A 30 8.653 -13.033 -9.184 1.00 0.00 N ATOM 441 CA ARG A 30 7.645 -14.084 -9.254 1.00 0.00 C ATOM 442 C ARG A 30 6.307 -13.591 -8.713 1.00 0.00 C ATOM 443 O ARG A 30 6.167 -13.330 -7.518 1.00 0.00 O ATOM 444 CB ARG A 30 8.104 -15.313 -8.466 1.00 0.00 C ATOM 445 CG ARG A 30 9.220 -16.090 -9.145 1.00 0.00 C ATOM 446 CD ARG A 30 9.753 -17.197 -8.249 1.00 0.00 C ATOM 447 NE ARG A 30 10.770 -18.002 -8.920 1.00 0.00 N ATOM 448 CZ ARG A 30 11.286 -19.113 -8.405 1.00 0.00 C ATOM 449 NH1 ARG A 30 10.882 -19.548 -7.219 1.00 0.00 N ATOM 450 NH2 ARG A 30 12.208 -19.790 -9.076 1.00 0.00 N ATOM 0 H ARG A 30 9.170 -13.002 -8.305 1.00 0.00 H new ATOM 0 HA ARG A 30 7.515 -14.359 -10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.442 -14.996 -7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.252 -15.976 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.851 -16.520 -10.076 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.031 -15.410 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.176 -16.759 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.929 -17.839 -7.938 1.00 0.00 H new ATOM 0 HE ARG A 30 11.102 -17.695 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.174 -19.029 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.280 -20.401 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.522 -19.458 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.604 -20.643 -8.680 1.00 0.00 H new ATOM 464 N TRP A 31 5.327 -13.465 -9.601 1.00 0.00 N ATOM 465 CA TRP A 31 3.999 -13.002 -9.212 1.00 0.00 C ATOM 466 C TRP A 31 3.194 -14.130 -8.577 1.00 0.00 C ATOM 467 O TRP A 31 2.527 -13.934 -7.560 1.00 0.00 O ATOM 468 CB TRP A 31 3.254 -12.449 -10.428 1.00 0.00 C ATOM 469 CG TRP A 31 4.111 -11.594 -11.312 1.00 0.00 C ATOM 470 CD1 TRP A 31 4.259 -11.705 -12.665 1.00 0.00 C ATOM 471 CD2 TRP A 31 4.938 -10.499 -10.904 1.00 0.00 C ATOM 472 NE1 TRP A 31 5.129 -10.746 -13.123 1.00 0.00 N ATOM 473 CE2 TRP A 31 5.559 -9.992 -12.063 1.00 0.00 C ATOM 474 CE3 TRP A 31 5.213 -9.896 -9.674 1.00 0.00 C ATOM 475 CZ2 TRP A 31 6.438 -8.913 -12.024 1.00 0.00 C ATOM 476 CZ3 TRP A 31 6.086 -8.826 -9.638 1.00 0.00 C ATOM 477 CH2 TRP A 31 6.689 -8.342 -10.806 1.00 0.00 C ATOM 0 H TRP A 31 5.426 -13.677 -10.594 1.00 0.00 H new ATOM 0 HA TRP A 31 4.119 -12.208 -8.475 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.858 -13.280 -11.012 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.400 -11.864 -10.087 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.765 -12.439 -13.284 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.410 -10.616 -14.095 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.751 -10.260 -8.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.905 -8.540 -12.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.308 -8.354 -8.692 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.365 -7.502 -10.744 1.00 0.00 H new ATOM 488 N THR A 32 3.259 -15.312 -9.181 1.00 0.00 N ATOM 489 CA THR A 32 2.535 -16.471 -8.675 1.00 0.00 C ATOM 490 C THR A 32 2.824 -16.695 -7.195 1.00 0.00 C ATOM 491 O THR A 32 1.921 -16.995 -6.414 1.00 0.00 O ATOM 492 CB THR A 32 2.899 -17.747 -9.457 1.00 0.00 C ATOM 493 OG1 THR A 32 4.304 -18.002 -9.350 1.00 0.00 O ATOM 494 CG2 THR A 32 2.512 -17.612 -10.922 1.00 0.00 C ATOM 0 H THR A 32 3.807 -15.492 -10.023 1.00 0.00 H new ATOM 0 HA THR A 32 1.473 -16.264 -8.808 1.00 0.00 H new ATOM 0 HB THR A 32 2.345 -18.582 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.528 -18.816 -9.848 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.779 -18.525 -11.454 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.437 -17.447 -11.001 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.042 -16.767 -11.362 1.00 0.00 H new ATOM 502 N LYS A 33 4.088 -16.548 -6.815 1.00 0.00 N ATOM 503 CA LYS A 33 4.497 -16.732 -5.427 1.00 0.00 C ATOM 504 C LYS A 33 3.997 -15.585 -4.555 1.00 0.00 C ATOM 505 O LYS A 33 3.231 -15.797 -3.614 1.00 0.00 O ATOM 506 CB LYS A 33 6.022 -16.831 -5.332 1.00 0.00 C ATOM 507 CG LYS A 33 6.590 -18.089 -5.966 1.00 0.00 C ATOM 508 CD LYS A 33 6.410 -19.299 -5.064 1.00 0.00 C ATOM 509 CE LYS A 33 7.459 -19.334 -3.963 1.00 0.00 C ATOM 510 NZ LYS A 33 7.636 -20.704 -3.409 1.00 0.00 N ATOM 0 H LYS A 33 4.848 -16.302 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 33 4.055 -17.660 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.465 -15.959 -5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.315 -16.799 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.098 -18.270 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.650 -17.945 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.415 -19.278 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.474 -20.210 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.410 -18.976 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.168 -18.653 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.359 -20.686 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.735 -21.036 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.938 -21.349 -4.167 1.00 0.00 H new ATOM 524 N ILE A 34 4.432 -14.371 -4.875 1.00 0.00 N ATOM 525 CA ILE A 34 4.026 -13.192 -4.121 1.00 0.00 C ATOM 526 C ILE A 34 2.516 -13.168 -3.910 1.00 0.00 C ATOM 527 O ILE A 34 2.038 -13.105 -2.778 1.00 0.00 O ATOM 528 CB ILE A 34 4.454 -11.894 -4.832 1.00 0.00 C ATOM 529 CG1 ILE A 34 5.977 -11.840 -4.968 1.00 0.00 C ATOM 530 CG2 ILE A 34 3.941 -10.680 -4.073 1.00 0.00 C ATOM 531 CD1 ILE A 34 6.452 -10.949 -6.094 1.00 0.00 C ATOM 0 H ILE A 34 5.065 -14.178 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 34 4.525 -13.249 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 34 4.018 -11.884 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.405 -11.486 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.355 -12.849 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.252 -9.771 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.853 -10.715 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.350 -10.683 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.541 -10.959 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.053 -11.315 -7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.104 -9.930 -5.923 1.00 0.00 H new ATOM 543 N SER A 35 1.769 -13.220 -5.009 1.00 0.00 N ATOM 544 CA SER A 35 0.313 -13.203 -4.945 1.00 0.00 C ATOM 545 C SER A 35 -0.191 -14.074 -3.798 1.00 0.00 C ATOM 546 O SER A 35 -1.095 -13.686 -3.058 1.00 0.00 O ATOM 547 CB SER A 35 -0.283 -13.687 -6.268 1.00 0.00 C ATOM 548 OG SER A 35 -1.660 -13.991 -6.127 1.00 0.00 O ATOM 0 H SER A 35 2.149 -13.274 -5.954 1.00 0.00 H new ATOM 0 HA SER A 35 -0.006 -12.176 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.153 -12.920 -7.031 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.254 -14.571 -6.611 1.00 0.00 H new ATOM 0 HG SER A 35 -2.118 -13.240 -5.695 1.00 0.00 H new ATOM 554 N LYS A 36 0.400 -15.256 -3.658 1.00 0.00 N ATOM 555 CA LYS A 36 0.014 -16.184 -2.602 1.00 0.00 C ATOM 556 C LYS A 36 0.282 -15.584 -1.225 1.00 0.00 C ATOM 557 O LYS A 36 -0.562 -15.653 -0.331 1.00 0.00 O ATOM 558 CB LYS A 36 0.774 -17.504 -2.751 1.00 0.00 C ATOM 559 CG LYS A 36 0.556 -18.182 -4.093 1.00 0.00 C ATOM 560 CD LYS A 36 -0.633 -19.128 -4.052 1.00 0.00 C ATOM 561 CE LYS A 36 -0.572 -20.148 -5.178 1.00 0.00 C ATOM 562 NZ LYS A 36 -0.857 -19.530 -6.503 1.00 0.00 N ATOM 0 H LYS A 36 1.148 -15.594 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.055 -16.375 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.839 -17.318 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.466 -18.183 -1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.395 -17.426 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.453 -18.735 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.655 -19.645 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.558 -18.556 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.416 -20.609 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.292 -20.944 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.806 -20.258 -7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.809 -19.112 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.155 -18.788 -6.698 1.00 0.00 H new ATOM 576 N LEU A 37 1.461 -14.995 -1.061 1.00 0.00 N ATOM 577 CA LEU A 37 1.840 -14.381 0.207 1.00 0.00 C ATOM 578 C LEU A 37 0.746 -13.443 0.706 1.00 0.00 C ATOM 579 O LEU A 37 0.216 -13.621 1.803 1.00 0.00 O ATOM 580 CB LEU A 37 3.154 -13.613 0.052 1.00 0.00 C ATOM 581 CG LEU A 37 3.886 -13.265 1.349 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.569 -14.496 1.922 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.897 -12.154 1.109 1.00 0.00 C ATOM 0 H LEU A 37 2.171 -14.929 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 37 1.975 -15.175 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.825 -14.203 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.949 -12.687 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 37 3.153 -12.911 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.085 -14.230 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.822 -15.262 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.290 -14.881 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.408 -11.919 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.627 -12.480 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.381 -11.265 0.745 1.00 0.00 H new ATOM 595 N ILE A 38 0.412 -12.446 -0.106 1.00 0.00 N ATOM 596 CA ILE A 38 -0.622 -11.483 0.252 1.00 0.00 C ATOM 597 C ILE A 38 -1.990 -12.151 0.338 1.00 0.00 C ATOM 598 O ILE A 38 -2.725 -11.963 1.307 1.00 0.00 O ATOM 599 CB ILE A 38 -0.691 -10.327 -0.764 1.00 0.00 C ATOM 600 CG1 ILE A 38 0.656 -9.606 -0.840 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.798 -9.355 -0.385 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.767 -8.655 -2.012 1.00 0.00 C ATOM 0 H ILE A 38 0.842 -12.284 -1.016 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.354 -11.082 1.229 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.917 -10.739 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.814 -9.051 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.452 -10.347 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.835 -8.544 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.754 -9.878 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.600 -8.946 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.748 -8.179 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.641 -9.208 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.007 -7.892 -1.936 1.00 0.00 H new ATOM 614 N GLY A 39 -2.325 -12.935 -0.683 1.00 0.00 N ATOM 615 CA GLY A 39 -3.604 -13.621 -0.702 1.00 0.00 C ATOM 616 C GLY A 39 -4.741 -12.716 -1.132 1.00 0.00 C ATOM 617 O GLY A 39 -5.592 -13.113 -1.928 1.00 0.00 O ATOM 0 H GLY A 39 -1.734 -13.107 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.546 -14.473 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.815 -14.017 0.291 1.00 0.00 H new ATOM 621 N SER A 40 -4.758 -11.497 -0.603 1.00 0.00 N ATOM 622 CA SER A 40 -5.802 -10.534 -0.933 1.00 0.00 C ATOM 623 C SER A 40 -5.806 -10.227 -2.428 1.00 0.00 C ATOM 624 O SER A 40 -6.860 -10.197 -3.064 1.00 0.00 O ATOM 625 CB SER A 40 -5.606 -9.243 -0.136 1.00 0.00 C ATOM 626 OG SER A 40 -6.814 -8.508 -0.052 1.00 0.00 O ATOM 0 H SER A 40 -4.060 -11.153 0.056 1.00 0.00 H new ATOM 0 HA SER A 40 -6.764 -10.973 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.251 -9.481 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.837 -8.632 -0.610 1.00 0.00 H new ATOM 0 HG SER A 40 -6.663 -7.688 0.463 1.00 0.00 H new ATOM 632 N ARG A 41 -4.620 -10.000 -2.981 1.00 0.00 N ATOM 633 CA ARG A 41 -4.485 -9.694 -4.400 1.00 0.00 C ATOM 634 C ARG A 41 -4.280 -10.968 -5.214 1.00 0.00 C ATOM 635 O ARG A 41 -3.678 -11.932 -4.740 1.00 0.00 O ATOM 636 CB ARG A 41 -3.313 -8.737 -4.628 1.00 0.00 C ATOM 637 CG ARG A 41 -3.558 -7.336 -4.091 1.00 0.00 C ATOM 638 CD ARG A 41 -4.561 -6.579 -4.948 1.00 0.00 C ATOM 639 NE ARG A 41 -5.234 -5.522 -4.197 1.00 0.00 N ATOM 640 CZ ARG A 41 -6.385 -4.974 -4.570 1.00 0.00 C ATOM 641 NH1 ARG A 41 -6.989 -5.381 -5.678 1.00 0.00 N ATOM 642 NH2 ARG A 41 -6.935 -4.017 -3.834 1.00 0.00 N ATOM 0 H ARG A 41 -3.738 -10.022 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.406 -9.215 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.422 -9.148 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.107 -8.677 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.926 -7.397 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.617 -6.787 -4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.049 -6.144 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.303 -7.275 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.796 -5.186 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.570 -6.117 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.873 -4.958 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.474 -3.701 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.819 -3.597 -4.121 1.00 0.00 H new ATOM 656 N THR A 42 -4.786 -10.967 -6.444 1.00 0.00 N ATOM 657 CA THR A 42 -4.661 -12.122 -7.323 1.00 0.00 C ATOM 658 C THR A 42 -3.465 -11.975 -8.257 1.00 0.00 C ATOM 659 O THR A 42 -3.069 -10.862 -8.605 1.00 0.00 O ATOM 660 CB THR A 42 -5.933 -12.327 -8.166 1.00 0.00 C ATOM 661 OG1 THR A 42 -6.201 -11.154 -8.943 1.00 0.00 O ATOM 662 CG2 THR A 42 -7.128 -12.635 -7.277 1.00 0.00 C ATOM 0 H THR A 42 -5.286 -10.178 -6.853 1.00 0.00 H new ATOM 0 HA THR A 42 -4.514 -12.992 -6.683 1.00 0.00 H new ATOM 0 HB THR A 42 -5.767 -13.174 -8.832 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.016 -11.338 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.015 -12.776 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.934 -13.545 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.293 -11.806 -6.589 1.00 0.00 H new ATOM 670 N VAL A 43 -2.892 -13.105 -8.660 1.00 0.00 N ATOM 671 CA VAL A 43 -1.741 -13.102 -9.556 1.00 0.00 C ATOM 672 C VAL A 43 -1.871 -12.011 -10.613 1.00 0.00 C ATOM 673 O VAL A 43 -0.904 -11.313 -10.923 1.00 0.00 O ATOM 674 CB VAL A 43 -1.572 -14.463 -10.256 1.00 0.00 C ATOM 675 CG1 VAL A 43 -0.400 -14.422 -11.225 1.00 0.00 C ATOM 676 CG2 VAL A 43 -1.387 -15.570 -9.230 1.00 0.00 C ATOM 0 H VAL A 43 -3.206 -14.034 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.862 -12.906 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.477 -14.675 -10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.295 -15.392 -11.711 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.578 -13.656 -11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.515 -14.189 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.269 -16.525 -9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.499 -15.367 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.260 -15.613 -8.579 1.00 0.00 H new ATOM 686 N LEU A 44 -3.071 -11.869 -11.164 1.00 0.00 N ATOM 687 CA LEU A 44 -3.329 -10.861 -12.187 1.00 0.00 C ATOM 688 C LEU A 44 -3.158 -9.455 -11.622 1.00 0.00 C ATOM 689 O LEU A 44 -2.300 -8.696 -12.071 1.00 0.00 O ATOM 690 CB LEU A 44 -4.740 -11.029 -12.752 1.00 0.00 C ATOM 691 CG LEU A 44 -5.081 -12.412 -13.309 1.00 0.00 C ATOM 692 CD1 LEU A 44 -6.547 -12.481 -13.707 1.00 0.00 C ATOM 693 CD2 LEU A 44 -4.188 -12.743 -14.496 1.00 0.00 C ATOM 0 H LEU A 44 -3.881 -12.439 -10.920 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.605 -11.000 -12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.455 -10.790 -11.965 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.882 -10.295 -13.545 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.903 -13.151 -12.528 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.771 -13.472 -14.101 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.170 -12.288 -12.834 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.752 -11.732 -14.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.444 -13.730 -14.880 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.334 -12.000 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.145 -12.736 -14.180 1.00 0.00 H new ATOM 705 N GLN A 45 -3.980 -9.116 -10.634 1.00 0.00 N ATOM 706 CA GLN A 45 -3.919 -7.801 -10.007 1.00 0.00 C ATOM 707 C GLN A 45 -2.481 -7.430 -9.660 1.00 0.00 C ATOM 708 O GLN A 45 -2.051 -6.298 -9.879 1.00 0.00 O ATOM 709 CB GLN A 45 -4.784 -7.773 -8.746 1.00 0.00 C ATOM 710 CG GLN A 45 -6.238 -7.422 -9.013 1.00 0.00 C ATOM 711 CD GLN A 45 -6.998 -8.550 -9.682 1.00 0.00 C ATOM 712 OE1 GLN A 45 -6.642 -8.991 -10.776 1.00 0.00 O ATOM 713 NE2 GLN A 45 -8.052 -9.025 -9.028 1.00 0.00 N ATOM 0 H GLN A 45 -4.696 -9.733 -10.251 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.302 -7.069 -10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.737 -8.749 -8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.367 -7.049 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.725 -7.169 -8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.283 -6.534 -9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.312 -8.630 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.602 -9.784 -9.430 1.00 0.00 H new ATOM 722 N VAL A 46 -1.741 -8.392 -9.117 1.00 0.00 N ATOM 723 CA VAL A 46 -0.351 -8.167 -8.741 1.00 0.00 C ATOM 724 C VAL A 46 0.522 -7.940 -9.970 1.00 0.00 C ATOM 725 O VAL A 46 1.333 -7.015 -10.007 1.00 0.00 O ATOM 726 CB VAL A 46 0.212 -9.354 -7.936 1.00 0.00 C ATOM 727 CG1 VAL A 46 1.667 -9.108 -7.568 1.00 0.00 C ATOM 728 CG2 VAL A 46 -0.628 -9.600 -6.692 1.00 0.00 C ATOM 0 H VAL A 46 -2.082 -9.335 -8.928 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.333 -7.273 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 46 0.167 -10.247 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.047 -9.957 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.257 -8.986 -8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.742 -8.204 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.216 -10.442 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.617 -8.709 -6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.654 -9.825 -6.984 1.00 0.00 H new ATOM 738 N LYS A 47 0.350 -8.791 -10.976 1.00 0.00 N ATOM 739 CA LYS A 47 1.120 -8.684 -12.209 1.00 0.00 C ATOM 740 C LYS A 47 1.191 -7.236 -12.682 1.00 0.00 C ATOM 741 O LYS A 47 2.256 -6.748 -13.059 1.00 0.00 O ATOM 742 CB LYS A 47 0.498 -9.558 -13.300 1.00 0.00 C ATOM 743 CG LYS A 47 1.042 -10.976 -13.327 1.00 0.00 C ATOM 744 CD LYS A 47 0.637 -11.705 -14.598 1.00 0.00 C ATOM 745 CE LYS A 47 1.233 -13.103 -14.653 1.00 0.00 C ATOM 746 NZ LYS A 47 0.407 -14.027 -15.478 1.00 0.00 N ATOM 0 H LYS A 47 -0.317 -9.563 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 47 2.133 -9.032 -12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.581 -9.595 -13.153 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.672 -9.092 -14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.129 -10.951 -13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.675 -11.524 -12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.450 -11.769 -14.651 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.965 -11.134 -15.466 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.241 -13.052 -15.065 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.321 -13.500 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.847 -14.969 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.548 -14.096 -15.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.344 -13.662 -16.450 1.00 0.00 H new ATOM 760 N SER A 48 0.050 -6.554 -12.659 1.00 0.00 N ATOM 761 CA SER A 48 -0.017 -5.162 -13.088 1.00 0.00 C ATOM 762 C SER A 48 0.637 -4.244 -12.059 1.00 0.00 C ATOM 763 O SER A 48 1.679 -3.643 -12.320 1.00 0.00 O ATOM 764 CB SER A 48 -1.472 -4.743 -13.309 1.00 0.00 C ATOM 765 OG SER A 48 -2.100 -5.572 -14.271 1.00 0.00 O ATOM 0 H SER A 48 -0.840 -6.943 -12.348 1.00 0.00 H new ATOM 0 HA SER A 48 0.527 -5.071 -14.028 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.017 -4.797 -12.366 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.509 -3.705 -13.639 1.00 0.00 H new ATOM 0 HG SER A 48 -3.029 -5.285 -14.393 1.00 0.00 H new ATOM 771 N TYR A 49 0.017 -4.141 -10.889 1.00 0.00 N ATOM 772 CA TYR A 49 0.536 -3.296 -9.820 1.00 0.00 C ATOM 773 C TYR A 49 2.061 -3.327 -9.793 1.00 0.00 C ATOM 774 O TYR A 49 2.713 -2.288 -9.697 1.00 0.00 O ATOM 775 CB TYR A 49 -0.019 -3.747 -8.468 1.00 0.00 C ATOM 776 CG TYR A 49 0.758 -3.215 -7.286 1.00 0.00 C ATOM 777 CD1 TYR A 49 1.912 -3.851 -6.844 1.00 0.00 C ATOM 778 CD2 TYR A 49 0.340 -2.074 -6.611 1.00 0.00 C ATOM 779 CE1 TYR A 49 2.625 -3.368 -5.764 1.00 0.00 C ATOM 780 CE2 TYR A 49 1.047 -1.584 -5.531 1.00 0.00 C ATOM 781 CZ TYR A 49 2.189 -2.234 -5.111 1.00 0.00 C ATOM 782 OH TYR A 49 2.897 -1.749 -4.035 1.00 0.00 O ATOM 0 H TYR A 49 -0.846 -4.632 -10.657 1.00 0.00 H new ATOM 0 HA TYR A 49 0.215 -2.272 -10.013 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.057 -3.424 -8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.020 -4.836 -8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.257 -4.738 -7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.553 -1.562 -6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.519 -3.875 -5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.708 -0.696 -5.018 1.00 0.00 H new ATOM 0 HH TYR A 49 3.063 -0.791 -4.158 1.00 0.00 H new ATOM 792 N ALA A 50 2.623 -4.529 -9.878 1.00 0.00 N ATOM 793 CA ALA A 50 4.071 -4.698 -9.866 1.00 0.00 C ATOM 794 C ALA A 50 4.761 -3.577 -10.636 1.00 0.00 C ATOM 795 O ALA A 50 5.720 -2.977 -10.152 1.00 0.00 O ATOM 796 CB ALA A 50 4.449 -6.052 -10.447 1.00 0.00 C ATOM 0 H ALA A 50 2.097 -5.400 -9.956 1.00 0.00 H new ATOM 0 HA ALA A 50 4.409 -4.653 -8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.533 -6.165 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.994 -6.843 -9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.092 -6.120 -11.475 1.00 0.00 H new ATOM 802 N ARG A 51 4.267 -3.301 -11.839 1.00 0.00 N ATOM 803 CA ARG A 51 4.838 -2.254 -12.677 1.00 0.00 C ATOM 804 C ARG A 51 4.354 -0.877 -12.232 1.00 0.00 C ATOM 805 O ARG A 51 5.057 0.120 -12.392 1.00 0.00 O ATOM 806 CB ARG A 51 4.468 -2.487 -14.143 1.00 0.00 C ATOM 807 CG ARG A 51 3.017 -2.171 -14.463 1.00 0.00 C ATOM 808 CD ARG A 51 2.850 -1.716 -15.905 1.00 0.00 C ATOM 809 NE ARG A 51 2.606 -2.837 -16.808 1.00 0.00 N ATOM 810 CZ ARG A 51 2.823 -2.786 -18.118 1.00 0.00 C ATOM 811 NH1 ARG A 51 3.285 -1.675 -18.674 1.00 0.00 N ATOM 812 NH2 ARG A 51 2.577 -3.848 -18.874 1.00 0.00 N ATOM 0 H ARG A 51 3.473 -3.788 -12.255 1.00 0.00 H new ATOM 0 HA ARG A 51 5.922 -2.290 -12.572 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.112 -1.874 -14.773 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.669 -3.527 -14.399 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.404 -3.054 -14.286 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.656 -1.393 -13.791 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.020 -1.012 -15.969 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.746 -1.183 -16.223 1.00 0.00 H new ATOM 0 HE ARG A 51 2.250 -3.707 -16.412 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.475 -0.856 -18.096 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.451 -1.639 -19.680 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.221 -4.705 -18.450 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.744 -3.808 -19.879 1.00 0.00 H new ATOM 826 N GLN A 52 3.148 -0.831 -11.675 1.00 0.00 N ATOM 827 CA GLN A 52 2.570 0.424 -11.209 1.00 0.00 C ATOM 828 C GLN A 52 3.377 0.997 -10.048 1.00 0.00 C ATOM 829 O GLN A 52 3.536 2.212 -9.930 1.00 0.00 O ATOM 830 CB GLN A 52 1.117 0.212 -10.779 1.00 0.00 C ATOM 831 CG GLN A 52 0.249 1.450 -10.938 1.00 0.00 C ATOM 832 CD GLN A 52 -0.896 1.491 -9.944 1.00 0.00 C ATOM 833 OE1 GLN A 52 -0.897 2.299 -9.015 1.00 0.00 O ATOM 834 NE2 GLN A 52 -1.878 0.618 -10.136 1.00 0.00 N ATOM 0 H GLN A 52 2.553 -1.647 -11.536 1.00 0.00 H new ATOM 0 HA GLN A 52 2.598 1.136 -12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.688 -0.600 -11.366 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.098 -0.104 -9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.866 2.340 -10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.153 1.480 -11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.835 -0.033 -10.920 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.675 0.599 -9.500 1.00 0.00 H new ATOM 843 N TYR A 53 3.885 0.115 -9.195 1.00 0.00 N ATOM 844 CA TYR A 53 4.673 0.534 -8.042 1.00 0.00 C ATOM 845 C TYR A 53 5.939 1.261 -8.483 1.00 0.00 C ATOM 846 O TYR A 53 6.109 2.452 -8.220 1.00 0.00 O ATOM 847 CB TYR A 53 5.041 -0.677 -7.182 1.00 0.00 C ATOM 848 CG TYR A 53 5.871 -0.328 -5.968 1.00 0.00 C ATOM 849 CD1 TYR A 53 5.490 0.700 -5.114 1.00 0.00 C ATOM 850 CD2 TYR A 53 7.037 -1.025 -5.675 1.00 0.00 C ATOM 851 CE1 TYR A 53 6.246 1.024 -4.004 1.00 0.00 C ATOM 852 CE2 TYR A 53 7.798 -0.709 -4.566 1.00 0.00 C ATOM 853 CZ TYR A 53 7.398 0.316 -3.734 1.00 0.00 C ATOM 854 OH TYR A 53 8.154 0.634 -2.629 1.00 0.00 O ATOM 0 H TYR A 53 3.765 -0.894 -9.280 1.00 0.00 H new ATOM 0 HA TYR A 53 4.068 1.221 -7.451 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.126 -1.172 -6.856 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.590 -1.393 -7.794 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.587 1.255 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.354 -1.827 -6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.937 1.827 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.701 -1.261 -4.352 1.00 0.00 H new ATOM 0 HH TYR A 53 9.008 0.154 -2.667 1.00 0.00 H new ATOM 864 N PHE A 54 6.826 0.536 -9.158 1.00 0.00 N ATOM 865 CA PHE A 54 8.078 1.111 -9.637 1.00 0.00 C ATOM 866 C PHE A 54 7.866 2.538 -10.133 1.00 0.00 C ATOM 867 O PHE A 54 8.783 3.359 -10.108 1.00 0.00 O ATOM 868 CB PHE A 54 8.663 0.250 -10.758 1.00 0.00 C ATOM 869 CG PHE A 54 9.097 -1.113 -10.303 1.00 0.00 C ATOM 870 CD1 PHE A 54 10.130 -1.257 -9.389 1.00 0.00 C ATOM 871 CD2 PHE A 54 8.474 -2.252 -10.788 1.00 0.00 C ATOM 872 CE1 PHE A 54 10.532 -2.510 -8.968 1.00 0.00 C ATOM 873 CE2 PHE A 54 8.872 -3.508 -10.370 1.00 0.00 C ATOM 874 CZ PHE A 54 9.903 -3.637 -9.460 1.00 0.00 C ATOM 0 H PHE A 54 6.701 -0.450 -9.385 1.00 0.00 H new ATOM 0 HA PHE A 54 8.780 1.136 -8.804 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.919 0.141 -11.547 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.517 0.768 -11.195 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.626 -0.379 -9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.668 -2.157 -11.501 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.337 -2.608 -8.255 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.377 -4.388 -10.755 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.217 -4.618 -9.134 1.00 0.00 H new ATOM 884 N LYS A 55 6.651 2.827 -10.586 1.00 0.00 N ATOM 885 CA LYS A 55 6.316 4.154 -11.088 1.00 0.00 C ATOM 886 C LYS A 55 5.984 5.102 -9.941 1.00 0.00 C ATOM 887 O LYS A 55 6.574 6.175 -9.819 1.00 0.00 O ATOM 888 CB LYS A 55 5.132 4.072 -12.055 1.00 0.00 C ATOM 889 CG LYS A 55 4.577 5.428 -12.453 1.00 0.00 C ATOM 890 CD LYS A 55 3.089 5.356 -12.754 1.00 0.00 C ATOM 891 CE LYS A 55 2.390 6.666 -12.425 1.00 0.00 C ATOM 892 NZ LYS A 55 2.372 7.593 -13.590 1.00 0.00 N ATOM 0 H LYS A 55 5.881 2.159 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 55 7.185 4.544 -11.618 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.443 3.538 -12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.338 3.485 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.752 6.144 -11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.109 5.797 -13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.941 5.118 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.639 4.547 -12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.367 6.462 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.895 7.146 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.887 8.474 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.348 7.808 -13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.868 7.145 -14.382 1.00 0.00 H new ATOM 906 N ASN A 56 5.037 4.699 -9.100 1.00 0.00 N ATOM 907 CA ASN A 56 4.627 5.513 -7.962 1.00 0.00 C ATOM 908 C ASN A 56 5.809 5.787 -7.037 1.00 0.00 C ATOM 909 O ASN A 56 5.877 6.834 -6.391 1.00 0.00 O ATOM 910 CB ASN A 56 3.509 4.815 -7.185 1.00 0.00 C ATOM 911 CG ASN A 56 2.629 5.795 -6.432 1.00 0.00 C ATOM 912 OD1 ASN A 56 3.032 6.348 -5.409 1.00 0.00 O ATOM 913 ND2 ASN A 56 1.421 6.015 -6.937 1.00 0.00 N ATOM 0 H ASN A 56 4.539 3.813 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 56 4.256 6.465 -8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.896 4.237 -7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.947 4.108 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.785 6.665 -6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.129 5.534 -7.788 1.00 0.00 H new ATOM 920 N LYS A 57 6.739 4.841 -6.977 1.00 0.00 N ATOM 921 CA LYS A 57 7.920 4.980 -6.134 1.00 0.00 C ATOM 922 C LYS A 57 8.459 6.406 -6.181 1.00 0.00 C ATOM 923 O LYS A 57 8.159 7.163 -7.105 1.00 0.00 O ATOM 924 CB LYS A 57 9.007 3.998 -6.577 1.00 0.00 C ATOM 925 CG LYS A 57 8.639 2.541 -6.353 1.00 0.00 C ATOM 926 CD LYS A 57 9.875 1.664 -6.248 1.00 0.00 C ATOM 927 CE LYS A 57 10.369 1.566 -4.813 1.00 0.00 C ATOM 928 NZ LYS A 57 11.270 2.697 -4.458 1.00 0.00 N ATOM 0 H LYS A 57 6.698 3.968 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 57 7.631 4.754 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.215 4.153 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.927 4.219 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.049 2.450 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.013 2.192 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.648 0.667 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.665 2.070 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.516 1.555 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.898 0.623 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.914 2.402 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.825 2.974 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.701 3.506 -4.137 1.00 0.00 H new ATOM 942 N VAL A 58 9.256 6.767 -5.181 1.00 0.00 N ATOM 943 CA VAL A 58 9.839 8.101 -5.111 1.00 0.00 C ATOM 944 C VAL A 58 8.755 9.171 -5.035 1.00 0.00 C ATOM 945 O VAL A 58 8.809 10.178 -5.740 1.00 0.00 O ATOM 946 CB VAL A 58 10.740 8.385 -6.327 1.00 0.00 C ATOM 947 CG1 VAL A 58 11.554 9.651 -6.105 1.00 0.00 C ATOM 948 CG2 VAL A 58 11.649 7.198 -6.605 1.00 0.00 C ATOM 0 H VAL A 58 9.513 6.154 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 58 10.444 8.135 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 58 10.105 8.539 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.185 9.835 -6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.881 10.496 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.181 9.530 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.279 7.416 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.278 7.010 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.043 6.316 -6.812 1.00 0.00 H new ATOM 958 N LYS A 59 7.769 8.945 -4.172 1.00 0.00 N ATOM 959 CA LYS A 59 6.671 9.890 -4.001 1.00 0.00 C ATOM 960 C LYS A 59 7.177 11.216 -3.443 1.00 0.00 C ATOM 961 O LYS A 59 7.858 11.250 -2.417 1.00 0.00 O ATOM 962 CB LYS A 59 5.609 9.304 -3.068 1.00 0.00 C ATOM 963 CG LYS A 59 6.073 9.166 -1.628 1.00 0.00 C ATOM 964 CD LYS A 59 4.995 8.549 -0.752 1.00 0.00 C ATOM 965 CE LYS A 59 5.564 8.062 0.572 1.00 0.00 C ATOM 966 NZ LYS A 59 6.256 6.751 0.429 1.00 0.00 N ATOM 0 H LYS A 59 7.708 8.116 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 59 6.226 10.074 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.723 9.938 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.311 8.324 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.971 8.549 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.344 10.146 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.212 9.284 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.530 7.715 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.264 8.802 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.759 7.970 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.630 6.453 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.582 6.039 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.040 6.844 -0.248 1.00 0.00 H new ATOM 980 N CYS A 60 6.839 12.306 -4.123 1.00 0.00 N ATOM 981 CA CYS A 60 7.259 13.636 -3.695 1.00 0.00 C ATOM 982 C CYS A 60 8.779 13.752 -3.693 1.00 0.00 C ATOM 983 O CYS A 60 9.369 14.302 -2.764 1.00 0.00 O ATOM 984 CB CYS A 60 6.710 13.941 -2.300 1.00 0.00 C ATOM 985 SG CYS A 60 5.037 14.627 -2.299 1.00 0.00 S ATOM 0 H CYS A 60 6.275 12.295 -4.973 1.00 0.00 H new ATOM 0 HA CYS A 60 6.859 14.362 -4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.716 13.024 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.379 14.643 -1.803 1.00 0.00 H new ATOM 0 HG CYS A 60 4.660 14.849 -1.075 1.00 0.00 H new ATOM 991 N GLY A 61 9.409 13.228 -4.740 1.00 0.00 N ATOM 992 CA GLY A 61 10.856 13.281 -4.839 1.00 0.00 C ATOM 993 C GLY A 61 11.383 14.702 -4.871 1.00 0.00 C ATOM 994 O GLY A 61 11.986 15.170 -3.904 1.00 0.00 O ATOM 0 H GLY A 61 8.943 12.768 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.295 12.753 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.175 12.758 -5.741 1.00 0.00 H new ATOM 998 N LEU A 62 11.157 15.390 -5.984 1.00 0.00 N ATOM 999 CA LEU A 62 11.614 16.767 -6.139 1.00 0.00 C ATOM 1000 C LEU A 62 10.483 17.751 -5.860 1.00 0.00 C ATOM 1001 O LEU A 62 10.584 18.590 -4.964 1.00 0.00 O ATOM 1002 CB LEU A 62 12.161 16.987 -7.551 1.00 0.00 C ATOM 1003 CG LEU A 62 13.626 16.609 -7.770 1.00 0.00 C ATOM 1004 CD1 LEU A 62 13.773 15.103 -7.916 1.00 0.00 C ATOM 1005 CD2 LEU A 62 14.184 17.323 -8.993 1.00 0.00 C ATOM 0 H LEU A 62 10.660 15.017 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 62 12.410 16.944 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.551 16.414 -8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.036 18.039 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 62 14.197 16.926 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.823 14.853 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.413 14.613 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.189 14.762 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.228 17.042 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.610 17.038 -9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.115 18.401 -8.848 1.00 0.00 H new ATOM 1017 N ASP A 63 9.407 17.642 -6.630 1.00 0.00 N ATOM 1018 CA ASP A 63 8.255 18.521 -6.464 1.00 0.00 C ATOM 1019 C ASP A 63 7.721 18.451 -5.037 1.00 0.00 C ATOM 1020 O ASP A 63 7.241 17.408 -4.591 1.00 0.00 O ATOM 1021 CB ASP A 63 7.152 18.143 -7.454 1.00 0.00 C ATOM 1022 CG ASP A 63 6.293 19.330 -7.844 1.00 0.00 C ATOM 1023 OD1 ASP A 63 6.311 20.342 -7.111 1.00 0.00 O ATOM 1024 OD2 ASP A 63 5.604 19.248 -8.882 1.00 0.00 O ATOM 0 H ASP A 63 9.308 16.953 -7.376 1.00 0.00 H new ATOM 0 HA ASP A 63 8.576 19.543 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.602 17.714 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.521 17.371 -7.014 1.00 0.00 H new ATOM 1029 N LYS A 64 7.807 19.569 -4.323 1.00 0.00 N ATOM 1030 CA LYS A 64 7.333 19.637 -2.946 1.00 0.00 C ATOM 1031 C LYS A 64 6.101 20.530 -2.839 1.00 0.00 C ATOM 1032 O LYS A 64 6.011 21.373 -1.947 1.00 0.00 O ATOM 1033 CB LYS A 64 8.439 20.163 -2.029 1.00 0.00 C ATOM 1034 CG LYS A 64 9.603 19.201 -1.866 1.00 0.00 C ATOM 1035 CD LYS A 64 10.631 19.732 -0.881 1.00 0.00 C ATOM 1036 CE LYS A 64 10.313 19.302 0.543 1.00 0.00 C ATOM 1037 NZ LYS A 64 10.712 17.890 0.798 1.00 0.00 N ATOM 0 H LYS A 64 8.201 20.441 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 64 7.059 18.630 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.812 21.107 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.015 20.377 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.233 18.235 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.077 19.034 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.622 19.372 -1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.660 20.820 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.829 19.958 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.245 19.416 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.479 17.635 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.201 17.262 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.736 17.786 0.647 1.00 0.00 H new ATOM 1051 N GLU A 65 5.153 20.336 -3.751 1.00 0.00 N ATOM 1052 CA GLU A 65 3.927 21.125 -3.757 1.00 0.00 C ATOM 1053 C GLU A 65 2.703 20.228 -3.593 1.00 0.00 C ATOM 1054 O GLU A 65 2.560 19.220 -4.286 1.00 0.00 O ATOM 1055 CB GLU A 65 3.815 21.926 -5.056 1.00 0.00 C ATOM 1056 CG GLU A 65 3.401 21.089 -6.254 1.00 0.00 C ATOM 1057 CD GLU A 65 3.239 21.915 -7.515 1.00 0.00 C ATOM 1058 OE1 GLU A 65 4.264 22.206 -8.168 1.00 0.00 O ATOM 1059 OE2 GLU A 65 2.090 22.271 -7.849 1.00 0.00 O ATOM 0 H GLU A 65 5.211 19.640 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 65 3.966 21.816 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.091 22.729 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.775 22.396 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.147 20.313 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.461 20.584 -6.032 1.00 0.00 H new ATOM 1066 N THR A 66 1.822 20.602 -2.671 1.00 0.00 N ATOM 1067 CA THR A 66 0.611 19.832 -2.413 1.00 0.00 C ATOM 1068 C THR A 66 -0.502 20.722 -1.873 1.00 0.00 C ATOM 1069 O THR A 66 -0.264 21.667 -1.120 1.00 0.00 O ATOM 1070 CB THR A 66 0.873 18.691 -1.412 1.00 0.00 C ATOM 1071 OG1 THR A 66 1.449 19.216 -0.211 1.00 0.00 O ATOM 1072 CG2 THR A 66 1.803 17.647 -2.012 1.00 0.00 C ATOM 0 H THR A 66 1.924 21.434 -2.090 1.00 0.00 H new ATOM 0 HA THR A 66 0.300 19.404 -3.366 1.00 0.00 H new ATOM 0 HB THR A 66 -0.080 18.215 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.611 18.485 0.421 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.973 16.851 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.349 17.228 -2.910 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.754 18.112 -2.270 1.00 0.00 H new ATOM 1080 N PRO A 67 -1.748 20.416 -2.264 1.00 0.00 N ATOM 1081 CA PRO A 67 -2.923 21.176 -1.828 1.00 0.00 C ATOM 1082 C PRO A 67 -3.232 20.970 -0.349 1.00 0.00 C ATOM 1083 O PRO A 67 -3.610 19.877 0.069 1.00 0.00 O ATOM 1084 CB PRO A 67 -4.052 20.610 -2.694 1.00 0.00 C ATOM 1085 CG PRO A 67 -3.603 19.235 -3.049 1.00 0.00 C ATOM 1086 CD PRO A 67 -2.105 19.303 -3.160 1.00 0.00 C ATOM 0 HA PRO A 67 -2.778 22.250 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.996 20.590 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.210 21.217 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.905 18.517 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.049 18.909 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.636 18.370 -2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.786 19.494 -4.185 1.00 0.00 H new ATOM 1094 N ASN A 68 -3.067 22.029 0.437 1.00 0.00 N ATOM 1095 CA ASN A 68 -3.328 21.964 1.871 1.00 0.00 C ATOM 1096 C ASN A 68 -4.708 22.526 2.199 1.00 0.00 C ATOM 1097 O ASN A 68 -4.987 23.697 1.945 1.00 0.00 O ATOM 1098 CB ASN A 68 -2.254 22.735 2.641 1.00 0.00 C ATOM 1099 CG ASN A 68 -2.434 24.237 2.535 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -2.754 24.762 1.468 1.00 0.00 O ATOM 1101 ND2 ASN A 68 -2.227 24.937 3.645 1.00 0.00 N ATOM 0 H ASN A 68 -2.754 22.942 0.106 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.301 20.917 2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.282 22.441 3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.270 22.462 2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.332 25.952 3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.963 24.460 4.507 1.00 0.00 H new ATOM 1108 N GLN A 69 -5.565 21.682 2.764 1.00 0.00 N ATOM 1109 CA GLN A 69 -6.916 22.095 3.126 1.00 0.00 C ATOM 1110 C GLN A 69 -7.219 21.750 4.580 1.00 0.00 C ATOM 1111 O GLN A 69 -6.472 21.013 5.224 1.00 0.00 O ATOM 1112 CB GLN A 69 -7.940 21.427 2.207 1.00 0.00 C ATOM 1113 CG GLN A 69 -7.781 21.805 0.743 1.00 0.00 C ATOM 1114 CD GLN A 69 -9.040 21.556 -0.064 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -9.085 20.657 -0.904 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -10.072 22.353 0.188 1.00 0.00 N ATOM 0 H GLN A 69 -5.348 20.709 2.981 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.982 23.176 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.853 20.345 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.943 21.698 2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.510 22.858 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.959 21.234 0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.990 23.086 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.946 22.233 -0.324 1.00 0.00 H new ATOM 1125 N LYS A 70 -8.320 22.289 5.094 1.00 0.00 N ATOM 1126 CA LYS A 70 -8.724 22.038 6.472 1.00 0.00 C ATOM 1127 C LYS A 70 -10.064 21.311 6.523 1.00 0.00 C ATOM 1128 O LYS A 70 -11.005 21.672 5.817 1.00 0.00 O ATOM 1129 CB LYS A 70 -8.817 23.355 7.246 1.00 0.00 C ATOM 1130 CG LYS A 70 -10.009 24.210 6.851 1.00 0.00 C ATOM 1131 CD LYS A 70 -10.111 25.457 7.713 1.00 0.00 C ATOM 1132 CE LYS A 70 -11.434 26.176 7.498 1.00 0.00 C ATOM 1133 NZ LYS A 70 -11.503 26.822 6.158 1.00 0.00 N ATOM 0 H LYS A 70 -8.949 22.903 4.576 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.969 21.403 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.875 23.137 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.902 23.926 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.921 24.497 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.924 23.626 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.011 25.184 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.287 26.131 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.254 25.466 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.567 26.931 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.420 27.301 6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.736 27.518 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.402 26.098 5.418 1.00 0.00 H new ATOM 1147 N THR A 71 -10.143 20.284 7.365 1.00 0.00 N ATOM 1148 CA THR A 71 -11.367 19.507 7.508 1.00 0.00 C ATOM 1149 C THR A 71 -12.545 20.399 7.881 1.00 0.00 C ATOM 1150 O THR A 71 -13.644 20.250 7.347 1.00 0.00 O ATOM 1151 CB THR A 71 -11.213 18.407 8.575 1.00 0.00 C ATOM 1152 OG1 THR A 71 -12.423 17.648 8.676 1.00 0.00 O ATOM 1153 CG2 THR A 71 -10.873 19.012 9.930 1.00 0.00 C ATOM 0 H THR A 71 -9.374 19.972 7.957 1.00 0.00 H new ATOM 0 HA THR A 71 -11.560 19.041 6.541 1.00 0.00 H new ATOM 0 HB THR A 71 -10.398 17.750 8.272 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.316 16.950 9.355 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.769 18.217 10.668 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.936 19.564 9.857 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.670 19.689 10.236 1.00 0.00 H new ATOM 1161 N GLY A 72 -12.309 21.330 8.801 1.00 0.00 N ATOM 1162 CA GLY A 72 -13.360 22.234 9.230 1.00 0.00 C ATOM 1163 C GLY A 72 -14.356 21.566 10.157 1.00 0.00 C ATOM 1164 O GLY A 72 -13.970 20.911 11.125 1.00 0.00 O ATOM 0 H GLY A 72 -11.408 21.474 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.914 23.090 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.884 22.619 8.355 1.00 0.00 H new TER 1168 GLY A 72