USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= -3.07! C(o=-3.1!,f=-4.1!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -147:sc= -4.84 (180deg=-9.02!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3!) USER MOD Single : A 13 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-8.3!) USER MOD Single : A 14 CYS SG : rot -128:sc= -1.28 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc=-0.00474 K(o=-0.0047,f=-0.54) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.322) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -50:sc= -4.76! USER MOD Single : A 56 GLN : amide:sc= -0.742 K(o=-0.74,f=-0.12) USER MOD Single : A 59 ASN : amide:sc= -0.407 K(o=-0.41,f=-5.5!) USER MOD Single : A 63 TYR OH : rot 80:sc= -0.099 USER MOD Single : A 64 GLN : amide:sc= -0.0417 X(o=-0.042,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.173 -4.093 -4.297 1.00 0.00 N ATOM 12 CA GLN A 2 -7.733 -3.223 -3.278 1.00 0.00 C ATOM 13 C GLN A 2 -6.965 -1.901 -3.227 1.00 0.00 C ATOM 14 O GLN A 2 -5.831 -1.819 -3.696 1.00 0.00 O ATOM 15 CB GLN A 2 -7.733 -3.909 -1.910 1.00 0.00 C ATOM 16 CG GLN A 2 -9.146 -4.339 -1.512 1.00 0.00 C ATOM 17 CD GLN A 2 -10.019 -3.124 -1.190 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.049 -2.627 -0.077 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.724 -2.676 -2.225 1.00 0.00 N ATOM 0 HA GLN A 2 -8.769 -3.009 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.078 -4.780 -1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.331 -3.230 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.598 -4.911 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.099 -4.997 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.652 -3.140 -3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.337 -1.868 -2.113 1.00 0.00 H new ATOM 28 N GLU A 3 -7.614 -0.897 -2.655 1.00 0.00 N ATOM 29 CA GLU A 3 -7.006 0.417 -2.538 1.00 0.00 C ATOM 30 C GLU A 3 -7.209 0.971 -1.126 1.00 0.00 C ATOM 31 O GLU A 3 -8.163 0.604 -0.442 1.00 0.00 O ATOM 32 CB GLU A 3 -7.568 1.377 -3.589 1.00 0.00 C ATOM 33 CG GLU A 3 -9.094 1.448 -3.507 1.00 0.00 C ATOM 34 CD GLU A 3 -9.706 1.699 -4.886 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.863 2.891 -5.229 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.003 0.694 -5.567 1.00 0.00 O ATOM 0 H GLU A 3 -8.555 -0.968 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.936 0.318 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.146 2.371 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.269 1.048 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.483 0.516 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.388 2.245 -2.824 1.00 0.00 H new ATOM 43 N PHE A 4 -6.295 1.846 -0.732 1.00 0.00 N ATOM 44 CA PHE A 4 -6.361 2.455 0.586 1.00 0.00 C ATOM 45 C PHE A 4 -6.283 3.980 0.491 1.00 0.00 C ATOM 46 O PHE A 4 -5.387 4.520 -0.155 1.00 0.00 O ATOM 47 CB PHE A 4 -5.155 1.943 1.376 1.00 0.00 C ATOM 48 CG PHE A 4 -4.618 0.596 0.889 1.00 0.00 C ATOM 49 CD1 PHE A 4 -3.900 0.527 -0.264 1.00 0.00 C ATOM 50 CD2 PHE A 4 -4.859 -0.533 1.608 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.401 -0.724 -0.717 1.00 0.00 C ATOM 52 CE2 PHE A 4 -4.360 -1.783 1.156 1.00 0.00 C ATOM 53 CZ PHE A 4 -3.642 -1.852 0.003 1.00 0.00 C ATOM 0 H PHE A 4 -5.505 2.148 -1.302 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.304 2.196 1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.356 2.683 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.433 1.853 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.709 1.423 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.430 -0.479 2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.831 -0.779 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.551 -2.679 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.263 -2.803 -0.341 1.00 0.00 H new ATOM 63 N SER A 5 -7.235 4.631 1.143 1.00 0.00 N ATOM 64 CA SER A 5 -7.286 6.083 1.140 1.00 0.00 C ATOM 65 C SER A 5 -6.380 6.641 2.240 1.00 0.00 C ATOM 66 O SER A 5 -6.469 6.223 3.393 1.00 0.00 O ATOM 67 CB SER A 5 -8.719 6.585 1.327 1.00 0.00 C ATOM 68 OG SER A 5 -8.758 7.881 1.917 1.00 0.00 O ATOM 0 H SER A 5 -7.977 4.179 1.677 1.00 0.00 H new ATOM 0 HA SER A 5 -6.930 6.435 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.223 6.611 0.361 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.270 5.884 1.955 1.00 0.00 H new ATOM 0 HG SER A 5 -9.690 8.166 2.018 1.00 0.00 H new ATOM 74 N VAL A 6 -5.529 7.576 1.844 1.00 0.00 N ATOM 75 CA VAL A 6 -4.608 8.195 2.782 1.00 0.00 C ATOM 76 C VAL A 6 -5.106 9.600 3.127 1.00 0.00 C ATOM 77 O VAL A 6 -5.546 10.340 2.248 1.00 0.00 O ATOM 78 CB VAL A 6 -3.191 8.188 2.206 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.187 8.752 3.213 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.788 6.781 1.759 1.00 0.00 C ATOM 0 H VAL A 6 -5.458 7.920 0.886 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.570 7.626 3.711 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.183 8.834 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.188 8.736 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.458 9.778 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.199 8.145 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.777 6.804 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.821 6.104 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.479 6.431 0.992 1.00 0.00 H new ATOM 90 N LYS A 7 -5.020 9.926 4.408 1.00 0.00 N ATOM 91 CA LYS A 7 -5.456 11.229 4.880 1.00 0.00 C ATOM 92 C LYS A 7 -4.466 11.746 5.926 1.00 0.00 C ATOM 93 O LYS A 7 -4.870 12.262 6.967 1.00 0.00 O ATOM 94 CB LYS A 7 -6.900 11.162 5.380 1.00 0.00 C ATOM 95 CG LYS A 7 -7.869 10.900 4.225 1.00 0.00 C ATOM 96 CD LYS A 7 -9.206 11.606 4.460 1.00 0.00 C ATOM 97 CE LYS A 7 -10.374 10.628 4.317 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.572 11.146 5.015 1.00 0.00 N ATOM 0 H LYS A 7 -4.655 9.310 5.134 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.460 11.949 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.994 10.372 6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.161 12.098 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.429 11.248 3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.034 9.828 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.218 12.049 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.321 12.422 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.599 10.473 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.096 9.658 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.355 10.470 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.358 11.271 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.845 12.061 4.603 1.00 0.00 H new ATOM 112 N GLY A 8 -3.188 11.589 5.613 1.00 0.00 N ATOM 113 CA GLY A 8 -2.137 12.033 6.514 1.00 0.00 C ATOM 114 C GLY A 8 -0.789 12.094 5.794 1.00 0.00 C ATOM 115 O GLY A 8 0.261 11.986 6.426 1.00 0.00 O ATOM 0 H GLY A 8 -2.856 11.161 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.386 13.017 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.070 11.353 7.363 1.00 0.00 H new ATOM 119 N MET A 9 -0.861 12.267 4.482 1.00 0.00 N ATOM 120 CA MET A 9 0.341 12.344 3.670 1.00 0.00 C ATOM 121 C MET A 9 1.031 13.699 3.840 1.00 0.00 C ATOM 122 O MET A 9 0.369 14.717 4.036 1.00 0.00 O ATOM 123 CB MET A 9 -0.022 12.137 2.199 1.00 0.00 C ATOM 124 CG MET A 9 0.768 10.973 1.598 1.00 0.00 C ATOM 125 SD MET A 9 1.080 11.276 -0.134 1.00 0.00 S ATOM 126 CE MET A 9 2.774 11.831 -0.051 1.00 0.00 C ATOM 0 H MET A 9 -1.734 12.356 3.961 1.00 0.00 H new ATOM 0 HA MET A 9 1.028 11.564 3.997 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.090 11.941 2.108 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.184 13.049 1.638 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.711 10.850 2.130 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.211 10.044 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.952 12.573 -0.829 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.964 12.276 0.926 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.442 10.983 -0.199 1.00 0.00 H new ATOM 136 N SER A 10 2.353 13.669 3.757 1.00 0.00 N ATOM 137 CA SER A 10 3.141 14.882 3.899 1.00 0.00 C ATOM 138 C SER A 10 3.762 15.262 2.554 1.00 0.00 C ATOM 139 O SER A 10 3.851 16.442 2.218 1.00 0.00 O ATOM 140 CB SER A 10 4.231 14.710 4.958 1.00 0.00 C ATOM 141 OG SER A 10 3.817 15.194 6.233 1.00 0.00 O ATOM 0 H SER A 10 2.899 12.823 3.593 1.00 0.00 H new ATOM 0 HA SER A 10 2.479 15.684 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.495 13.656 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.130 15.240 4.643 1.00 0.00 H new ATOM 0 HG SER A 10 4.540 15.065 6.882 1.00 0.00 H new ATOM 147 N CYS A 11 4.177 14.240 1.819 1.00 0.00 N ATOM 148 CA CYS A 11 4.788 14.452 0.518 1.00 0.00 C ATOM 149 C CYS A 11 6.293 14.636 0.719 1.00 0.00 C ATOM 150 O CYS A 11 6.737 15.025 1.799 1.00 0.00 O ATOM 151 CB CYS A 11 4.160 15.640 -0.214 1.00 0.00 C ATOM 152 SG CYS A 11 4.350 15.431 -2.022 1.00 0.00 S ATOM 0 H CYS A 11 4.102 13.262 2.100 1.00 0.00 H new ATOM 0 HA CYS A 11 4.611 13.584 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.104 15.719 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.636 16.567 0.105 1.00 0.00 H new ATOM 0 HG CYS A 11 3.812 16.443 -2.635 1.00 0.00 H new ATOM 158 N ASN A 12 7.038 14.349 -0.338 1.00 0.00 N ATOM 159 CA ASN A 12 8.485 14.477 -0.292 1.00 0.00 C ATOM 160 C ASN A 12 9.080 13.247 0.395 1.00 0.00 C ATOM 161 O ASN A 12 9.438 13.301 1.571 1.00 0.00 O ATOM 162 CB ASN A 12 8.902 15.714 0.507 1.00 0.00 C ATOM 163 CG ASN A 12 7.915 16.863 0.295 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.501 17.163 -0.813 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.562 17.487 1.415 1.00 0.00 N ATOM 0 H ASN A 12 6.667 14.028 -1.232 1.00 0.00 H new ATOM 0 HA ASN A 12 8.849 14.569 -1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.954 15.466 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.901 16.027 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.907 18.268 1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.946 17.185 2.310 1.00 0.00 H new ATOM 172 N HIS A 13 9.168 12.167 -0.367 1.00 0.00 N ATOM 173 CA HIS A 13 9.714 10.925 0.154 1.00 0.00 C ATOM 174 C HIS A 13 8.590 10.088 0.766 1.00 0.00 C ATOM 175 O HIS A 13 8.756 8.890 0.993 1.00 0.00 O ATOM 176 CB HIS A 13 10.851 11.203 1.139 1.00 0.00 C ATOM 177 CG HIS A 13 10.432 11.159 2.589 1.00 0.00 C ATOM 178 ND1 HIS A 13 9.827 10.054 3.161 1.00 0.00 N ATOM 179 CD2 HIS A 13 10.537 12.095 3.576 1.00 0.00 C ATOM 180 CE1 HIS A 13 9.583 10.323 4.435 1.00 0.00 C ATOM 181 NE2 HIS A 13 10.024 11.589 4.690 1.00 0.00 N ATOM 0 H HIS A 13 8.870 12.126 -1.342 1.00 0.00 H new ATOM 0 HA HIS A 13 10.150 10.345 -0.659 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.644 10.473 0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.273 12.184 0.923 1.00 0.00 H new ATOM 0 HD1 HIS A 13 9.606 9.180 2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.965 13.081 3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.117 9.657 5.147 1.00 0.00 H new ATOM 189 N CYS A 14 7.471 10.751 1.017 1.00 0.00 N ATOM 190 CA CYS A 14 6.319 10.082 1.599 1.00 0.00 C ATOM 191 C CYS A 14 5.796 9.060 0.589 1.00 0.00 C ATOM 192 O CYS A 14 5.733 7.867 0.883 1.00 0.00 O ATOM 193 CB CYS A 14 5.236 11.080 2.015 1.00 0.00 C ATOM 194 SG CYS A 14 5.606 11.748 3.678 1.00 0.00 S ATOM 0 H CYS A 14 7.337 11.744 0.828 1.00 0.00 H new ATOM 0 HA CYS A 14 6.617 9.568 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.182 11.893 1.291 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.262 10.591 2.019 1.00 0.00 H new ATOM 0 HG CYS A 14 4.562 11.614 4.441 1.00 0.00 H new ATOM 200 N VAL A 15 5.433 9.564 -0.581 1.00 0.00 N ATOM 201 CA VAL A 15 4.917 8.710 -1.637 1.00 0.00 C ATOM 202 C VAL A 15 5.756 7.432 -1.709 1.00 0.00 C ATOM 203 O VAL A 15 5.212 6.329 -1.740 1.00 0.00 O ATOM 204 CB VAL A 15 4.881 9.476 -2.961 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.962 8.519 -4.151 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.634 10.358 -3.050 1.00 0.00 C ATOM 0 H VAL A 15 5.486 10.554 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 15 3.890 8.414 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 15 5.755 10.127 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.934 9.090 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.892 7.953 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.117 7.831 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.633 10.892 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.742 9.735 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.637 11.077 -2.231 1.00 0.00 H new ATOM 216 N ALA A 16 7.066 7.623 -1.733 1.00 0.00 N ATOM 217 CA ALA A 16 7.985 6.500 -1.801 1.00 0.00 C ATOM 218 C ALA A 16 7.858 5.665 -0.525 1.00 0.00 C ATOM 219 O ALA A 16 7.616 4.461 -0.589 1.00 0.00 O ATOM 220 CB ALA A 16 9.409 7.017 -2.020 1.00 0.00 C ATOM 0 H ALA A 16 7.513 8.539 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 16 7.740 5.854 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.098 6.174 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.453 7.578 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.691 7.667 -1.192 1.00 0.00 H new ATOM 226 N ARG A 17 8.028 6.338 0.604 1.00 0.00 N ATOM 227 CA ARG A 17 7.935 5.673 1.892 1.00 0.00 C ATOM 228 C ARG A 17 6.723 4.740 1.922 1.00 0.00 C ATOM 229 O ARG A 17 6.817 3.609 2.396 1.00 0.00 O ATOM 230 CB ARG A 17 7.816 6.690 3.029 1.00 0.00 C ATOM 231 CG ARG A 17 8.897 6.460 4.086 1.00 0.00 C ATOM 232 CD ARG A 17 8.600 7.257 5.358 1.00 0.00 C ATOM 233 NE ARG A 17 8.111 6.350 6.421 1.00 0.00 N ATOM 234 CZ ARG A 17 8.871 5.431 7.033 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.159 5.292 6.691 1.00 0.00 N ATOM 236 NH2 ARG A 17 8.343 4.652 7.986 1.00 0.00 N ATOM 0 H ARG A 17 8.230 7.337 0.653 1.00 0.00 H new ATOM 0 HA ARG A 17 8.847 5.093 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.903 7.700 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.831 6.613 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.958 5.398 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.868 6.753 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.501 7.771 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.853 8.024 5.151 1.00 0.00 H new ATOM 0 HE ARG A 17 7.135 6.429 6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.561 5.885 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.738 4.593 7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.362 4.758 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.921 3.953 8.452 1.00 0.00 H new ATOM 250 N ILE A 18 5.612 5.249 1.410 1.00 0.00 N ATOM 251 CA ILE A 18 4.382 4.476 1.372 1.00 0.00 C ATOM 252 C ILE A 18 4.551 3.304 0.402 1.00 0.00 C ATOM 253 O ILE A 18 4.487 2.145 0.807 1.00 0.00 O ATOM 254 CB ILE A 18 3.191 5.378 1.044 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.138 6.580 1.989 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.883 4.584 1.052 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.182 7.652 1.461 1.00 0.00 C ATOM 0 H ILE A 18 5.538 6.188 1.018 1.00 0.00 H new ATOM 0 HA ILE A 18 4.169 4.051 2.353 1.00 0.00 H new ATOM 0 HB ILE A 18 3.325 5.767 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.815 6.255 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.137 7.002 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.052 5.249 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.935 3.790 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.729 4.147 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.163 8.495 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.521 7.992 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.179 7.234 1.372 1.00 0.00 H new ATOM 269 N GLU A 19 4.765 3.648 -0.859 1.00 0.00 N ATOM 270 CA GLU A 19 4.944 2.640 -1.890 1.00 0.00 C ATOM 271 C GLU A 19 5.957 1.588 -1.433 1.00 0.00 C ATOM 272 O GLU A 19 5.697 0.389 -1.528 1.00 0.00 O ATOM 273 CB GLU A 19 5.374 3.278 -3.212 1.00 0.00 C ATOM 274 CG GLU A 19 4.982 2.396 -4.400 1.00 0.00 C ATOM 275 CD GLU A 19 6.094 1.398 -4.732 1.00 0.00 C ATOM 276 OE1 GLU A 19 6.446 0.617 -3.822 1.00 0.00 O ATOM 277 OE2 GLU A 19 6.568 1.440 -5.888 1.00 0.00 O ATOM 0 H GLU A 19 4.819 4.611 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 19 3.987 2.146 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.910 4.259 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.453 3.434 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.062 1.858 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.777 3.021 -5.270 1.00 0.00 H new ATOM 284 N GLU A 20 7.089 2.075 -0.949 1.00 0.00 N ATOM 285 CA GLU A 20 8.143 1.192 -0.477 1.00 0.00 C ATOM 286 C GLU A 20 7.671 0.413 0.752 1.00 0.00 C ATOM 287 O GLU A 20 7.879 -0.796 0.842 1.00 0.00 O ATOM 288 CB GLU A 20 9.420 1.976 -0.172 1.00 0.00 C ATOM 289 CG GLU A 20 10.661 1.105 -0.380 1.00 0.00 C ATOM 290 CD GLU A 20 11.874 1.960 -0.755 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.745 2.731 -1.730 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.902 1.822 -0.058 1.00 0.00 O ATOM 0 H GLU A 20 7.300 3.070 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 20 8.375 0.479 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.475 2.853 -0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.393 2.337 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.874 0.545 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.469 0.374 -1.166 1.00 0.00 H new ATOM 299 N ALA A 21 7.045 1.137 1.668 1.00 0.00 N ATOM 300 CA ALA A 21 6.542 0.528 2.888 1.00 0.00 C ATOM 301 C ALA A 21 5.565 -0.593 2.529 1.00 0.00 C ATOM 302 O ALA A 21 5.614 -1.674 3.112 1.00 0.00 O ATOM 303 CB ALA A 21 5.899 1.603 3.767 1.00 0.00 C ATOM 0 H ALA A 21 6.875 2.140 1.590 1.00 0.00 H new ATOM 0 HA ALA A 21 7.357 0.084 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.522 1.147 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.642 2.360 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.075 2.069 3.227 1.00 0.00 H new ATOM 309 N VAL A 22 4.700 -0.295 1.570 1.00 0.00 N ATOM 310 CA VAL A 22 3.712 -1.264 1.126 1.00 0.00 C ATOM 311 C VAL A 22 4.402 -2.337 0.280 1.00 0.00 C ATOM 312 O VAL A 22 4.093 -3.522 0.401 1.00 0.00 O ATOM 313 CB VAL A 22 2.579 -0.554 0.383 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.743 -1.550 -0.423 1.00 0.00 C ATOM 315 CG2 VAL A 22 1.702 0.241 1.352 1.00 0.00 C ATOM 0 H VAL A 22 4.663 0.603 1.088 1.00 0.00 H new ATOM 0 HA VAL A 22 3.257 -1.765 1.981 1.00 0.00 H new ATOM 0 HB VAL A 22 3.027 0.150 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.945 -1.019 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.379 -2.052 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.309 -2.290 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.904 0.736 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.267 -0.435 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.309 0.990 1.861 1.00 0.00 H new ATOM 325 N GLY A 23 5.323 -1.884 -0.558 1.00 0.00 N ATOM 326 CA GLY A 23 6.058 -2.790 -1.423 1.00 0.00 C ATOM 327 C GLY A 23 6.894 -3.774 -0.603 1.00 0.00 C ATOM 328 O GLY A 23 7.394 -4.764 -1.135 1.00 0.00 O ATOM 0 H GLY A 23 5.577 -0.901 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.361 -3.339 -2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.708 -2.219 -2.085 1.00 0.00 H new ATOM 332 N ARG A 24 7.022 -3.467 0.680 1.00 0.00 N ATOM 333 CA ARG A 24 7.789 -4.312 1.579 1.00 0.00 C ATOM 334 C ARG A 24 6.911 -5.437 2.128 1.00 0.00 C ATOM 335 O ARG A 24 7.416 -6.393 2.716 1.00 0.00 O ATOM 336 CB ARG A 24 8.357 -3.501 2.746 1.00 0.00 C ATOM 337 CG ARG A 24 8.848 -4.422 3.865 1.00 0.00 C ATOM 338 CD ARG A 24 9.977 -3.763 4.661 1.00 0.00 C ATOM 339 NE ARG A 24 9.456 -3.251 5.948 1.00 0.00 N ATOM 340 CZ ARG A 24 10.230 -2.874 6.975 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.564 -2.951 6.873 1.00 0.00 N ATOM 342 NH2 ARG A 24 9.670 -2.421 8.105 1.00 0.00 N ATOM 0 H ARG A 24 6.607 -2.645 1.118 1.00 0.00 H new ATOM 0 HA ARG A 24 8.616 -4.737 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.180 -2.879 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.591 -2.828 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.020 -4.663 4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.199 -5.362 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.774 -4.484 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.411 -2.946 4.084 1.00 0.00 H new ATOM 0 HE ARG A 24 8.445 -3.181 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.991 -3.297 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.153 -2.664 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.655 -2.363 8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.259 -2.134 8.887 1.00 0.00 H new ATOM 356 N ILE A 25 5.611 -5.287 1.918 1.00 0.00 N ATOM 357 CA ILE A 25 4.658 -6.279 2.385 1.00 0.00 C ATOM 358 C ILE A 25 4.845 -7.573 1.592 1.00 0.00 C ATOM 359 O ILE A 25 4.745 -7.574 0.366 1.00 0.00 O ATOM 360 CB ILE A 25 3.234 -5.723 2.327 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.125 -4.411 3.108 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.219 -6.762 2.808 1.00 0.00 C ATOM 363 CD1 ILE A 25 3.698 -4.564 4.519 1.00 0.00 C ATOM 0 H ILE A 25 5.196 -4.493 1.431 1.00 0.00 H new ATOM 0 HA ILE A 25 4.840 -6.518 3.433 1.00 0.00 H new ATOM 0 HB ILE A 25 2.997 -5.499 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.659 -3.623 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.081 -4.104 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.215 -6.341 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.275 -7.646 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.443 -7.040 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.608 -3.618 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.146 -5.336 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.749 -4.847 4.456 1.00 0.00 H new ATOM 375 N SER A 26 5.114 -8.645 2.323 1.00 0.00 N ATOM 376 CA SER A 26 5.316 -9.943 1.702 1.00 0.00 C ATOM 377 C SER A 26 4.018 -10.416 1.044 1.00 0.00 C ATOM 378 O SER A 26 3.073 -10.799 1.732 1.00 0.00 O ATOM 379 CB SER A 26 5.799 -10.973 2.725 1.00 0.00 C ATOM 380 OG SER A 26 5.852 -12.287 2.175 1.00 0.00 O ATOM 0 H SER A 26 5.197 -8.641 3.340 1.00 0.00 H new ATOM 0 HA SER A 26 6.087 -9.841 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.788 -10.690 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.133 -10.968 3.588 1.00 0.00 H new ATOM 0 HG SER A 26 6.166 -12.915 2.858 1.00 0.00 H new ATOM 386 N GLY A 27 4.014 -10.376 -0.280 1.00 0.00 N ATOM 387 CA GLY A 27 2.849 -10.795 -1.038 1.00 0.00 C ATOM 388 C GLY A 27 2.469 -9.746 -2.086 1.00 0.00 C ATOM 389 O GLY A 27 1.785 -10.056 -3.060 1.00 0.00 O ATOM 0 H GLY A 27 4.800 -10.059 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.053 -11.747 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.010 -10.959 -0.361 1.00 0.00 H new ATOM 393 N VAL A 28 2.929 -8.527 -1.849 1.00 0.00 N ATOM 394 CA VAL A 28 2.646 -7.430 -2.759 1.00 0.00 C ATOM 395 C VAL A 28 3.631 -7.477 -3.928 1.00 0.00 C ATOM 396 O VAL A 28 4.843 -7.417 -3.726 1.00 0.00 O ATOM 397 CB VAL A 28 2.677 -6.101 -2.003 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.317 -4.936 -2.927 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.752 -6.141 -0.784 1.00 0.00 C ATOM 0 H VAL A 28 3.496 -8.274 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 28 1.643 -7.527 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 28 3.695 -5.943 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.346 -4.003 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.033 -4.888 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.315 -5.086 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.793 -5.184 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.730 -6.334 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.074 -6.934 -0.109 1.00 0.00 H new ATOM 409 N LYS A 29 3.075 -7.582 -5.126 1.00 0.00 N ATOM 410 CA LYS A 29 3.890 -7.637 -6.328 1.00 0.00 C ATOM 411 C LYS A 29 4.215 -6.213 -6.784 1.00 0.00 C ATOM 412 O LYS A 29 5.381 -5.866 -6.962 1.00 0.00 O ATOM 413 CB LYS A 29 3.205 -8.485 -7.401 1.00 0.00 C ATOM 414 CG LYS A 29 4.216 -8.978 -8.438 1.00 0.00 C ATOM 415 CD LYS A 29 4.174 -10.502 -8.564 1.00 0.00 C ATOM 416 CE LYS A 29 5.145 -10.990 -9.642 1.00 0.00 C ATOM 417 NZ LYS A 29 4.436 -11.187 -10.926 1.00 0.00 N ATOM 0 H LYS A 29 2.069 -7.630 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 29 4.840 -8.131 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.711 -9.338 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.430 -7.898 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.001 -8.524 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.219 -8.661 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.429 -10.957 -7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.161 -10.822 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.949 -10.265 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.607 -11.926 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.109 -11.518 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.684 -11.895 -10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.016 -10.286 -11.232 1.00 0.00 H new ATOM 431 N LYS A 30 3.163 -5.427 -6.959 1.00 0.00 N ATOM 432 CA LYS A 30 3.322 -4.049 -7.390 1.00 0.00 C ATOM 433 C LYS A 30 2.491 -3.137 -6.486 1.00 0.00 C ATOM 434 O LYS A 30 1.476 -3.560 -5.935 1.00 0.00 O ATOM 435 CB LYS A 30 2.987 -3.911 -8.877 1.00 0.00 C ATOM 436 CG LYS A 30 3.707 -4.979 -9.703 1.00 0.00 C ATOM 437 CD LYS A 30 4.963 -4.407 -10.363 1.00 0.00 C ATOM 438 CE LYS A 30 5.211 -5.058 -11.725 1.00 0.00 C ATOM 439 NZ LYS A 30 6.644 -4.973 -12.087 1.00 0.00 N ATOM 0 H LYS A 30 2.197 -5.718 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 30 4.361 -3.736 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.910 -4.000 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.275 -2.920 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.979 -5.818 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.034 -5.367 -10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.855 -3.329 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.825 -4.570 -9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.898 -6.102 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.608 -4.564 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.795 -5.419 -13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.932 -3.975 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.213 -5.465 -11.369 1.00 0.00 H new ATOM 453 N VAL A 31 2.953 -1.901 -6.360 1.00 0.00 N ATOM 454 CA VAL A 31 2.265 -0.925 -5.532 1.00 0.00 C ATOM 455 C VAL A 31 2.628 0.484 -6.004 1.00 0.00 C ATOM 456 O VAL A 31 3.732 0.713 -6.497 1.00 0.00 O ATOM 457 CB VAL A 31 2.595 -1.166 -4.057 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.108 -1.211 -3.834 1.00 0.00 C ATOM 459 CG2 VAL A 31 1.942 -0.105 -3.170 1.00 0.00 C ATOM 0 H VAL A 31 3.796 -1.553 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 31 1.185 -1.032 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 31 2.186 -2.137 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.315 -1.383 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.539 -2.019 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.549 -0.263 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.192 -0.299 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.308 0.882 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.860 -0.141 -3.297 1.00 0.00 H new ATOM 469 N LYS A 32 1.679 1.392 -5.837 1.00 0.00 N ATOM 470 CA LYS A 32 1.884 2.773 -6.239 1.00 0.00 C ATOM 471 C LYS A 32 0.955 3.680 -5.430 1.00 0.00 C ATOM 472 O LYS A 32 0.004 3.206 -4.811 1.00 0.00 O ATOM 473 CB LYS A 32 1.721 2.920 -7.753 1.00 0.00 C ATOM 474 CG LYS A 32 2.476 4.146 -8.270 1.00 0.00 C ATOM 475 CD LYS A 32 1.505 5.228 -8.747 1.00 0.00 C ATOM 476 CE LYS A 32 0.925 4.877 -10.119 1.00 0.00 C ATOM 477 NZ LYS A 32 1.755 5.459 -11.197 1.00 0.00 N ATOM 0 H LYS A 32 0.765 1.198 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 32 2.905 3.085 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.092 2.024 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.663 3.008 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.112 4.546 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.132 3.854 -9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.697 5.341 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.021 6.187 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.877 3.794 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.096 5.252 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.347 5.211 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.780 6.494 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.722 5.082 -11.133 1.00 0.00 H new ATOM 491 N VAL A 33 1.262 4.968 -5.462 1.00 0.00 N ATOM 492 CA VAL A 33 0.466 5.946 -4.739 1.00 0.00 C ATOM 493 C VAL A 33 0.270 7.185 -5.614 1.00 0.00 C ATOM 494 O VAL A 33 1.188 7.604 -6.318 1.00 0.00 O ATOM 495 CB VAL A 33 1.121 6.262 -3.393 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.313 7.203 -3.571 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.103 6.845 -2.411 1.00 0.00 C ATOM 0 H VAL A 33 2.051 5.358 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.523 5.545 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 33 1.493 5.327 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.760 7.411 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.054 6.733 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.976 8.136 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.595 7.061 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.313 7.765 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.699 6.125 -2.248 1.00 0.00 H new ATOM 507 N GLN A 34 -0.932 7.738 -5.541 1.00 0.00 N ATOM 508 CA GLN A 34 -1.260 8.921 -6.318 1.00 0.00 C ATOM 509 C GLN A 34 -1.619 10.083 -5.389 1.00 0.00 C ATOM 510 O GLN A 34 -2.549 9.980 -4.591 1.00 0.00 O ATOM 511 CB GLN A 34 -2.396 8.634 -7.301 1.00 0.00 C ATOM 512 CG GLN A 34 -1.963 7.614 -8.357 1.00 0.00 C ATOM 513 CD GLN A 34 -1.494 8.314 -9.635 1.00 0.00 C ATOM 514 OE1 GLN A 34 -1.005 9.431 -9.618 1.00 0.00 O ATOM 515 NE2 GLN A 34 -1.671 7.595 -10.740 1.00 0.00 N ATOM 0 H GLN A 34 -1.691 7.388 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.383 9.204 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.263 8.256 -6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.703 9.560 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.158 6.994 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.795 6.948 -8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.087 6.665 -10.682 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.391 7.973 -11.645 1.00 0.00 H new ATOM 524 N LEU A 35 -0.862 11.162 -5.524 1.00 0.00 N ATOM 525 CA LEU A 35 -1.089 12.342 -4.708 1.00 0.00 C ATOM 526 C LEU A 35 -2.444 12.955 -5.070 1.00 0.00 C ATOM 527 O LEU A 35 -3.232 13.293 -4.188 1.00 0.00 O ATOM 528 CB LEU A 35 0.082 13.318 -4.838 1.00 0.00 C ATOM 529 CG LEU A 35 0.158 14.420 -3.780 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.597 13.852 -2.428 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.064 15.563 -4.242 1.00 0.00 C ATOM 0 H LEU A 35 -0.091 11.244 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.133 12.072 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.010 12.747 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.030 13.788 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.841 14.835 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.643 14.656 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.120 13.100 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.581 13.395 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.100 16.333 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.069 15.181 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.669 15.991 -5.164 1.00 0.00 H new ATOM 543 N LYS A 36 -2.673 13.080 -6.369 1.00 0.00 N ATOM 544 CA LYS A 36 -3.918 13.646 -6.858 1.00 0.00 C ATOM 545 C LYS A 36 -4.977 12.545 -6.939 1.00 0.00 C ATOM 546 O LYS A 36 -5.737 12.479 -7.905 1.00 0.00 O ATOM 547 CB LYS A 36 -3.690 14.379 -8.182 1.00 0.00 C ATOM 548 CG LYS A 36 -2.651 15.491 -8.021 1.00 0.00 C ATOM 549 CD LYS A 36 -3.107 16.772 -8.724 1.00 0.00 C ATOM 550 CE LYS A 36 -2.404 16.937 -10.073 1.00 0.00 C ATOM 551 NZ LYS A 36 -1.423 18.043 -10.014 1.00 0.00 N ATOM 0 H LYS A 36 -2.017 12.799 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.293 14.398 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.356 13.671 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.630 14.803 -8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.488 15.691 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.697 15.165 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.186 16.745 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.894 17.634 -8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.899 16.009 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.140 17.137 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.955 18.141 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.913 18.929 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.711 17.837 -9.285 1.00 0.00 H new ATOM 565 N LYS A 37 -4.993 11.707 -5.913 1.00 0.00 N ATOM 566 CA LYS A 37 -5.946 10.611 -5.856 1.00 0.00 C ATOM 567 C LYS A 37 -6.344 10.362 -4.400 1.00 0.00 C ATOM 568 O LYS A 37 -7.509 10.099 -4.108 1.00 0.00 O ATOM 569 CB LYS A 37 -5.384 9.375 -6.561 1.00 0.00 C ATOM 570 CG LYS A 37 -6.481 8.636 -7.330 1.00 0.00 C ATOM 571 CD LYS A 37 -5.985 7.273 -7.818 1.00 0.00 C ATOM 572 CE LYS A 37 -7.026 6.184 -7.552 1.00 0.00 C ATOM 573 NZ LYS A 37 -6.507 4.860 -7.960 1.00 0.00 N ATOM 0 H LYS A 37 -4.361 11.765 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.857 10.870 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.591 9.672 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.936 8.706 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.352 8.502 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.801 9.237 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.769 7.321 -8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.052 7.020 -7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.283 6.170 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.942 6.407 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.161 4.426 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.572 4.974 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.423 4.247 -7.124 1.00 0.00 H new ATOM 587 N GLU A 38 -5.353 10.454 -3.526 1.00 0.00 N ATOM 588 CA GLU A 38 -5.585 10.242 -2.107 1.00 0.00 C ATOM 589 C GLU A 38 -5.863 8.763 -1.830 1.00 0.00 C ATOM 590 O GLU A 38 -6.578 8.428 -0.887 1.00 0.00 O ATOM 591 CB GLU A 38 -6.732 11.119 -1.602 1.00 0.00 C ATOM 592 CG GLU A 38 -6.198 12.355 -0.876 1.00 0.00 C ATOM 593 CD GLU A 38 -7.145 12.785 0.246 1.00 0.00 C ATOM 594 OE1 GLU A 38 -8.343 12.963 -0.060 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.649 12.924 1.385 1.00 0.00 O ATOM 0 H GLU A 38 -4.388 10.672 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.685 10.530 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.356 11.427 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.366 10.543 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.213 12.141 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.075 13.173 -1.586 1.00 0.00 H new ATOM 602 N LYS A 39 -5.283 7.917 -2.669 1.00 0.00 N ATOM 603 CA LYS A 39 -5.459 6.482 -2.527 1.00 0.00 C ATOM 604 C LYS A 39 -4.269 5.761 -3.163 1.00 0.00 C ATOM 605 O LYS A 39 -3.800 6.152 -4.230 1.00 0.00 O ATOM 606 CB LYS A 39 -6.813 6.050 -3.092 1.00 0.00 C ATOM 607 CG LYS A 39 -7.643 7.263 -3.516 1.00 0.00 C ATOM 608 CD LYS A 39 -8.924 6.829 -4.231 1.00 0.00 C ATOM 609 CE LYS A 39 -9.986 6.376 -3.226 1.00 0.00 C ATOM 610 NZ LYS A 39 -11.235 7.148 -3.410 1.00 0.00 N ATOM 0 H LYS A 39 -4.690 8.198 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.475 6.203 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.661 5.392 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.358 5.477 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.896 7.859 -2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.053 7.900 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.311 7.656 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.702 6.016 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.187 5.312 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.615 6.510 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.945 6.829 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.042 8.160 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.596 6.999 -4.374 1.00 0.00 H new ATOM 624 N ALA A 40 -3.814 4.720 -2.480 1.00 0.00 N ATOM 625 CA ALA A 40 -2.688 3.941 -2.964 1.00 0.00 C ATOM 626 C ALA A 40 -3.205 2.655 -3.613 1.00 0.00 C ATOM 627 O ALA A 40 -4.101 2.003 -3.080 1.00 0.00 O ATOM 628 CB ALA A 40 -1.723 3.665 -1.809 1.00 0.00 C ATOM 0 H ALA A 40 -4.206 4.398 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.136 4.495 -3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.878 3.080 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.362 4.610 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.240 3.108 -1.028 1.00 0.00 H new ATOM 634 N VAL A 41 -2.617 2.328 -4.754 1.00 0.00 N ATOM 635 CA VAL A 41 -3.006 1.132 -5.481 1.00 0.00 C ATOM 636 C VAL A 41 -1.950 0.046 -5.271 1.00 0.00 C ATOM 637 O VAL A 41 -0.758 0.291 -5.452 1.00 0.00 O ATOM 638 CB VAL A 41 -3.234 1.467 -6.957 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.999 0.345 -7.662 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.959 2.806 -7.109 1.00 0.00 C ATOM 0 H VAL A 41 -1.874 2.871 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.951 0.744 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.259 1.558 -7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.148 0.608 -8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.427 -0.581 -7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.968 0.207 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.109 3.021 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.926 2.755 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.359 3.598 -6.660 1.00 0.00 H new ATOM 650 N VAL A 42 -2.424 -1.132 -4.893 1.00 0.00 N ATOM 651 CA VAL A 42 -1.535 -2.256 -4.656 1.00 0.00 C ATOM 652 C VAL A 42 -1.909 -3.403 -5.597 1.00 0.00 C ATOM 653 O VAL A 42 -3.058 -3.513 -6.022 1.00 0.00 O ATOM 654 CB VAL A 42 -1.578 -2.656 -3.180 1.00 0.00 C ATOM 655 CG1 VAL A 42 -2.955 -3.203 -2.800 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.477 -3.666 -2.853 1.00 0.00 C ATOM 0 H VAL A 42 -3.413 -1.332 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.503 -1.979 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.398 -1.761 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.958 -3.480 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.712 -2.439 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.178 -4.081 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.530 -3.933 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.612 -4.561 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.497 -3.225 -3.067 1.00 0.00 H new ATOM 666 N LYS A 43 -0.917 -4.229 -5.895 1.00 0.00 N ATOM 667 CA LYS A 43 -1.127 -5.364 -6.778 1.00 0.00 C ATOM 668 C LYS A 43 -0.644 -6.640 -6.085 1.00 0.00 C ATOM 669 O LYS A 43 0.334 -7.250 -6.513 1.00 0.00 O ATOM 670 CB LYS A 43 -0.469 -5.115 -8.136 1.00 0.00 C ATOM 671 CG LYS A 43 -1.064 -6.030 -9.209 1.00 0.00 C ATOM 672 CD LYS A 43 -0.551 -5.650 -10.600 1.00 0.00 C ATOM 673 CE LYS A 43 -1.654 -5.793 -11.649 1.00 0.00 C ATOM 674 NZ LYS A 43 -1.402 -6.970 -12.510 1.00 0.00 N ATOM 0 H LYS A 43 0.035 -4.135 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.189 -5.495 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.606 -4.073 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.605 -5.287 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.805 -7.066 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.152 -5.962 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.186 -4.623 -10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.294 -6.286 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.621 -5.896 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.702 -4.892 -12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.161 -7.052 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.489 -6.857 -12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.379 -7.830 -11.925 1.00 0.00 H new ATOM 688 N PHE A 44 -1.353 -7.005 -5.027 1.00 0.00 N ATOM 689 CA PHE A 44 -1.009 -8.197 -4.271 1.00 0.00 C ATOM 690 C PHE A 44 -2.101 -9.260 -4.396 1.00 0.00 C ATOM 691 O PHE A 44 -2.935 -9.195 -5.299 1.00 0.00 O ATOM 692 CB PHE A 44 -0.888 -7.777 -2.804 1.00 0.00 C ATOM 693 CG PHE A 44 -2.226 -7.448 -2.139 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.810 -6.237 -2.348 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.832 -8.366 -1.339 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.052 -5.932 -1.731 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.074 -8.060 -0.722 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.658 -6.850 -0.931 1.00 0.00 C ATOM 0 H PHE A 44 -2.164 -6.496 -4.675 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.080 -8.623 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.404 -8.578 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.237 -6.905 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.329 -5.508 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.369 -9.327 -1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.516 -4.971 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.555 -8.789 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.603 -6.618 -0.462 1.00 0.00 H new ATOM 708 N ASP A 45 -2.062 -10.215 -3.478 1.00 0.00 N ATOM 709 CA ASP A 45 -3.039 -11.290 -3.475 1.00 0.00 C ATOM 710 C ASP A 45 -3.393 -11.647 -2.030 1.00 0.00 C ATOM 711 O ASP A 45 -2.530 -11.635 -1.154 1.00 0.00 O ATOM 712 CB ASP A 45 -2.478 -12.545 -4.148 1.00 0.00 C ATOM 713 CG ASP A 45 -3.530 -13.493 -4.727 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.602 -13.607 -4.094 1.00 0.00 O ATOM 715 OD2 ASP A 45 -3.240 -14.081 -5.791 1.00 0.00 O ATOM 0 H ASP A 45 -1.369 -10.266 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.918 -10.949 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.806 -12.239 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.879 -13.092 -3.420 1.00 0.00 H new ATOM 720 N GLU A 46 -4.665 -11.957 -1.825 1.00 0.00 N ATOM 721 CA GLU A 46 -5.145 -12.316 -0.502 1.00 0.00 C ATOM 722 C GLU A 46 -4.661 -13.718 -0.125 1.00 0.00 C ATOM 723 O GLU A 46 -4.829 -14.152 1.014 1.00 0.00 O ATOM 724 CB GLU A 46 -6.670 -12.224 -0.427 1.00 0.00 C ATOM 725 CG GLU A 46 -7.118 -11.621 0.906 1.00 0.00 C ATOM 726 CD GLU A 46 -7.956 -12.621 1.706 1.00 0.00 C ATOM 727 OE1 GLU A 46 -7.350 -13.584 2.223 1.00 0.00 O ATOM 728 OE2 GLU A 46 -9.184 -12.399 1.782 1.00 0.00 O ATOM 0 H GLU A 46 -5.378 -11.967 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.736 -11.605 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.042 -11.613 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.104 -13.217 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.245 -11.326 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.700 -10.718 0.723 1.00 0.00 H new ATOM 735 N ALA A 47 -4.070 -14.389 -1.103 1.00 0.00 N ATOM 736 CA ALA A 47 -3.561 -15.733 -0.888 1.00 0.00 C ATOM 737 C ALA A 47 -2.148 -15.651 -0.308 1.00 0.00 C ATOM 738 O ALA A 47 -1.484 -16.672 -0.135 1.00 0.00 O ATOM 739 CB ALA A 47 -3.607 -16.512 -2.204 1.00 0.00 C ATOM 0 H ALA A 47 -3.932 -14.027 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.182 -16.269 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.225 -17.520 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.636 -16.566 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.992 -16.006 -2.948 1.00 0.00 H new ATOM 745 N ASN A 48 -1.728 -14.427 -0.024 1.00 0.00 N ATOM 746 CA ASN A 48 -0.406 -14.199 0.533 1.00 0.00 C ATOM 747 C ASN A 48 -0.479 -13.072 1.565 1.00 0.00 C ATOM 748 O ASN A 48 -0.045 -13.240 2.704 1.00 0.00 O ATOM 749 CB ASN A 48 0.585 -13.779 -0.555 1.00 0.00 C ATOM 750 CG ASN A 48 1.819 -14.685 -0.552 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.776 -14.469 0.173 1.00 0.00 O ATOM 752 ND2 ASN A 48 1.742 -15.706 -1.400 1.00 0.00 N ATOM 0 H ASN A 48 -2.281 -13.582 -0.169 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.068 -15.129 0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.100 -13.822 -1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.889 -12.744 -0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.515 -16.368 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.910 -15.827 -1.978 1.00 0.00 H new ATOM 759 N VAL A 49 -1.032 -11.949 1.131 1.00 0.00 N ATOM 760 CA VAL A 49 -1.168 -10.796 2.003 1.00 0.00 C ATOM 761 C VAL A 49 -2.542 -10.158 1.789 1.00 0.00 C ATOM 762 O VAL A 49 -3.098 -10.227 0.694 1.00 0.00 O ATOM 763 CB VAL A 49 -0.013 -9.821 1.765 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.116 -9.177 0.381 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.041 -8.756 2.863 1.00 0.00 C ATOM 0 H VAL A 49 -1.391 -11.814 0.186 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.110 -11.099 3.048 1.00 0.00 H new ATOM 0 HB VAL A 49 0.917 -10.388 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.717 -8.488 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.082 -9.952 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.056 -8.631 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.871 -8.076 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.893 -8.195 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.184 -9.238 3.830 1.00 0.00 H new ATOM 775 N GLN A 50 -3.051 -9.553 2.852 1.00 0.00 N ATOM 776 CA GLN A 50 -4.349 -8.904 2.794 1.00 0.00 C ATOM 777 C GLN A 50 -4.183 -7.383 2.794 1.00 0.00 C ATOM 778 O GLN A 50 -3.293 -6.852 3.458 1.00 0.00 O ATOM 779 CB GLN A 50 -5.242 -9.358 3.951 1.00 0.00 C ATOM 780 CG GLN A 50 -5.177 -10.877 4.129 1.00 0.00 C ATOM 781 CD GLN A 50 -4.645 -11.244 5.516 1.00 0.00 C ATOM 782 OE1 GLN A 50 -5.294 -11.048 6.530 1.00 0.00 O ATOM 783 NE2 GLN A 50 -3.431 -11.786 5.503 1.00 0.00 N ATOM 0 H GLN A 50 -2.587 -9.499 3.759 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.838 -9.197 1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.928 -8.866 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.271 -9.054 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.170 -11.306 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.534 -11.309 3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.943 -11.922 4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.988 -12.066 6.378 1.00 0.00 H new ATOM 792 N ALA A 51 -5.053 -6.724 2.043 1.00 0.00 N ATOM 793 CA ALA A 51 -5.014 -5.275 1.949 1.00 0.00 C ATOM 794 C ALA A 51 -5.138 -4.673 3.350 1.00 0.00 C ATOM 795 O ALA A 51 -4.418 -3.736 3.693 1.00 0.00 O ATOM 796 CB ALA A 51 -6.121 -4.794 1.008 1.00 0.00 C ATOM 0 H ALA A 51 -5.789 -7.167 1.494 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.063 -4.944 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.092 -3.707 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.971 -5.226 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.090 -5.106 1.397 1.00 0.00 H new ATOM 802 N THR A 52 -6.055 -5.236 4.122 1.00 0.00 N ATOM 803 CA THR A 52 -6.282 -4.767 5.479 1.00 0.00 C ATOM 804 C THR A 52 -4.954 -4.637 6.227 1.00 0.00 C ATOM 805 O THR A 52 -4.732 -3.660 6.940 1.00 0.00 O ATOM 806 CB THR A 52 -7.267 -5.724 6.152 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.467 -4.964 6.266 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.884 -6.037 7.599 1.00 0.00 C ATOM 0 H THR A 52 -6.650 -6.013 3.834 1.00 0.00 H new ATOM 0 HA THR A 52 -6.721 -3.769 5.484 1.00 0.00 H new ATOM 0 HB THR A 52 -7.318 -6.652 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.161 -5.510 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.616 -6.720 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.898 -6.500 7.622 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.865 -5.114 8.178 1.00 0.00 H new ATOM 816 N GLU A 53 -4.105 -5.637 6.038 1.00 0.00 N ATOM 817 CA GLU A 53 -2.805 -5.646 6.687 1.00 0.00 C ATOM 818 C GLU A 53 -1.936 -4.506 6.152 1.00 0.00 C ATOM 819 O GLU A 53 -1.185 -3.887 6.905 1.00 0.00 O ATOM 820 CB GLU A 53 -2.110 -6.997 6.502 1.00 0.00 C ATOM 821 CG GLU A 53 -1.797 -7.642 7.854 1.00 0.00 C ATOM 822 CD GLU A 53 -0.408 -7.231 8.349 1.00 0.00 C ATOM 823 OE1 GLU A 53 -0.332 -6.174 9.011 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.545 -7.984 8.054 1.00 0.00 O ATOM 0 H GLU A 53 -4.292 -6.446 5.445 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.953 -5.493 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.747 -7.661 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.188 -6.861 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.550 -7.347 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.849 -8.727 7.764 1.00 0.00 H new ATOM 831 N ILE A 54 -2.068 -4.262 4.856 1.00 0.00 N ATOM 832 CA ILE A 54 -1.305 -3.206 4.212 1.00 0.00 C ATOM 833 C ILE A 54 -1.648 -1.865 4.862 1.00 0.00 C ATOM 834 O ILE A 54 -0.774 -1.021 5.054 1.00 0.00 O ATOM 835 CB ILE A 54 -1.527 -3.232 2.699 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.748 -4.377 2.049 1.00 0.00 C ATOM 837 CG2 ILE A 54 -1.186 -1.878 2.072 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.011 -4.434 0.543 1.00 0.00 C ATOM 0 H ILE A 54 -2.692 -4.777 4.235 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.236 -3.365 4.357 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.585 -3.417 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.319 -4.245 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.035 -5.323 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.352 -1.923 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.822 -1.106 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.141 -1.639 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.445 -5.257 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.075 -4.590 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.700 -3.496 0.084 1.00 0.00 H new ATOM 850 N CYS A 55 -2.925 -1.709 5.183 1.00 0.00 N ATOM 851 CA CYS A 55 -3.395 -0.484 5.808 1.00 0.00 C ATOM 852 C CYS A 55 -2.618 -0.280 7.110 1.00 0.00 C ATOM 853 O CYS A 55 -2.210 0.837 7.425 1.00 0.00 O ATOM 854 CB CYS A 55 -4.906 -0.513 6.043 1.00 0.00 C ATOM 855 SG CYS A 55 -5.725 0.760 5.015 1.00 0.00 S ATOM 0 H CYS A 55 -3.648 -2.410 5.022 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.214 0.360 5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.301 -1.499 5.799 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.122 -0.335 7.097 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.125 1.902 5.178 1.00 0.00 H new ATOM 861 N GLN A 56 -2.437 -1.376 7.832 1.00 0.00 N ATOM 862 CA GLN A 56 -1.717 -1.331 9.093 1.00 0.00 C ATOM 863 C GLN A 56 -0.268 -0.896 8.861 1.00 0.00 C ATOM 864 O GLN A 56 0.269 -0.089 9.618 1.00 0.00 O ATOM 865 CB GLN A 56 -1.775 -2.683 9.806 1.00 0.00 C ATOM 866 CG GLN A 56 -2.063 -2.504 11.298 1.00 0.00 C ATOM 867 CD GLN A 56 -0.801 -2.735 12.132 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.298 -3.841 12.250 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.320 -1.634 12.701 1.00 0.00 N ATOM 0 H GLN A 56 -2.777 -2.301 7.568 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.199 -0.596 9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.549 -3.303 9.354 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.829 -3.208 9.675 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.445 -1.499 11.480 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.841 -3.202 11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.791 -0.740 12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.520 -1.683 13.278 1.00 0.00 H new ATOM 878 N ALA A 57 0.322 -1.450 7.813 1.00 0.00 N ATOM 879 CA ALA A 57 1.698 -1.129 7.472 1.00 0.00 C ATOM 880 C ALA A 57 1.807 0.366 7.163 1.00 0.00 C ATOM 881 O ALA A 57 2.784 1.011 7.538 1.00 0.00 O ATOM 882 CB ALA A 57 2.151 -2.002 6.300 1.00 0.00 C ATOM 0 H ALA A 57 -0.127 -2.119 7.188 1.00 0.00 H new ATOM 0 HA ALA A 57 2.361 -1.341 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.183 -1.761 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.083 -3.053 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.511 -1.815 5.438 1.00 0.00 H new ATOM 888 N ILE A 58 0.790 0.872 6.480 1.00 0.00 N ATOM 889 CA ILE A 58 0.759 2.278 6.116 1.00 0.00 C ATOM 890 C ILE A 58 0.608 3.125 7.381 1.00 0.00 C ATOM 891 O ILE A 58 1.367 4.069 7.595 1.00 0.00 O ATOM 892 CB ILE A 58 -0.327 2.537 5.070 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.023 1.791 3.769 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.520 4.037 4.839 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.311 1.302 3.103 1.00 0.00 C ATOM 0 H ILE A 58 -0.018 0.333 6.169 1.00 0.00 H new ATOM 0 HA ILE A 58 1.698 2.570 5.646 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.270 2.147 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.517 2.448 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.628 0.942 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.297 4.193 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.815 4.514 5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.415 4.474 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.066 0.775 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.836 0.626 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.949 2.156 2.875 1.00 0.00 H new ATOM 907 N ASN A 59 -0.377 2.757 8.187 1.00 0.00 N ATOM 908 CA ASN A 59 -0.638 3.471 9.425 1.00 0.00 C ATOM 909 C ASN A 59 0.549 3.288 10.374 1.00 0.00 C ATOM 910 O ASN A 59 0.809 4.142 11.220 1.00 0.00 O ATOM 911 CB ASN A 59 -1.888 2.929 10.122 1.00 0.00 C ATOM 912 CG ASN A 59 -3.121 3.758 9.758 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.030 4.868 9.260 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.276 3.159 10.035 1.00 0.00 N ATOM 0 H ASN A 59 -1.004 1.973 8.007 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.789 4.523 9.182 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.047 1.889 9.835 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.742 2.943 11.202 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.157 3.631 9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.281 2.228 10.452 1.00 0.00 H new ATOM 921 N GLU A 60 1.236 2.169 10.201 1.00 0.00 N ATOM 922 CA GLU A 60 2.389 1.863 11.031 1.00 0.00 C ATOM 923 C GLU A 60 3.508 2.876 10.780 1.00 0.00 C ATOM 924 O GLU A 60 4.497 2.907 11.510 1.00 0.00 O ATOM 925 CB GLU A 60 2.878 0.434 10.785 1.00 0.00 C ATOM 926 CG GLU A 60 2.499 -0.483 11.950 1.00 0.00 C ATOM 927 CD GLU A 60 3.627 -0.553 12.981 1.00 0.00 C ATOM 928 OE1 GLU A 60 4.788 -0.705 12.544 1.00 0.00 O ATOM 929 OE2 GLU A 60 3.303 -0.454 14.184 1.00 0.00 O ATOM 0 H GLU A 60 1.017 1.463 9.498 1.00 0.00 H new ATOM 0 HA GLU A 60 2.089 1.934 12.076 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.445 0.052 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.960 0.433 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.589 -0.116 12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.282 -1.483 11.575 1.00 0.00 H new ATOM 936 N LEU A 61 3.313 3.681 9.745 1.00 0.00 N ATOM 937 CA LEU A 61 4.293 4.692 9.389 1.00 0.00 C ATOM 938 C LEU A 61 4.103 5.918 10.285 1.00 0.00 C ATOM 939 O LEU A 61 4.875 6.135 11.218 1.00 0.00 O ATOM 940 CB LEU A 61 4.219 5.007 7.894 1.00 0.00 C ATOM 941 CG LEU A 61 4.273 3.802 6.952 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.408 4.251 5.495 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.386 2.836 7.360 1.00 0.00 C ATOM 0 H LEU A 61 2.491 3.653 9.142 1.00 0.00 H new ATOM 0 HA LEU A 61 5.303 4.321 9.564 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.294 5.552 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.041 5.677 7.643 1.00 0.00 H new ATOM 0 HG LEU A 61 3.331 3.260 7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.444 3.376 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.552 4.869 5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.324 4.829 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.402 1.989 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.346 3.351 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.204 2.479 8.374 1.00 0.00 H new ATOM 955 N GLY A 62 3.071 6.687 9.971 1.00 0.00 N ATOM 956 CA GLY A 62 2.770 7.885 10.736 1.00 0.00 C ATOM 957 C GLY A 62 1.758 8.765 10.000 1.00 0.00 C ATOM 958 O GLY A 62 1.878 9.990 10.002 1.00 0.00 O ATOM 0 H GLY A 62 2.433 6.504 9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.373 7.607 11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.686 8.448 10.913 1.00 0.00 H new ATOM 962 N TYR A 63 0.784 8.108 9.389 1.00 0.00 N ATOM 963 CA TYR A 63 -0.248 8.815 8.650 1.00 0.00 C ATOM 964 C TYR A 63 -1.598 8.107 8.779 1.00 0.00 C ATOM 965 O TYR A 63 -1.716 7.113 9.494 1.00 0.00 O ATOM 966 CB TYR A 63 0.189 8.791 7.185 1.00 0.00 C ATOM 967 CG TYR A 63 1.704 8.691 6.989 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.524 9.713 7.422 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.249 7.579 6.380 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.949 9.619 7.238 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.674 7.485 6.196 1.00 0.00 C ATOM 972 CZ TYR A 63 4.454 8.510 6.634 1.00 0.00 C ATOM 973 OH TYR A 63 5.800 8.421 6.461 1.00 0.00 O ATOM 0 H TYR A 63 0.687 7.093 9.390 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.367 9.828 9.033 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.288 7.946 6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.172 9.695 6.694 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.097 10.583 7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.607 6.779 6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.602 10.411 7.572 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.114 6.620 5.721 1.00 0.00 H new ATOM 0 HH TYR A 63 6.220 8.138 7.300 1.00 0.00 H new ATOM 983 N GLN A 64 -2.583 8.646 8.075 1.00 0.00 N ATOM 984 CA GLN A 64 -3.920 8.078 8.102 1.00 0.00 C ATOM 985 C GLN A 64 -4.204 7.327 6.799 1.00 0.00 C ATOM 986 O GLN A 64 -4.202 7.922 5.723 1.00 0.00 O ATOM 987 CB GLN A 64 -4.972 9.161 8.351 1.00 0.00 C ATOM 988 CG GLN A 64 -5.894 8.774 9.509 1.00 0.00 C ATOM 989 CD GLN A 64 -5.535 9.551 10.777 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.407 10.765 10.778 1.00 0.00 O ATOM 991 NE2 GLN A 64 -5.381 8.786 11.855 1.00 0.00 N ATOM 0 H GLN A 64 -2.482 9.470 7.483 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.975 7.368 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.479 10.107 8.574 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.562 9.315 7.447 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.930 8.974 9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.816 7.704 9.699 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.503 7.776 11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.141 9.210 12.751 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.441 6.031 6.940 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.725 5.193 5.788 1.00 0.00 C ATOM 1002 C ALA A 65 -5.936 4.308 6.092 1.00 0.00 C ATOM 1003 O ALA A 65 -6.166 3.940 7.243 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.482 4.376 5.430 1.00 0.00 C ATOM 0 H ALA A 65 -4.442 5.541 7.835 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.973 5.806 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.696 3.748 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.659 5.050 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.204 3.747 6.276 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.678 3.993 5.041 1.00 0.00 N ATOM 1011 CA GLU A 66 -7.859 3.158 5.182 1.00 0.00 C ATOM 1012 C GLU A 66 -8.166 2.446 3.863 1.00 0.00 C ATOM 1013 O GLU A 66 -8.200 3.076 2.807 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.059 3.982 5.653 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.272 3.827 7.160 1.00 0.00 C ATOM 1016 CD GLU A 66 -9.802 2.432 7.498 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.930 2.129 7.051 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -9.068 1.700 8.197 1.00 0.00 O ATOM 0 H GLU A 66 -6.485 4.301 4.088 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.658 2.402 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.901 5.033 5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.955 3.663 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.332 3.999 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.975 4.582 7.511 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.383 1.144 3.966 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.686 0.340 2.795 1.00 0.00 C ATOM 1027 C VAL A 67 -10.073 0.716 2.269 1.00 0.00 C ATOM 1028 O VAL A 67 -11.059 0.647 3.001 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.559 -1.147 3.133 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.917 -1.742 3.512 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.926 -1.920 1.974 1.00 0.00 C ATOM 0 H VAL A 67 -8.355 0.625 4.844 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.970 0.541 1.999 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.901 -1.239 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.798 -2.800 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.313 -1.219 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.608 -1.632 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.847 -2.974 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.547 -1.816 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.932 -1.522 1.771 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.104 1.106 1.003 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.354 1.494 0.370 1.00 0.00 C ATOM 1043 C ILE A 68 -11.679 0.508 -0.753 1.00 0.00 C ATOM 1044 O ILE A 68 -12.090 -0.622 -0.493 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.292 2.952 -0.090 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -11.863 3.888 0.976 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -11.987 3.130 -1.441 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -11.126 3.719 2.307 1.00 0.00 C ATOM 0 H ILE A 68 -9.284 1.162 0.399 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.175 1.445 1.085 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.245 3.223 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.781 4.921 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.924 3.682 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.929 4.175 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.495 2.507 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.033 2.835 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.552 4.396 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.231 2.691 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.070 3.950 2.170 1.00 0.00 H new