USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot -142:sc= 0.54 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.517 K(o=1.1,f=0.082) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc=-0.00389 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0176 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 0.9 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.227 (180deg=-0.876) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.48 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 1.34 (180deg=0.748) USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.109 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 2.47 (180deg=2.19) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0.0356 (180deg=-0.0708) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0186) USER MOD Single : A 40 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.1) USER MOD Single : A 41 GLN : amide:sc= 0.49 K(o=0.49,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 55 THR OG1 : rot -48:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.219 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00489) USER MOD Single : A 65 SER OG : rot 83:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.223 K(o=0.22,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.110 -7.104 -4.953 1.00 9.67 N ATOM 2 CA MET A 1 11.157 -6.851 -3.480 1.00 10.38 C ATOM 3 C MET A 1 9.787 -7.267 -2.952 1.00 9.62 C ATOM 4 O MET A 1 8.781 -6.651 -3.323 1.00 9.62 O ATOM 5 CB MET A 1 11.461 -5.336 -3.203 1.00 13.77 C ATOM 6 CG MET A 1 11.447 -4.965 -1.764 1.00 16.29 C ATOM 7 SD MET A 1 12.059 -3.294 -1.511 1.00 17.17 S ATOM 8 CE MET A 1 10.437 -2.553 -1.953 1.00 16.11 C ATOM 0 H1 MET A 1 12.009 -6.808 -5.385 1.00 9.67 H new ATOM 0 H2 MET A 1 10.960 -8.118 -5.126 1.00 9.67 H new ATOM 0 H3 MET A 1 10.329 -6.562 -5.374 1.00 9.67 H new ATOM 0 HA MET A 1 11.947 -7.413 -2.983 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.438 -5.091 -3.620 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.727 -4.727 -3.731 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.431 -5.045 -1.376 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.060 -5.668 -1.200 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.415 -1.510 -1.636 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.294 -2.607 -3.032 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.638 -3.101 -1.453 1.00 16.11 H new ATOM 20 N GLN A 2 9.798 -8.289 -2.060 1.00 9.27 N ATOM 21 CA GLN A 2 8.596 -8.769 -1.428 1.00 9.07 C ATOM 22 C GLN A 2 8.162 -7.887 -0.262 1.00 8.72 C ATOM 23 O GLN A 2 8.937 -7.593 0.627 1.00 8.22 O ATOM 24 CB GLN A 2 8.840 -10.214 -0.976 1.00 14.46 C ATOM 25 CG GLN A 2 7.896 -10.757 0.121 1.00 17.01 C ATOM 26 CD GLN A 2 7.994 -12.264 0.260 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.082 -12.982 -0.179 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.087 -12.804 0.808 1.00 19.49 N ATOM 0 H GLN A 2 10.644 -8.783 -1.777 1.00 9.27 H new ATOM 0 HA GLN A 2 7.776 -8.734 -2.145 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.760 -10.863 -1.848 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.865 -10.291 -0.614 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.141 -10.288 1.074 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.868 -10.481 -0.116 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.829 -12.202 1.165 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.179 -13.818 0.869 1.00 19.49 H new ATOM 37 N ILE A 3 6.837 -7.441 -0.275 1.00 5.87 N ATOM 38 CA ILE A 3 6.302 -6.761 0.882 1.00 5.07 C ATOM 39 C ILE A 3 4.951 -7.395 1.352 1.00 4.01 C ATOM 40 O ILE A 3 4.309 -8.136 0.592 1.00 4.61 O ATOM 41 CB ILE A 3 6.195 -5.243 0.683 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.165 -4.805 -0.473 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.535 -4.561 0.442 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.847 -3.303 -0.430 1.00 10.83 C ATOM 0 H ILE A 3 6.189 -7.555 -1.054 1.00 5.87 H new ATOM 0 HA ILE A 3 7.022 -6.906 1.688 1.00 5.07 H new ATOM 0 HB ILE A 3 5.799 -4.899 1.638 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.586 -5.058 -1.446 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.241 -5.373 -0.368 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.380 -3.490 0.310 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.189 -4.730 1.298 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.997 -4.974 -0.455 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.148 -3.056 -1.229 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.401 -3.053 0.533 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.766 -2.733 -0.563 1.00 10.83 H new ATOM 56 N PHE A 4 4.655 -7.255 2.635 1.00 4.55 N ATOM 57 CA PHE A 4 3.401 -7.817 3.179 1.00 4.68 C ATOM 58 C PHE A 4 2.447 -6.668 3.499 1.00 5.30 C ATOM 59 O PHE A 4 2.880 -5.637 4.042 1.00 5.58 O ATOM 60 CB PHE A 4 3.572 -8.713 4.448 1.00 4.83 C ATOM 61 CG PHE A 4 4.538 -9.847 4.167 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.258 -10.787 3.228 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.665 -9.928 4.960 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.188 -11.811 2.968 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.567 -10.990 4.835 1.00 10.61 C ATOM 66 CZ PHE A 4 6.376 -11.878 3.757 1.00 8.90 C ATOM 0 H PHE A 4 5.241 -6.771 3.315 1.00 4.55 H new ATOM 0 HA PHE A 4 3.007 -8.478 2.407 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.939 -8.111 5.279 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.605 -9.116 4.749 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.326 -10.749 2.683 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.854 -9.156 5.691 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.006 -12.533 2.186 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.377 -11.124 5.536 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.133 -12.613 3.527 1.00 8.90 H new ATOM 76 N VAL A 5 1.187 -6.790 3.201 1.00 4.44 N ATOM 77 CA VAL A 5 0.172 -5.817 3.522 1.00 3.87 C ATOM 78 C VAL A 5 -0.758 -6.511 4.453 1.00 4.93 C ATOM 79 O VAL A 5 -1.202 -7.619 4.196 1.00 6.84 O ATOM 80 CB VAL A 5 -0.491 -5.276 2.270 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.537 -4.168 2.639 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.579 -4.678 1.333 1.00 9.13 C ATOM 0 H VAL A 5 0.818 -7.603 2.707 1.00 4.44 H new ATOM 0 HA VAL A 5 0.579 -4.927 4.001 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.005 -6.095 1.767 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.003 -3.790 1.729 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.302 -4.592 3.290 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.034 -3.350 3.155 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.100 -4.290 0.434 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.100 -3.869 1.845 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.295 -5.452 1.057 1.00 9.13 H new ATOM 92 N LYS A 6 -1.144 -5.830 5.525 1.00 6.04 N ATOM 93 CA LYS A 6 -2.146 -6.353 6.421 1.00 6.12 C ATOM 94 C LYS A 6 -3.458 -5.550 6.317 1.00 6.57 C ATOM 95 O LYS A 6 -3.504 -4.337 6.029 1.00 5.76 O ATOM 96 CB LYS A 6 -1.606 -6.194 7.884 1.00 7.45 C ATOM 97 CG LYS A 6 -0.284 -6.955 8.194 1.00 11.12 C ATOM 98 CD LYS A 6 -0.557 -8.459 8.518 1.00 14.54 C ATOM 99 CE LYS A 6 0.715 -9.189 9.034 1.00 18.84 C ATOM 100 NZ LYS A 6 0.341 -10.616 9.200 1.00 20.55 N ATOM 0 H LYS A 6 -0.774 -4.916 5.788 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.345 -7.393 6.163 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.450 -5.134 8.082 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.374 -6.538 8.576 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.389 -6.881 7.340 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.219 -6.484 9.039 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.344 -8.530 9.269 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.924 -8.961 7.623 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.538 -9.083 8.327 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.051 -8.763 9.979 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.187 -11.211 9.093 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.066 -10.760 10.146 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.360 -10.877 8.478 1.00 20.55 H new ATOM 114 N THR A 7 -4.551 -6.288 6.533 1.00 7.41 N ATOM 115 CA THR A 7 -5.945 -5.766 6.464 1.00 7.48 C ATOM 116 C THR A 7 -6.599 -5.831 7.862 1.00 8.75 C ATOM 117 O THR A 7 -6.129 -6.506 8.772 1.00 8.58 O ATOM 118 CB THR A 7 -6.825 -6.397 5.410 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.434 -7.662 5.796 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.067 -6.609 4.141 1.00 9.17 C ATOM 0 H THR A 7 -4.506 -7.280 6.765 1.00 7.41 H new ATOM 0 HA THR A 7 -5.855 -4.729 6.139 1.00 7.48 H new ATOM 0 HB THR A 7 -7.636 -5.681 5.274 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.986 -7.998 5.059 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.722 -7.064 3.398 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.706 -5.650 3.768 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.219 -7.267 4.329 1.00 9.17 H new ATOM 128 N LEU A 8 -7.751 -5.153 8.034 1.00 9.84 N ATOM 129 CA LEU A 8 -8.672 -5.129 9.146 1.00 14.15 C ATOM 130 C LEU A 8 -9.148 -6.472 9.672 1.00 17.37 C ATOM 131 O LEU A 8 -9.070 -6.850 10.837 1.00 17.01 O ATOM 132 CB LEU A 8 -9.918 -4.269 8.868 1.00 16.63 C ATOM 133 CG LEU A 8 -10.873 -4.148 10.049 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.248 -3.344 11.173 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.084 -3.347 9.608 1.00 18.59 C ATOM 0 H LEU A 8 -8.082 -4.537 7.292 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.048 -4.689 9.924 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.597 -3.270 8.572 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.457 -4.695 8.022 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.121 -5.155 10.383 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.950 -3.273 12.004 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.336 -3.837 11.510 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.007 -2.343 10.814 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.779 -3.250 10.442 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.766 -2.356 9.283 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.577 -3.859 8.782 1.00 18.59 H new ATOM 147 N THR A 9 -9.562 -7.344 8.788 1.00 18.33 N ATOM 148 CA THR A 9 -10.222 -8.599 9.211 1.00 19.24 C ATOM 149 C THR A 9 -9.233 -9.785 9.247 1.00 19.48 C ATOM 150 O THR A 9 -9.593 -10.947 9.400 1.00 23.14 O ATOM 151 CB THR A 9 -11.281 -8.971 8.211 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.828 -8.840 6.866 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.451 -8.039 8.340 1.00 19.70 C ATOM 0 H THR A 9 -9.466 -7.231 7.779 1.00 18.33 H new ATOM 0 HA THR A 9 -10.631 -8.420 10.205 1.00 19.24 H new ATOM 0 HB THR A 9 -11.544 -10.008 8.419 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.548 -9.094 6.252 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.216 -8.313 7.613 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.864 -8.111 9.346 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.124 -7.016 8.154 1.00 19.70 H new ATOM 161 N GLY A 10 -7.873 -9.481 9.205 1.00 19.43 N ATOM 162 CA GLY A 10 -6.927 -10.516 9.446 1.00 18.74 C ATOM 163 C GLY A 10 -6.420 -11.171 8.227 1.00 17.62 C ATOM 164 O GLY A 10 -5.937 -12.325 8.270 1.00 19.74 O ATOM 0 H GLY A 10 -7.480 -8.560 9.012 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.084 -10.100 9.998 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.386 -11.270 10.085 1.00 18.74 H new ATOM 168 N LYS A 11 -6.456 -10.492 7.082 1.00 13.56 N ATOM 169 CA LYS A 11 -5.813 -10.866 5.830 1.00 11.91 C ATOM 170 C LYS A 11 -4.367 -10.346 5.705 1.00 10.18 C ATOM 171 O LYS A 11 -4.139 -9.196 6.068 1.00 9.10 O ATOM 172 CB LYS A 11 -6.679 -10.584 4.541 1.00 13.43 C ATOM 173 CG LYS A 11 -6.240 -11.406 3.316 1.00 16.69 C ATOM 174 CD LYS A 11 -7.154 -11.184 2.157 1.00 17.92 C ATOM 175 CE LYS A 11 -6.869 -12.221 1.040 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.913 -12.019 -0.064 1.00 21.93 N ATOM 0 H LYS A 11 -6.967 -9.613 7.002 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.739 -11.952 5.884 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.724 -10.803 4.760 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.619 -9.523 4.297 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.223 -11.132 3.037 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.226 -12.465 3.573 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.191 -11.266 2.482 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.020 -10.175 1.768 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.863 -12.088 0.643 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.924 -13.235 1.437 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.575 -12.455 -0.946 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.809 -12.464 0.220 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.064 -11.001 -0.217 1.00 21.93 H new ATOM 190 N THR A 12 -3.454 -11.161 5.183 1.00 9.63 N ATOM 191 CA THR A 12 -2.125 -10.624 4.899 1.00 9.85 C ATOM 192 C THR A 12 -1.855 -10.891 3.438 1.00 11.66 C ATOM 193 O THR A 12 -1.874 -12.086 3.035 1.00 12.33 O ATOM 194 CB THR A 12 -0.995 -11.280 5.657 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.293 -11.285 7.030 1.00 10.91 O ATOM 196 CG2 THR A 12 0.304 -10.518 5.411 1.00 9.63 C ATOM 0 H THR A 12 -3.596 -12.146 4.957 1.00 9.63 H new ATOM 0 HA THR A 12 -2.144 -9.574 5.191 1.00 9.85 H new ATOM 0 HB THR A 12 -0.875 -12.306 5.310 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.166 -12.188 7.389 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.116 -10.996 5.960 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.534 -10.525 4.345 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.192 -9.489 5.751 1.00 9.63 H new ATOM 204 N ILE A 13 -1.616 -9.856 2.575 1.00 10.42 N ATOM 205 CA ILE A 13 -1.458 -9.851 1.132 1.00 11.84 C ATOM 206 C ILE A 13 0.037 -10.014 1.024 1.00 10.55 C ATOM 207 O ILE A 13 0.815 -9.513 1.827 1.00 11.92 O ATOM 208 CB ILE A 13 -2.066 -8.706 0.388 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.400 -8.241 1.068 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.156 -9.097 -1.095 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.029 -6.973 0.445 1.00 16.46 C ATOM 0 H ILE A 13 -1.523 -8.909 2.943 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.026 -10.632 0.625 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.445 -7.811 0.430 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.124 -9.054 1.014 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.209 -8.055 2.125 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.597 -8.277 -1.661 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.157 -9.306 -1.477 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.778 -9.986 -1.200 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.947 -6.724 0.977 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.327 -6.143 0.523 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.256 -7.158 -0.605 1.00 16.46 H new ATOM 223 N THR A 14 0.509 -10.656 -0.029 1.00 9.39 N ATOM 224 CA THR A 14 1.921 -10.798 -0.339 1.00 9.63 C ATOM 225 C THR A 14 2.026 -10.261 -1.726 1.00 11.20 C ATOM 226 O THR A 14 1.390 -10.695 -2.669 1.00 11.63 O ATOM 227 CB THR A 14 2.440 -12.207 -0.341 1.00 10.38 C ATOM 228 OG1 THR A 14 2.298 -12.726 1.005 1.00 16.30 O ATOM 229 CG2 THR A 14 4.020 -12.222 -0.697 1.00 11.66 C ATOM 0 H THR A 14 -0.098 -11.107 -0.713 1.00 9.39 H new ATOM 0 HA THR A 14 2.511 -10.288 0.423 1.00 9.63 H new ATOM 0 HB THR A 14 1.891 -12.797 -1.075 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.998 -12.348 1.577 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.384 -13.250 -0.695 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.175 -11.784 -1.683 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.566 -11.642 0.047 1.00 11.66 H new ATOM 237 N LEU A 15 2.867 -9.147 -1.811 1.00 8.29 N ATOM 238 CA LEU A 15 3.161 -8.474 -3.077 1.00 9.03 C ATOM 239 C LEU A 15 4.622 -8.667 -3.390 1.00 8.59 C ATOM 240 O LEU A 15 5.413 -8.970 -2.500 1.00 7.79 O ATOM 241 CB LEU A 15 2.854 -6.973 -2.897 1.00 11.08 C ATOM 242 CG LEU A 15 1.441 -6.540 -2.457 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.357 -5.032 -2.601 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.389 -7.210 -3.363 1.00 15.27 C ATOM 0 H LEU A 15 3.330 -8.730 -1.004 1.00 8.29 H new ATOM 0 HA LEU A 15 2.561 -8.879 -3.892 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.560 -6.579 -2.166 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.068 -6.479 -3.845 1.00 11.08 H new ATOM 0 HG LEU A 15 1.251 -6.837 -1.426 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.367 -4.692 -2.297 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.111 -4.564 -1.969 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.532 -4.755 -3.641 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.609 -6.903 -3.050 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.554 -6.908 -4.397 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.477 -8.293 -3.283 1.00 15.27 H new ATOM 256 N GLU A 16 4.971 -8.456 -4.669 1.00 11.04 N ATOM 257 CA GLU A 16 6.285 -8.260 -5.238 1.00 11.50 C ATOM 258 C GLU A 16 6.312 -6.919 -5.907 1.00 10.13 C ATOM 259 O GLU A 16 5.533 -6.651 -6.778 1.00 9.83 O ATOM 260 CB GLU A 16 6.569 -9.446 -6.078 1.00 17.22 C ATOM 261 CG GLU A 16 8.110 -9.485 -6.465 1.00 23.33 C ATOM 262 CD GLU A 16 9.003 -10.081 -5.381 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.601 -11.051 -4.670 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.125 -9.567 -5.252 1.00 28.86 O ATOM 0 H GLU A 16 4.254 -8.417 -5.393 1.00 11.04 H new ATOM 0 HA GLU A 16 7.100 -8.211 -4.516 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.298 -10.355 -5.541 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.960 -9.416 -6.981 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.230 -10.064 -7.381 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.446 -8.471 -6.683 1.00 23.33 H new ATOM 271 N VAL A 17 7.209 -6.063 -5.512 1.00 8.99 N ATOM 272 CA VAL A 17 7.310 -4.657 -5.853 1.00 8.85 C ATOM 273 C VAL A 17 8.767 -4.338 -6.145 1.00 8.04 C ATOM 274 O VAL A 17 9.648 -5.061 -5.761 1.00 8.99 O ATOM 275 CB VAL A 17 6.720 -3.694 -4.819 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.185 -3.825 -4.784 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.320 -4.000 -3.435 1.00 10.54 C ATOM 0 H VAL A 17 7.961 -6.349 -4.885 1.00 8.99 H new ATOM 0 HA VAL A 17 6.691 -4.496 -6.736 1.00 8.85 H new ATOM 0 HB VAL A 17 6.968 -2.669 -5.096 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.778 -3.135 -4.045 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.777 -3.587 -5.766 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.913 -4.846 -4.516 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.901 -3.315 -2.697 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.082 -5.026 -3.154 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.402 -3.876 -3.472 1.00 10.54 H new ATOM 287 N GLU A 18 9.003 -3.076 -6.655 1.00 7.29 N ATOM 288 CA GLU A 18 10.319 -2.506 -6.616 1.00 7.08 C ATOM 289 C GLU A 18 10.377 -1.312 -5.628 1.00 6.45 C ATOM 290 O GLU A 18 9.362 -0.634 -5.411 1.00 5.28 O ATOM 291 CB GLU A 18 10.786 -2.053 -8.063 1.00 10.28 C ATOM 292 CG GLU A 18 10.863 -3.178 -9.101 1.00 12.65 C ATOM 293 CD GLU A 18 12.012 -4.114 -8.929 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.193 -3.726 -8.873 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.820 -5.353 -8.923 1.00 18.17 O ATOM 0 H GLU A 18 8.290 -2.482 -7.079 1.00 7.29 H new ATOM 0 HA GLU A 18 11.004 -3.276 -6.262 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.099 -1.289 -8.427 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.768 -1.586 -7.982 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.937 -3.752 -9.063 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.921 -2.733 -10.094 1.00 12.65 H new ATOM 302 N PRO A 19 11.472 -0.848 -5.164 1.00 7.24 N ATOM 303 CA PRO A 19 11.537 0.365 -4.299 1.00 7.07 C ATOM 304 C PRO A 19 11.089 1.583 -5.098 1.00 6.65 C ATOM 305 O PRO A 19 10.643 2.588 -4.512 1.00 6.37 O ATOM 306 CB PRO A 19 13.060 0.540 -4.020 1.00 7.61 C ATOM 307 CG PRO A 19 13.730 -0.340 -5.042 1.00 8.16 C ATOM 308 CD PRO A 19 12.776 -1.486 -5.296 1.00 7.49 C ATOM 0 HA PRO A 19 10.919 0.270 -3.406 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.367 1.580 -4.128 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.316 0.236 -3.005 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.930 0.212 -5.960 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.689 -0.705 -4.674 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.917 -1.919 -6.286 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.908 -2.292 -4.574 1.00 7.49 H new ATOM 316 N SER A 20 11.178 1.584 -6.451 1.00 6.80 N ATOM 317 CA SER A 20 10.871 2.695 -7.377 1.00 6.28 C ATOM 318 C SER A 20 9.402 2.948 -7.655 1.00 8.45 C ATOM 319 O SER A 20 8.989 4.100 -7.975 1.00 7.26 O ATOM 320 CB SER A 20 11.381 2.347 -8.834 1.00 8.57 C ATOM 321 OG SER A 20 11.087 0.986 -9.235 1.00 11.13 O ATOM 0 H SER A 20 11.487 0.752 -6.954 1.00 6.80 H new ATOM 0 HA SER A 20 11.334 3.543 -6.873 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.924 3.035 -9.545 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.458 2.508 -8.882 1.00 8.57 H new ATOM 0 HG SER A 20 11.424 0.832 -10.142 1.00 11.13 H new ATOM 327 N ASP A 21 8.532 1.921 -7.411 1.00 7.50 N ATOM 328 CA ASP A 21 7.087 2.020 -7.528 1.00 7.70 C ATOM 329 C ASP A 21 6.496 3.027 -6.587 1.00 7.08 C ATOM 330 O ASP A 21 6.679 3.015 -5.406 1.00 8.11 O ATOM 331 CB ASP A 21 6.312 0.650 -7.272 1.00 11.00 C ATOM 332 CG ASP A 21 6.536 -0.431 -8.322 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.329 -0.165 -9.522 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.922 -1.530 -7.895 1.00 14.36 O ATOM 0 H ASP A 21 8.846 0.994 -7.124 1.00 7.50 H new ATOM 0 HA ASP A 21 6.950 2.325 -8.565 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.613 0.258 -6.301 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.244 0.861 -7.214 1.00 11.00 H new ATOM 339 N THR A 22 5.664 3.927 -7.141 1.00 5.37 N ATOM 340 CA THR A 22 4.821 4.757 -6.351 1.00 6.01 C ATOM 341 C THR A 22 3.890 3.971 -5.543 1.00 8.01 C ATOM 342 O THR A 22 3.533 2.812 -5.805 1.00 8.11 O ATOM 343 CB THR A 22 3.988 5.818 -7.083 1.00 8.92 C ATOM 344 OG1 THR A 22 3.193 5.261 -8.131 1.00 10.22 O ATOM 345 CG2 THR A 22 4.799 7.022 -7.699 1.00 9.65 C ATOM 0 H THR A 22 5.578 4.077 -8.146 1.00 5.37 H new ATOM 0 HA THR A 22 5.555 5.295 -5.751 1.00 6.01 H new ATOM 0 HB THR A 22 3.366 6.213 -6.279 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.176 5.878 -8.892 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.111 7.710 -8.192 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.330 7.547 -6.905 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.516 6.643 -8.427 1.00 9.65 H new ATOM 353 N ILE A 23 3.380 4.577 -4.449 1.00 8.32 N ATOM 354 CA ILE A 23 2.285 4.140 -3.650 1.00 9.92 C ATOM 355 C ILE A 23 1.007 3.965 -4.403 1.00 10.01 C ATOM 356 O ILE A 23 0.332 2.963 -4.339 1.00 8.71 O ATOM 357 CB ILE A 23 2.092 4.852 -2.372 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.374 5.191 -1.621 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.961 4.245 -1.356 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.204 4.006 -1.121 1.00 12.30 C ATOM 0 H ILE A 23 3.776 5.450 -4.100 1.00 8.32 H new ATOM 0 HA ILE A 23 2.608 3.142 -3.354 1.00 9.92 H new ATOM 0 HB ILE A 23 1.674 5.789 -2.740 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.002 5.797 -2.274 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.114 5.812 -0.764 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.916 4.856 -0.455 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.012 4.252 -1.848 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.224 3.222 -1.088 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.090 4.375 -0.604 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.606 3.407 -0.435 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.508 3.392 -1.968 1.00 12.30 H new ATOM 372 N GLU A 24 0.756 4.875 -5.349 1.00 9.54 N ATOM 373 CA GLU A 24 -0.410 4.701 -6.180 1.00 11.81 C ATOM 374 C GLU A 24 -0.276 3.389 -7.083 1.00 11.14 C ATOM 375 O GLU A 24 -1.196 2.635 -7.318 1.00 10.62 O ATOM 376 CB GLU A 24 -0.658 5.872 -7.141 1.00 19.24 C ATOM 377 CG GLU A 24 -2.023 5.756 -7.932 1.00 27.76 C ATOM 378 CD GLU A 24 -2.457 6.961 -8.677 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.789 8.002 -8.048 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.370 6.965 -9.954 1.00 34.80 O ATOM 0 H GLU A 24 1.323 5.700 -5.544 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.242 4.630 -5.480 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.652 6.804 -6.576 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.164 5.927 -7.855 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.940 4.930 -8.638 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.807 5.492 -7.223 1.00 27.76 H new ATOM 387 N ASN A 25 0.945 3.053 -7.558 1.00 9.43 N ATOM 388 CA ASN A 25 1.225 1.836 -8.252 1.00 10.96 C ATOM 389 C ASN A 25 1.083 0.563 -7.403 1.00 9.68 C ATOM 390 O ASN A 25 0.675 -0.513 -7.844 1.00 9.33 O ATOM 391 CB ASN A 25 2.644 1.868 -8.822 1.00 16.78 C ATOM 392 CG ASN A 25 2.528 2.259 -10.250 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.158 1.493 -11.166 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.862 3.509 -10.531 1.00 24.70 N ATOM 0 H ASN A 25 1.762 3.654 -7.452 1.00 9.43 H new ATOM 0 HA ASN A 25 0.471 1.784 -9.037 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.263 2.580 -8.276 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.120 0.892 -8.727 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.817 3.845 -11.493 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.164 4.136 -9.785 1.00 24.70 H new ATOM 401 N VAL A 26 1.498 0.601 -6.109 1.00 6.52 N ATOM 402 CA VAL A 26 1.213 -0.415 -5.127 1.00 5.53 C ATOM 403 C VAL A 26 -0.244 -0.632 -5.010 1.00 4.42 C ATOM 404 O VAL A 26 -0.727 -1.785 -4.948 1.00 3.40 O ATOM 405 CB VAL A 26 1.867 -0.138 -3.750 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.615 -1.272 -2.717 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.400 -0.074 -3.945 1.00 8.12 C ATOM 0 H VAL A 26 2.053 1.371 -5.736 1.00 6.52 H new ATOM 0 HA VAL A 26 1.671 -1.337 -5.486 1.00 5.53 H new ATOM 0 HB VAL A 26 1.432 0.789 -3.376 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.098 -1.019 -1.773 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.543 -1.386 -2.556 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.027 -2.207 -3.096 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.881 0.120 -2.986 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.756 -1.024 -4.343 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.645 0.727 -4.643 1.00 8.12 H new ATOM 417 N LYS A 27 -1.088 0.390 -5.000 1.00 2.64 N ATOM 418 CA LYS A 27 -2.542 0.304 -5.146 1.00 4.14 C ATOM 419 C LYS A 27 -3.028 -0.426 -6.367 1.00 5.58 C ATOM 420 O LYS A 27 -4.055 -1.143 -6.294 1.00 4.11 O ATOM 421 CB LYS A 27 -3.288 1.620 -5.063 1.00 3.97 C ATOM 422 CG LYS A 27 -2.943 2.423 -3.778 1.00 7.45 C ATOM 423 CD LYS A 27 -3.625 3.769 -3.539 1.00 9.02 C ATOM 424 CE LYS A 27 -3.003 4.475 -2.266 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.737 5.662 -1.744 1.00 15.47 N ATOM 0 H LYS A 27 -0.766 1.351 -4.884 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.780 -0.289 -4.263 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.051 2.224 -5.939 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.361 1.428 -5.090 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.165 1.785 -2.922 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.867 2.595 -3.777 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.504 4.407 -4.414 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.696 3.623 -3.397 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.932 3.738 -1.466 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.985 4.781 -2.508 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.330 5.947 -0.830 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.653 6.447 -2.421 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.741 5.421 -1.616 1.00 15.47 H new ATOM 439 N ALA A 28 -2.350 -0.331 -7.547 1.00 6.61 N ATOM 440 CA ALA A 28 -2.681 -1.141 -8.639 1.00 7.74 C ATOM 441 C ALA A 28 -2.520 -2.660 -8.525 1.00 9.17 C ATOM 442 O ALA A 28 -3.362 -3.455 -8.867 1.00 11.45 O ATOM 443 CB ALA A 28 -1.781 -0.632 -9.786 1.00 7.68 C ATOM 0 H ALA A 28 -1.579 0.315 -7.715 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.759 -1.044 -8.770 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.975 -1.214 -10.687 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.997 0.419 -9.979 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.734 -0.741 -9.503 1.00 7.68 H new ATOM 449 N LYS A 29 -1.341 -3.053 -7.805 1.00 8.96 N ATOM 450 CA LYS A 29 -1.003 -4.386 -7.498 1.00 7.90 C ATOM 451 C LYS A 29 -2.055 -4.965 -6.551 1.00 6.92 C ATOM 452 O LYS A 29 -2.483 -6.123 -6.693 1.00 6.87 O ATOM 453 CB LYS A 29 0.485 -4.500 -7.006 1.00 10.28 C ATOM 454 CG LYS A 29 1.496 -4.618 -8.198 1.00 14.94 C ATOM 455 CD LYS A 29 2.895 -4.263 -7.640 1.00 19.69 C ATOM 456 CE LYS A 29 4.069 -4.567 -8.601 1.00 22.63 C ATOM 457 NZ LYS A 29 4.036 -5.868 -9.059 1.00 24.98 N ATOM 0 H LYS A 29 -0.658 -2.378 -7.462 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.027 -5.007 -8.394 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.735 -3.626 -6.405 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.586 -5.371 -6.359 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.490 -5.627 -8.611 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.220 -3.941 -9.007 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.913 -3.202 -7.390 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.051 -4.812 -6.712 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.031 -3.883 -9.449 1.00 22.63 H new ATOM 0 HE3 LYS A 29 5.014 -4.387 -8.088 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.900 -6.067 -9.603 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.979 -6.519 -8.250 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.205 -6.000 -9.670 1.00 24.98 H new ATOM 471 N ILE A 30 -2.502 -4.186 -5.595 1.00 4.57 N ATOM 472 CA ILE A 30 -3.618 -4.497 -4.694 1.00 5.58 C ATOM 473 C ILE A 30 -4.967 -4.657 -5.419 1.00 7.26 C ATOM 474 O ILE A 30 -5.695 -5.628 -5.184 1.00 9.46 O ATOM 475 CB ILE A 30 -3.668 -3.466 -3.494 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.449 -3.553 -2.516 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.959 -3.514 -2.713 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.444 -4.804 -1.654 1.00 2.00 C ATOM 0 H ILE A 30 -2.088 -3.274 -5.404 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.427 -5.483 -4.270 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.609 -2.500 -3.996 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.527 -3.519 -3.096 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.451 -2.676 -1.868 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.924 -2.782 -1.906 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.794 -3.284 -3.375 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.093 -4.511 -2.293 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.570 -4.794 -1.003 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.349 -4.831 -1.047 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.410 -5.686 -2.293 1.00 2.00 H new ATOM 490 N GLN A 31 -5.293 -3.749 -6.387 1.00 7.06 N ATOM 491 CA GLN A 31 -6.413 -3.889 -7.236 1.00 8.67 C ATOM 492 C GLN A 31 -6.484 -5.167 -8.030 1.00 10.90 C ATOM 493 O GLN A 31 -7.603 -5.727 -8.052 1.00 9.63 O ATOM 494 CB GLN A 31 -6.455 -2.702 -8.273 1.00 9.12 C ATOM 495 CG GLN A 31 -7.754 -2.622 -9.194 1.00 10.76 C ATOM 496 CD GLN A 31 -7.608 -1.519 -10.242 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.672 -0.738 -10.187 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.569 -1.483 -11.244 1.00 14.76 N ATOM 0 H GLN A 31 -4.749 -2.905 -6.564 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.259 -3.893 -6.549 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.364 -1.764 -7.725 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.580 -2.779 -8.919 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.915 -3.580 -9.688 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.632 -2.430 -8.577 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.332 -2.160 -11.243 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.512 -0.780 -11.981 1.00 14.76 H new ATOM 507 N ASP A 32 -5.376 -5.709 -8.555 1.00 10.93 N ATOM 508 CA ASP A 32 -5.285 -7.010 -9.208 1.00 14.01 C ATOM 509 C ASP A 32 -5.658 -8.113 -8.277 1.00 14.04 C ATOM 510 O ASP A 32 -6.628 -8.802 -8.498 1.00 13.39 O ATOM 511 CB ASP A 32 -3.889 -7.154 -9.804 1.00 18.01 C ATOM 512 CG ASP A 32 -3.872 -7.973 -11.113 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.636 -7.623 -12.044 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.117 -8.979 -11.170 1.00 26.29 O ATOM 0 H ASP A 32 -4.479 -5.224 -8.531 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.006 -7.079 -10.023 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.479 -6.163 -9.997 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.236 -7.633 -9.074 1.00 18.01 H new ATOM 519 N LYS A 33 -5.013 -8.257 -7.108 1.00 14.22 N ATOM 520 CA LYS A 33 -5.279 -9.315 -6.124 1.00 14.00 C ATOM 521 C LYS A 33 -6.701 -9.287 -5.527 1.00 12.37 C ATOM 522 O LYS A 33 -7.428 -10.339 -5.427 1.00 12.17 O ATOM 523 CB LYS A 33 -4.209 -9.232 -5.018 1.00 18.62 C ATOM 524 CG LYS A 33 -2.722 -9.456 -5.501 1.00 24.00 C ATOM 525 CD LYS A 33 -1.858 -10.493 -4.751 1.00 27.61 C ATOM 526 CE LYS A 33 -0.419 -10.775 -5.316 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.464 -11.218 -6.722 1.00 30.06 N ATOM 0 H LYS A 33 -4.271 -7.622 -6.814 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.223 -10.269 -6.648 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.276 -8.253 -4.543 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.441 -9.974 -4.254 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.754 -9.746 -6.551 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.208 -8.496 -5.451 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.756 -10.163 -3.717 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.404 -11.436 -4.732 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.186 -9.872 -5.238 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.068 -11.538 -4.709 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.498 -11.444 -7.046 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.063 -12.065 -6.800 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.859 -10.459 -7.313 1.00 30.06 H new ATOM 541 N GLU A 34 -7.153 -8.111 -5.136 1.00 10.11 N ATOM 542 CA GLU A 34 -8.239 -7.938 -4.233 1.00 10.07 C ATOM 543 C GLU A 34 -9.432 -7.260 -4.780 1.00 9.32 C ATOM 544 O GLU A 34 -10.493 -7.134 -4.136 1.00 11.61 O ATOM 545 CB GLU A 34 -7.770 -7.204 -3.004 1.00 14.77 C ATOM 546 CG GLU A 34 -6.628 -7.848 -2.166 1.00 18.75 C ATOM 547 CD GLU A 34 -6.946 -9.271 -1.706 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.979 -9.460 -0.997 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.220 -10.270 -2.007 1.00 25.19 O ATOM 0 H GLU A 34 -6.751 -7.230 -5.457 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.567 -8.951 -4.001 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.441 -6.212 -3.312 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.630 -7.066 -2.348 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.714 -7.861 -2.759 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.432 -7.226 -1.292 1.00 18.75 H new ATOM 556 N GLY A 35 -9.379 -6.733 -6.014 1.00 7.22 N ATOM 557 CA GLY A 35 -10.529 -6.060 -6.680 1.00 6.29 C ATOM 558 C GLY A 35 -10.744 -4.594 -6.232 1.00 6.93 C ATOM 559 O GLY A 35 -11.578 -3.881 -6.808 1.00 7.41 O ATOM 0 H GLY A 35 -8.537 -6.757 -6.589 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.374 -6.081 -7.759 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.437 -6.628 -6.477 1.00 6.29 H new ATOM 563 N ILE A 36 -9.955 -4.027 -5.303 1.00 5.86 N ATOM 564 CA ILE A 36 -10.326 -2.836 -4.579 1.00 6.07 C ATOM 565 C ILE A 36 -9.892 -1.679 -5.459 1.00 6.36 C ATOM 566 O ILE A 36 -8.785 -1.650 -6.013 1.00 6.18 O ATOM 567 CB ILE A 36 -9.525 -2.628 -3.259 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.704 -3.797 -2.290 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.063 -1.428 -2.434 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.640 -3.921 -1.219 1.00 9.49 C ATOM 0 H ILE A 36 -9.040 -4.397 -5.044 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.388 -2.907 -4.343 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.496 -2.496 -3.594 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.675 -3.699 -1.804 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.727 -4.723 -2.865 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.475 -1.320 -1.523 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.986 -0.516 -3.026 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.107 -1.604 -2.174 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.860 -4.780 -0.586 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.665 -4.056 -1.688 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.628 -3.016 -0.612 1.00 9.49 H new ATOM 582 N PRO A 37 -10.678 -0.631 -5.658 1.00 8.65 N ATOM 583 CA PRO A 37 -10.230 0.499 -6.393 1.00 9.18 C ATOM 584 C PRO A 37 -9.004 1.308 -5.795 1.00 9.85 C ATOM 585 O PRO A 37 -9.092 1.546 -4.604 1.00 8.51 O ATOM 586 CB PRO A 37 -11.508 1.378 -6.513 1.00 11.42 C ATOM 587 CG PRO A 37 -12.621 0.398 -6.367 1.00 9.27 C ATOM 588 CD PRO A 37 -12.077 -0.562 -5.301 1.00 8.33 C ATOM 0 HA PRO A 37 -9.807 0.174 -7.343 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.543 2.143 -5.737 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.551 1.894 -7.472 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.546 0.878 -6.047 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.836 -0.115 -7.304 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.224 -0.179 -4.291 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.560 -1.538 -5.344 1.00 8.33 H new ATOM 596 N PRO A 38 -7.943 1.794 -6.589 1.00 8.71 N ATOM 597 CA PRO A 38 -6.866 2.736 -6.171 1.00 9.08 C ATOM 598 C PRO A 38 -7.459 3.961 -5.487 1.00 9.28 C ATOM 599 O PRO A 38 -6.784 4.419 -4.568 1.00 6.50 O ATOM 600 CB PRO A 38 -6.084 3.028 -7.435 1.00 10.31 C ATOM 601 CG PRO A 38 -6.327 1.723 -8.256 1.00 10.81 C ATOM 602 CD PRO A 38 -7.742 1.230 -7.911 1.00 12.00 C ATOM 0 HA PRO A 38 -6.193 2.324 -5.419 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.454 3.913 -7.952 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.026 3.196 -7.234 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.237 1.918 -9.325 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.584 0.966 -8.006 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.484 1.588 -8.625 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.805 0.142 -7.904 1.00 12.00 H new ATOM 610 N ASP A 39 -8.642 4.496 -5.840 1.00 11.20 N ATOM 611 CA ASP A 39 -9.131 5.705 -5.268 1.00 14.96 C ATOM 612 C ASP A 39 -9.410 5.466 -3.772 1.00 13.99 C ATOM 613 O ASP A 39 -9.089 6.290 -2.902 1.00 13.75 O ATOM 614 CB ASP A 39 -10.445 6.261 -5.974 1.00 24.16 C ATOM 615 CG ASP A 39 -10.857 7.662 -5.497 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.978 8.514 -5.463 1.00 35.55 O ATOM 617 OD2 ASP A 39 -12.078 7.830 -5.089 1.00 34.22 O ATOM 0 H ASP A 39 -9.265 4.081 -6.533 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.362 6.464 -5.414 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.285 6.286 -7.052 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.266 5.568 -5.790 1.00 24.16 H new ATOM 622 N GLN A 40 -9.949 4.256 -3.495 1.00 11.60 N ATOM 623 CA GLN A 40 -10.530 3.827 -2.213 1.00 10.76 C ATOM 624 C GLN A 40 -9.449 3.566 -1.173 1.00 8.01 C ATOM 625 O GLN A 40 -9.681 3.750 0.023 1.00 8.96 O ATOM 626 CB GLN A 40 -11.487 2.714 -2.459 1.00 11.14 C ATOM 627 CG GLN A 40 -12.408 2.437 -1.239 1.00 14.85 C ATOM 628 CD GLN A 40 -13.247 1.214 -1.476 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.090 0.164 -0.840 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.060 1.320 -2.512 1.00 18.16 N ATOM 0 H GLN A 40 -9.990 3.519 -4.199 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.118 4.627 -1.763 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.102 2.954 -3.327 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.931 1.809 -2.703 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.802 2.301 -0.343 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.053 3.298 -1.060 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.151 2.211 -3.000 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.597 0.511 -2.824 1.00 18.16 H new ATOM 639 N GLN A 41 -8.312 3.121 -1.626 1.00 6.52 N ATOM 640 CA GLN A 41 -7.389 2.426 -0.796 1.00 3.87 C ATOM 641 C GLN A 41 -6.472 3.503 -0.184 1.00 4.79 C ATOM 642 O GLN A 41 -6.005 4.449 -0.838 1.00 6.34 O ATOM 643 CB GLN A 41 -6.483 1.595 -1.692 1.00 4.20 C ATOM 644 CG GLN A 41 -7.098 0.352 -2.256 1.00 3.20 C ATOM 645 CD GLN A 41 -6.027 -0.269 -3.135 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.910 -0.389 -2.659 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.327 -0.622 -4.420 1.00 7.13 N ATOM 0 H GLN A 41 -8.003 3.235 -2.591 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.906 1.814 -0.056 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.147 2.220 -2.519 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.597 1.315 -1.123 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.399 -0.332 -1.462 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.993 0.584 -2.833 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.276 -0.503 -4.773 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.602 -1.005 -5.026 1.00 7.13 H new ATOM 656 N ARG A 42 -6.261 3.372 1.121 1.00 5.73 N ATOM 657 CA ARG A 42 -5.282 4.141 1.904 1.00 6.97 C ATOM 658 C ARG A 42 -4.225 3.248 2.519 1.00 7.15 C ATOM 659 O ARG A 42 -4.509 2.314 3.233 1.00 7.33 O ATOM 660 CB ARG A 42 -5.901 4.866 3.157 1.00 13.23 C ATOM 661 CG ARG A 42 -6.915 5.849 2.706 1.00 21.27 C ATOM 662 CD ARG A 42 -7.400 6.724 3.840 1.00 26.14 C ATOM 663 NE ARG A 42 -8.144 7.867 3.241 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.076 8.578 3.912 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.014 8.063 4.681 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.092 9.896 3.671 1.00 36.39 N ATOM 0 H ARG A 42 -6.783 2.705 1.690 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.889 4.850 1.176 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.358 4.136 3.824 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.118 5.369 3.724 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.489 6.475 1.922 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.762 5.321 2.268 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.045 6.157 4.512 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.559 7.083 4.433 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.939 8.126 2.276 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.074 7.052 4.805 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.680 8.675 5.153 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.426 10.303 3.014 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.771 10.493 4.144 1.00 36.39 H new ATOM 680 N LEU A 43 -3.013 3.523 2.228 1.00 4.65 N ATOM 681 CA LEU A 43 -1.856 2.685 2.658 1.00 3.51 C ATOM 682 C LEU A 43 -0.971 3.344 3.663 1.00 5.56 C ATOM 683 O LEU A 43 -0.566 4.496 3.572 1.00 4.19 O ATOM 684 CB LEU A 43 -1.130 2.163 1.438 1.00 3.74 C ATOM 685 CG LEU A 43 -0.145 1.011 1.580 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.899 -0.294 1.915 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.711 0.813 0.384 1.00 6.41 C ATOM 0 H LEU A 43 -2.744 4.339 1.678 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.244 1.827 3.207 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.887 1.857 0.715 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.589 3.001 0.998 1.00 3.74 H new ATOM 0 HG LEU A 43 0.525 1.277 2.398 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.185 -1.112 2.014 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.442 -0.170 2.852 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.603 -0.523 1.115 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.388 -0.024 0.556 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.083 0.600 -0.481 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.291 1.717 0.198 1.00 6.41 H new ATOM 699 N ILE A 44 -0.688 2.588 4.771 1.00 4.58 N ATOM 700 CA ILE A 44 0.008 3.092 5.957 1.00 5.55 C ATOM 701 C ILE A 44 1.305 2.334 6.093 1.00 5.46 C ATOM 702 O ILE A 44 1.327 1.110 5.894 1.00 6.04 O ATOM 703 CB ILE A 44 -0.859 2.761 7.156 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.366 3.212 7.033 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.270 3.315 8.499 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.766 4.702 6.769 1.00 13.90 C ATOM 0 H ILE A 44 -0.948 1.605 4.846 1.00 4.58 H new ATOM 0 HA ILE A 44 0.196 4.163 5.885 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.849 1.671 7.171 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.807 2.621 6.230 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.860 2.913 7.957 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.931 3.049 9.324 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.716 2.882 8.670 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.184 4.400 8.439 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.852 4.784 6.721 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.390 5.328 7.578 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.335 5.032 5.824 1.00 13.90 H new ATOM 718 N PHE A 45 2.328 2.983 6.584 1.00 6.75 N ATOM 719 CA PHE A 45 3.529 2.255 7.148 1.00 4.70 C ATOM 720 C PHE A 45 3.749 2.747 8.587 1.00 6.34 C ATOM 721 O PHE A 45 4.046 3.957 8.794 1.00 5.45 O ATOM 722 CB PHE A 45 4.784 2.492 6.283 1.00 5.51 C ATOM 723 CG PHE A 45 5.892 1.636 6.766 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.821 0.220 6.790 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.204 2.235 6.976 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.920 -0.599 7.016 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.298 1.393 7.298 1.00 6.64 C ATOM 728 CZ PHE A 45 8.167 -0.011 7.266 1.00 6.84 C ATOM 0 H PHE A 45 2.393 4.000 6.623 1.00 6.75 H new ATOM 0 HA PHE A 45 3.345 1.181 7.145 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.566 2.267 5.239 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.076 3.541 6.328 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.861 -0.247 6.624 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.340 3.303 6.888 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.815 -1.674 6.999 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.246 1.833 7.572 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.032 -0.636 7.435 1.00 6.84 H new ATOM 738 N ALA A 46 3.726 1.823 9.533 1.00 6.53 N ATOM 739 CA ALA A 46 4.021 2.116 10.944 1.00 7.15 C ATOM 740 C ALA A 46 3.454 3.422 11.578 1.00 9.00 C ATOM 741 O ALA A 46 4.185 4.175 12.210 1.00 11.15 O ATOM 742 CB ALA A 46 5.510 1.882 11.369 1.00 8.99 C ATOM 0 H ALA A 46 3.503 0.844 9.354 1.00 6.53 H new ATOM 0 HA ALA A 46 3.405 1.336 11.392 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.629 2.125 12.425 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.776 0.838 11.204 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.163 2.521 10.774 1.00 8.99 H new ATOM 748 N GLY A 47 2.136 3.635 11.399 1.00 9.35 N ATOM 749 CA GLY A 47 1.386 4.731 11.987 1.00 11.68 C ATOM 750 C GLY A 47 1.290 6.024 11.150 1.00 11.14 C ATOM 751 O GLY A 47 0.712 7.006 11.557 1.00 13.93 O ATOM 0 H GLY A 47 1.558 3.024 10.822 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.374 4.381 12.192 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.839 4.978 12.947 1.00 11.68 H new ATOM 755 N LYS A 48 1.984 6.008 9.931 1.00 10.47 N ATOM 756 CA LYS A 48 1.977 7.140 9.008 1.00 8.82 C ATOM 757 C LYS A 48 1.335 6.813 7.628 1.00 7.68 C ATOM 758 O LYS A 48 1.613 5.798 6.983 1.00 6.47 O ATOM 759 CB LYS A 48 3.410 7.585 8.701 1.00 9.74 C ATOM 760 CG LYS A 48 3.572 8.925 7.926 1.00 14.14 C ATOM 761 CD LYS A 48 5.031 9.303 7.699 1.00 16.32 C ATOM 762 CE LYS A 48 5.282 10.660 6.947 1.00 20.04 C ATOM 763 NZ LYS A 48 5.012 11.850 7.804 1.00 23.92 N ATOM 0 H LYS A 48 2.536 5.213 9.608 1.00 10.47 H new ATOM 0 HA LYS A 48 1.392 7.909 9.512 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.950 7.669 9.644 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.895 6.797 8.125 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.068 8.846 6.963 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.077 9.722 8.480 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.528 9.350 8.668 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.509 8.503 7.133 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.315 10.693 6.601 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.648 10.703 6.062 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.193 12.718 7.260 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.019 11.836 8.114 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.635 11.827 8.636 1.00 23.92 H new ATOM 777 N GLN A 49 0.469 7.679 7.169 1.00 8.89 N ATOM 778 CA GLN A 49 -0.207 7.581 5.928 1.00 7.18 C ATOM 779 C GLN A 49 0.792 7.656 4.814 1.00 8.23 C ATOM 780 O GLN A 49 1.735 8.451 4.862 1.00 9.70 O ATOM 781 CB GLN A 49 -1.216 8.799 5.792 1.00 11.67 C ATOM 782 CG GLN A 49 -2.628 8.490 6.501 1.00 15.82 C ATOM 783 CD GLN A 49 -2.673 8.866 7.968 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.087 9.812 8.447 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.323 7.957 8.792 1.00 20.67 N ATOM 0 H GLN A 49 0.211 8.516 7.692 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.749 6.636 5.878 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.773 9.689 6.238 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.380 9.019 4.737 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.414 9.030 5.973 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.849 7.427 6.401 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.815 7.162 8.385 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.308 8.085 9.804 1.00 20.67 H new ATOM 794 N LEU A 50 0.620 6.971 3.642 1.00 6.51 N ATOM 795 CA LEU A 50 1.573 6.922 2.612 1.00 7.41 C ATOM 796 C LEU A 50 0.936 7.595 1.438 1.00 8.27 C ATOM 797 O LEU A 50 -0.258 7.374 1.179 1.00 8.34 O ATOM 798 CB LEU A 50 2.150 5.597 2.162 1.00 7.13 C ATOM 799 CG LEU A 50 2.744 4.689 3.249 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.233 3.400 2.625 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.790 5.388 4.135 1.00 9.11 C ATOM 0 H LEU A 50 -0.226 6.441 3.433 1.00 6.51 H new ATOM 0 HA LEU A 50 2.456 7.399 3.038 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.364 5.042 1.650 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.929 5.799 1.427 1.00 7.13 H new ATOM 0 HG LEU A 50 1.949 4.439 3.951 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.654 2.758 3.399 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.399 2.889 2.144 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.999 3.623 1.882 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.165 4.685 4.879 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.617 5.736 3.516 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.330 6.238 4.639 1.00 9.11 H new ATOM 813 N GLU A 51 1.696 8.497 0.745 1.00 9.43 N ATOM 814 CA GLU A 51 1.126 9.376 -0.311 1.00 11.90 C ATOM 815 C GLU A 51 1.234 8.825 -1.693 1.00 11.49 C ATOM 816 O GLU A 51 2.273 8.295 -2.077 1.00 9.88 O ATOM 817 CB GLU A 51 1.675 10.824 -0.261 1.00 16.56 C ATOM 818 CG GLU A 51 1.391 11.529 1.049 1.00 26.06 C ATOM 819 CD GLU A 51 1.557 12.991 0.833 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.785 13.618 0.056 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.616 13.564 1.294 1.00 33.44 O ATOM 0 H GLU A 51 2.695 8.630 0.901 1.00 9.43 H new ATOM 0 HA GLU A 51 0.064 9.410 -0.069 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.752 10.802 -0.428 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.238 11.399 -1.077 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.379 11.307 1.389 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.072 11.179 1.825 1.00 26.06 H new ATOM 828 N ASP A 52 0.155 9.080 -2.469 1.00 12.71 N ATOM 829 CA ASP A 52 0.036 8.489 -3.801 1.00 16.56 C ATOM 830 C ASP A 52 1.165 8.628 -4.840 1.00 15.83 C ATOM 831 O ASP A 52 1.606 7.600 -5.361 1.00 17.21 O ATOM 832 CB ASP A 52 -1.327 8.880 -4.349 1.00 21.05 C ATOM 833 CG ASP A 52 -2.514 8.417 -3.500 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.033 7.274 -3.678 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.971 9.154 -2.635 1.00 28.37 O ATOM 0 H ASP A 52 -0.624 9.679 -2.195 1.00 12.71 H new ATOM 0 HA ASP A 52 0.153 7.420 -3.625 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.367 9.965 -4.445 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.432 8.467 -5.352 1.00 21.05 H new ATOM 840 N GLY A 53 1.747 9.858 -5.045 1.00 15.00 N ATOM 841 CA GLY A 53 2.781 10.073 -5.987 1.00 11.77 C ATOM 842 C GLY A 53 4.163 9.929 -5.382 1.00 11.10 C ATOM 843 O GLY A 53 5.150 10.211 -6.041 1.00 11.25 O ATOM 0 H GLY A 53 1.475 10.698 -4.534 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.672 9.364 -6.808 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.677 11.071 -6.413 1.00 11.77 H new ATOM 847 N ARG A 54 4.267 9.521 -4.127 1.00 8.53 N ATOM 848 CA ARG A 54 5.509 9.171 -3.449 1.00 9.05 C ATOM 849 C ARG A 54 5.856 7.708 -3.649 1.00 8.96 C ATOM 850 O ARG A 54 5.036 6.879 -4.015 1.00 11.60 O ATOM 851 CB ARG A 54 5.495 9.561 -1.955 1.00 7.97 C ATOM 852 CG ARG A 54 5.315 11.123 -1.778 1.00 9.62 C ATOM 853 CD ARG A 54 6.591 11.875 -2.063 1.00 12.20 C ATOM 854 NE ARG A 54 6.274 13.343 -1.690 1.00 18.23 N ATOM 855 CZ ARG A 54 6.907 14.357 -2.281 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.972 14.242 -3.083 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.430 15.596 -2.110 1.00 23.38 N ATOM 0 H ARG A 54 3.451 9.420 -3.524 1.00 8.53 H new ATOM 0 HA ARG A 54 6.300 9.761 -3.912 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.685 9.038 -1.447 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.425 9.243 -1.484 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.530 11.475 -2.447 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.988 11.337 -0.761 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.420 11.486 -1.472 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.878 11.786 -3.111 1.00 12.20 H new ATOM 0 HE ARG A 54 5.569 13.538 -0.980 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.362 13.321 -3.284 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.394 15.075 -3.493 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.600 15.748 -1.538 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.897 16.388 -2.552 1.00 23.38 H new ATOM 871 N THR A 55 7.115 7.321 -3.578 1.00 9.05 N ATOM 872 CA THR A 55 7.526 5.958 -3.775 1.00 9.03 C ATOM 873 C THR A 55 7.731 5.234 -2.466 1.00 8.15 C ATOM 874 O THR A 55 7.980 5.845 -1.409 1.00 5.91 O ATOM 875 CB THR A 55 8.804 5.847 -4.650 1.00 11.15 C ATOM 876 OG1 THR A 55 9.989 6.210 -3.974 1.00 11.95 O ATOM 877 CG2 THR A 55 8.626 6.627 -5.924 1.00 11.71 C ATOM 0 H THR A 55 7.886 7.958 -3.379 1.00 9.05 H new ATOM 0 HA THR A 55 6.708 5.475 -4.310 1.00 9.03 H new ATOM 0 HB THR A 55 8.931 4.792 -4.893 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.852 7.061 -3.508 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.527 6.543 -6.531 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.777 6.229 -6.479 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.445 7.675 -5.687 1.00 11.71 H new ATOM 885 N LEU A 56 7.865 3.907 -2.589 1.00 6.91 N ATOM 886 CA LEU A 56 8.393 3.065 -1.486 1.00 8.29 C ATOM 887 C LEU A 56 9.819 3.463 -1.027 1.00 8.05 C ATOM 888 O LEU A 56 10.164 3.319 0.147 1.00 10.17 O ATOM 889 CB LEU A 56 8.319 1.581 -2.052 1.00 6.60 C ATOM 890 CG LEU A 56 6.904 1.032 -2.312 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.879 -0.149 -3.293 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.238 0.606 -0.987 1.00 8.64 C ATOM 0 H LEU A 56 7.619 3.388 -3.432 1.00 6.91 H new ATOM 0 HA LEU A 56 7.806 3.189 -0.576 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.881 1.540 -2.985 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.822 0.918 -1.347 1.00 6.60 H new ATOM 0 HG LEU A 56 6.346 1.848 -2.772 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.852 -0.486 -3.430 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.289 0.166 -4.253 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.479 -0.967 -2.893 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.239 0.221 -1.190 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.837 -0.171 -0.512 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.167 1.467 -0.322 1.00 8.64 H new ATOM 904 N SER A 57 10.710 3.985 -1.885 1.00 8.92 N ATOM 905 CA SER A 57 12.053 4.491 -1.606 1.00 9.00 C ATOM 906 C SER A 57 12.080 5.767 -0.714 1.00 9.44 C ATOM 907 O SER A 57 12.892 5.916 0.188 1.00 10.91 O ATOM 908 CB SER A 57 12.958 4.829 -2.877 1.00 10.32 C ATOM 909 OG SER A 57 14.421 4.981 -2.618 1.00 13.59 O ATOM 0 H SER A 57 10.484 4.069 -2.876 1.00 8.92 H new ATOM 0 HA SER A 57 12.473 3.630 -1.086 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.820 4.040 -3.616 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.591 5.753 -3.324 1.00 10.32 H new ATOM 0 HG SER A 57 14.883 5.185 -3.458 1.00 13.59 H new ATOM 915 N ASP A 58 11.011 6.644 -0.883 1.00 9.11 N ATOM 916 CA ASP A 58 10.806 7.902 -0.143 1.00 7.91 C ATOM 917 C ASP A 58 10.626 7.696 1.338 1.00 9.12 C ATOM 918 O ASP A 58 11.090 8.379 2.236 1.00 8.61 O ATOM 919 CB ASP A 58 9.494 8.589 -0.671 1.00 8.41 C ATOM 920 CG ASP A 58 9.948 9.133 -1.988 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.863 10.021 -1.985 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.473 8.761 -3.072 1.00 11.70 O ATOM 0 H ASP A 58 10.269 6.464 -1.559 1.00 9.11 H new ATOM 0 HA ASP A 58 11.698 8.508 -0.302 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.675 7.878 -0.782 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.145 9.375 -0.001 1.00 8.41 H new ATOM 927 N TYR A 59 9.914 6.626 1.617 1.00 7.97 N ATOM 928 CA TYR A 59 9.579 6.256 2.964 1.00 8.45 C ATOM 929 C TYR A 59 10.601 5.204 3.520 1.00 10.98 C ATOM 930 O TYR A 59 10.488 4.872 4.644 1.00 12.95 O ATOM 931 CB TYR A 59 8.159 5.647 2.945 1.00 7.94 C ATOM 932 CG TYR A 59 7.156 6.665 2.667 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.881 7.713 3.557 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.456 6.610 1.421 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.018 8.784 3.233 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.465 7.590 1.113 1.00 6.52 C ATOM 937 CZ TYR A 59 5.289 8.672 2.026 1.00 6.76 C ATOM 938 OH TYR A 59 4.370 9.687 1.723 1.00 7.63 O ATOM 0 H TYR A 59 9.552 5.988 0.908 1.00 7.97 H new ATOM 0 HA TYR A 59 9.616 7.133 3.611 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.106 4.864 2.189 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.948 5.177 3.906 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.348 7.701 4.531 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.678 5.826 0.712 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.920 9.646 3.876 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.867 7.515 0.217 1.00 6.52 H new ATOM 0 HH TYR A 59 4.818 10.392 1.210 1.00 7.63 H new ATOM 948 N ASN A 60 11.563 4.712 2.776 1.00 12.38 N ATOM 949 CA ASN A 60 12.503 3.667 3.145 1.00 13.94 C ATOM 950 C ASN A 60 11.930 2.260 3.363 1.00 14.16 C ATOM 951 O ASN A 60 12.289 1.558 4.333 1.00 14.26 O ATOM 952 CB ASN A 60 13.503 4.082 4.277 1.00 19.23 C ATOM 953 CG ASN A 60 14.262 5.393 3.989 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.673 6.494 3.951 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.582 5.252 3.711 1.00 24.09 N ATOM 0 H ASN A 60 11.725 5.052 1.828 1.00 12.38 H new ATOM 0 HA ASN A 60 13.078 3.566 2.225 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.954 4.189 5.212 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.226 3.279 4.422 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.140 6.067 3.457 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.017 4.331 3.756 1.00 24.09 H new ATOM 962 N ILE A 61 10.969 1.864 2.458 1.00 11.08 N ATOM 963 CA ILE A 61 10.230 0.676 2.566 1.00 11.78 C ATOM 964 C ILE A 61 11.043 -0.414 1.786 1.00 13.74 C ATOM 965 O ILE A 61 11.166 -0.377 0.517 1.00 14.60 O ATOM 966 CB ILE A 61 8.832 0.789 2.038 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.023 1.741 2.931 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.123 -0.629 1.965 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.613 2.103 2.465 1.00 11.42 C ATOM 0 H ILE A 61 10.726 2.416 1.636 1.00 11.08 H new ATOM 0 HA ILE A 61 10.102 0.419 3.618 1.00 11.78 H new ATOM 0 HB ILE A 61 8.878 1.187 1.024 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.947 1.293 3.922 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.590 2.665 3.042 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.111 -0.510 1.578 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.689 -1.285 1.304 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.081 -1.067 2.962 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.154 2.780 3.186 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.665 2.590 1.491 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.012 1.197 2.385 1.00 11.42 H new ATOM 981 N GLN A 62 11.594 -1.398 2.467 1.00 13.97 N ATOM 982 CA GLN A 62 12.580 -2.366 2.007 1.00 15.52 C ATOM 983 C GLN A 62 12.044 -3.821 2.129 1.00 13.94 C ATOM 984 O GLN A 62 10.877 -4.046 2.476 1.00 12.15 O ATOM 985 CB GLN A 62 13.807 -2.202 2.886 1.00 19.53 C ATOM 986 CG GLN A 62 14.488 -0.855 2.669 1.00 26.38 C ATOM 987 CD GLN A 62 15.684 -0.619 3.633 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.557 -0.377 4.813 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.908 -0.882 3.135 1.00 32.71 N ATOM 0 H GLN A 62 11.344 -1.558 3.443 1.00 13.97 H new ATOM 0 HA GLN A 62 12.810 -2.190 0.956 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.519 -2.298 3.933 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.514 -3.004 2.675 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.840 -0.794 1.639 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.757 -0.058 2.804 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.021 -1.087 2.142 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.721 -0.877 3.751 1.00 32.71 H new ATOM 998 N LYS A 63 12.812 -4.833 1.644 1.00 11.73 N ATOM 999 CA LYS A 63 12.316 -6.187 1.626 1.00 11.97 C ATOM 1000 C LYS A 63 11.772 -6.857 2.949 1.00 10.41 C ATOM 1001 O LYS A 63 12.263 -6.649 4.070 1.00 9.59 O ATOM 1002 CB LYS A 63 13.379 -7.130 1.022 1.00 13.73 C ATOM 1003 CG LYS A 63 14.737 -7.202 1.778 1.00 16.98 C ATOM 1004 CD LYS A 63 15.759 -7.986 0.976 1.00 20.19 C ATOM 1005 CE LYS A 63 17.225 -7.822 1.380 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.447 -7.976 2.822 1.00 25.97 N ATOM 0 H LYS A 63 13.755 -4.716 1.273 1.00 11.73 H new ATOM 0 HA LYS A 63 11.415 -6.061 1.025 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.959 -8.135 0.974 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.573 -6.816 -0.004 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.109 -6.194 1.964 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.593 -7.673 2.751 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.504 -9.044 1.043 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.661 -7.700 -0.071 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.827 -8.557 0.846 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.573 -6.837 1.068 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.463 -7.888 3.028 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.924 -7.237 3.335 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.112 -8.912 3.127 1.00 25.97 H new ATOM 1020 N GLU A 64 10.645 -7.594 2.792 1.00 10.04 N ATOM 1021 CA GLU A 64 9.808 -8.110 3.811 1.00 10.94 C ATOM 1022 C GLU A 64 9.264 -7.185 4.832 1.00 9.74 C ATOM 1023 O GLU A 64 8.780 -7.572 5.871 1.00 9.42 O ATOM 1024 CB GLU A 64 10.425 -9.380 4.371 1.00 18.31 C ATOM 1025 CG GLU A 64 10.545 -10.481 3.364 1.00 24.16 C ATOM 1026 CD GLU A 64 11.273 -11.698 3.821 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.045 -12.227 4.896 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.157 -12.087 2.995 1.00 31.72 O ATOM 0 H GLU A 64 10.304 -7.841 1.863 1.00 10.04 H new ATOM 0 HA GLU A 64 8.869 -8.338 3.307 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.415 -9.150 4.766 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.821 -9.729 5.209 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.542 -10.775 3.053 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.050 -10.088 2.482 1.00 24.16 H new ATOM 1035 N SER A 65 9.159 -5.840 4.530 1.00 6.85 N ATOM 1036 CA SER A 65 8.414 -4.900 5.378 1.00 6.90 C ATOM 1037 C SER A 65 6.941 -5.194 5.428 1.00 4.72 C ATOM 1038 O SER A 65 6.407 -5.840 4.528 1.00 3.91 O ATOM 1039 CB SER A 65 8.593 -3.387 4.833 1.00 7.28 C ATOM 1040 OG SER A 65 9.956 -2.970 4.803 1.00 10.56 O ATOM 0 H SER A 65 9.585 -5.411 3.709 1.00 6.85 H new ATOM 0 HA SER A 65 8.826 -5.013 6.381 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.173 -3.315 3.830 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.023 -2.707 5.467 1.00 7.28 H new ATOM 0 HG SER A 65 10.381 -3.300 3.984 1.00 10.56 H new ATOM 1046 N THR A 66 6.243 -4.757 6.518 1.00 4.48 N ATOM 1047 CA THR A 66 4.847 -4.926 6.769 1.00 3.80 C ATOM 1048 C THR A 66 4.219 -3.573 6.721 1.00 4.60 C ATOM 1049 O THR A 66 4.413 -2.688 7.557 1.00 5.33 O ATOM 1050 CB THR A 66 4.523 -5.577 8.088 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.248 -6.834 8.125 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.034 -5.934 8.114 1.00 3.40 C ATOM 0 H THR A 66 6.705 -4.249 7.272 1.00 4.48 H new ATOM 0 HA THR A 66 4.458 -5.602 6.007 1.00 3.80 H new ATOM 0 HB THR A 66 4.779 -4.915 8.915 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.066 -7.292 8.972 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.790 -6.406 9.066 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.440 -5.028 7.996 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.811 -6.623 7.299 1.00 3.40 H new ATOM 1060 N LEU A 67 3.251 -3.418 5.808 1.00 4.17 N ATOM 1061 CA LEU A 67 2.510 -2.201 5.564 1.00 3.85 C ATOM 1062 C LEU A 67 1.108 -2.538 5.947 1.00 3.80 C ATOM 1063 O LEU A 67 0.732 -3.662 6.280 1.00 5.54 O ATOM 1064 CB LEU A 67 2.529 -1.855 4.010 1.00 7.18 C ATOM 1065 CG LEU A 67 3.853 -1.228 3.539 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.111 -2.155 3.711 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.611 -0.817 2.108 1.00 11.66 C ATOM 0 H LEU A 67 2.959 -4.181 5.197 1.00 4.17 H new ATOM 0 HA LEU A 67 2.923 -1.354 6.112 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.344 -2.766 3.440 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.712 -1.169 3.788 1.00 7.18 H new ATOM 0 HG LEU A 67 4.113 -0.375 4.166 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.999 -1.633 3.354 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.237 -2.406 4.764 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.971 -3.069 3.134 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.514 -0.360 1.703 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.352 -1.695 1.516 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.792 -0.098 2.069 1.00 11.66 H new ATOM 1079 N HIS A 68 0.321 -1.518 6.070 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.074 -1.718 6.422 1.00 4.17 C ATOM 1081 C HIS A 68 -2.075 -0.951 5.573 1.00 5.32 C ATOM 1082 O HIS A 68 -1.724 0.136 5.120 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.333 -1.272 7.881 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.859 -2.228 8.977 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.177 -3.105 8.880 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.234 -2.242 10.312 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.432 -3.508 10.116 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.402 -3.049 11.029 1.00 16.30 N ATOM 0 H HIS A 68 0.601 -0.546 5.937 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.228 -2.785 6.259 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.848 -0.308 8.035 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.404 -1.114 8.005 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.659 -3.393 8.029 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.067 -1.692 10.725 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.258 -4.161 10.357 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.276 -1.587 5.387 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.272 -1.044 4.440 1.00 3.97 C ATOM 1098 C LEU A 69 -5.503 -0.805 5.150 1.00 5.07 C ATOM 1099 O LEU A 69 -5.896 -1.647 5.906 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.602 -2.126 3.410 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.655 -1.820 2.298 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.266 -0.600 1.452 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.845 -3.163 1.467 1.00 9.96 C ATOM 0 H LEU A 69 -3.558 -2.442 5.866 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.877 -0.138 3.981 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.671 -2.402 2.914 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.946 -3.005 3.955 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.614 -1.529 2.727 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.028 -0.426 0.692 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.187 0.277 2.094 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.307 -0.784 0.968 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.575 -3.000 0.674 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.892 -3.457 1.028 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.199 -3.953 2.129 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.090 0.440 4.987 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.437 0.696 5.413 1.00 6.26 C ATOM 1117 C VAL A 70 -8.124 1.373 4.228 1.00 9.22 C ATOM 1118 O VAL A 70 -7.425 1.934 3.392 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.506 1.590 6.632 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.216 0.796 7.904 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.768 2.973 6.526 1.00 8.54 C ATOM 0 H VAL A 70 -5.621 1.241 4.565 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.920 -0.237 5.704 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.541 1.928 6.691 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.271 1.459 8.767 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.952 -0.001 8.011 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.218 0.362 7.843 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.889 3.522 7.460 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.707 2.806 6.338 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.195 3.551 5.707 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.477 1.247 4.059 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.217 1.711 2.909 1.00 16.06 C ATOM 1133 C LEU A 71 -11.149 2.906 3.269 1.00 18.09 C ATOM 1134 O LEU A 71 -12.027 2.813 4.151 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.020 0.519 2.298 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.115 -0.711 1.796 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.982 -1.755 1.112 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.024 -0.241 0.879 1.00 19.57 C ATOM 0 H LEU A 71 -10.072 0.802 4.758 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.514 2.083 2.164 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.725 0.153 3.044 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.608 0.887 1.457 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.642 -1.166 2.667 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.358 -2.583 0.776 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.729 -2.125 1.815 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.482 -1.307 0.254 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.428 -1.094 0.555 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.465 0.245 0.008 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.386 0.468 1.406 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.013 4.031 2.540 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.806 5.209 2.557 1.00 25.83 C ATOM 1152 C ARG A 72 -13.261 4.880 2.236 1.00 27.74 C ATOM 1153 O ARG A 72 -13.551 4.070 1.388 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.356 6.141 1.409 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.828 7.593 1.471 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.904 8.551 0.683 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.483 9.851 1.149 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.060 11.057 0.748 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.888 11.208 0.154 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.810 12.121 0.903 1.00 35.02 N ATOM 0 H ARG A 72 -10.255 4.113 1.863 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.700 5.661 3.543 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.266 6.140 1.378 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.702 5.712 0.469 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.840 7.660 1.072 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.874 7.912 2.512 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.853 8.437 0.947 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.978 8.418 -0.396 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.252 9.816 1.818 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.289 10.398 -0.006 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.583 12.134 -0.144 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.730 12.038 1.334 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.473 13.032 0.592 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.185 5.511 3.017 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.593 5.592 2.647 1.00 30.76 C ATOM 1176 C LEU A 73 -15.976 6.633 1.610 1.00 32.18 C ATOM 1177 O LEU A 73 -15.317 7.652 1.542 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.513 5.750 3.925 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.150 4.863 5.165 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.991 5.356 6.386 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.263 3.341 4.917 1.00 29.11 C ATOM 0 H LEU A 73 -13.960 5.965 3.903 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.766 4.637 2.152 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.489 6.795 4.235 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.540 5.527 3.635 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.089 4.992 5.379 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.753 4.750 7.260 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.755 6.400 6.592 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.053 5.262 6.158 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.994 2.803 5.826 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.287 3.093 4.638 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.588 3.052 4.112 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.015 6.376 0.857 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.621 7.358 -0.001 1.00 35.33 C ATOM 1195 C ARG A 74 -18.113 8.664 0.782 1.00 36.22 C ATOM 1196 O ARG A 74 -18.076 9.807 0.293 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.780 6.796 -0.899 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.286 5.932 -2.160 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.543 6.732 -3.277 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.223 5.799 -4.392 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.428 6.212 -5.386 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.068 7.482 -5.548 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.998 5.367 -6.329 1.00 41.93 N ATOM 0 H ARG A 74 -17.470 5.464 0.823 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.810 7.650 -0.669 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.432 6.177 -0.283 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.381 7.631 -1.260 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.624 5.144 -1.801 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.153 5.442 -2.604 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.167 7.551 -3.635 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.630 7.177 -2.881 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.606 4.854 -4.398 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.401 8.193 -4.897 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.459 7.745 -6.323 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.276 4.386 -6.300 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.393 5.704 -7.078 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.600 8.510 2.019 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.004 9.519 2.994 1.00 36.07 C ATOM 1219 C GLY A 75 -17.885 10.244 3.717 1.00 36.16 C ATOM 1220 O GLY A 75 -18.210 11.014 4.606 1.00 36.26 O ATOM 0 H GLY A 75 -18.733 7.572 2.398 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.618 10.261 2.483 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.638 9.039 3.740 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.614 9.982 3.446 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.632 10.812 4.035 1.00 36.19 C ATOM 1226 C GLY A 76 -14.402 10.775 3.138 1.00 36.20 C ATOM 1227 O GLY A 76 -13.669 9.765 3.084 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.266 11.731 2.263 1.00 0.00 O ATOM 0 H GLY A 76 -16.271 9.231 2.847 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.003 11.832 4.135 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.386 10.462 5.038 1.00 36.19 H new TER 1232 GLY A 76