USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -164:sc= 0.591 USER MOD Set 1.2: A 57 SER OG : rot -10:sc= 0.664 USER MOD Set 2.1: A 7 THR OG1 : rot 134:sc= 1.1 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.526 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -113:sc= 0.316 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.292 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.112 (180deg=-0.112) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.13 (180deg=1.01) USER MOD Single : A 2 GLN : amide:sc= -0.0649 K(o=-0.065,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 1.23 (180deg=-0.109!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000708 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 1.11 (180deg=0.101) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= 0.455 (180deg=-0.00339) USER MOD Single : A 31 GLN : amide:sc= -0.012 K(o=-0.012,f=-0.57) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00494 F(o=-0.57,f=-0.0049) USER MOD Single : A 41 GLN : amide:sc= -0.775 K(o=-0.78,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.145 K(o=0.15,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.795 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 62 GLN : amide:sc= -0.0044 K(o=-0.0044,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 0.96 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.444 -4.461 -3.711 1.00 0.78 N ATOM 2 CA MET A 1 12.317 -4.894 -2.302 1.00 0.70 C ATOM 3 C MET A 1 10.906 -5.361 -2.202 1.00 0.62 C ATOM 4 O MET A 1 9.946 -4.898 -2.816 1.00 0.68 O ATOM 5 CB MET A 1 12.618 -3.831 -1.232 1.00 0.75 C ATOM 6 CG MET A 1 11.659 -2.638 -1.231 1.00 0.79 C ATOM 7 SD MET A 1 12.038 -1.487 0.125 1.00 1.10 S ATOM 8 CE MET A 1 10.444 -0.674 -0.182 1.00 0.84 C ATOM 0 H1 MET A 1 13.214 -3.766 -3.793 1.00 0.78 H new ATOM 0 H2 MET A 1 12.656 -5.285 -4.310 1.00 0.78 H new ATOM 0 H3 MET A 1 11.552 -4.027 -4.023 1.00 0.78 H new ATOM 0 HA MET A 1 13.070 -5.652 -2.088 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.589 -4.304 -0.250 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.634 -3.464 -1.379 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.726 -2.114 -2.185 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.633 -2.993 -1.133 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.316 0.151 0.518 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.421 -0.291 -1.202 1.00 0.84 H new ATOM 0 HE3 MET A 1 9.637 -1.394 -0.047 1.00 0.84 H new ATOM 20 N GLN A 2 10.669 -6.422 -1.409 1.00 0.59 N ATOM 21 CA GLN A 2 9.382 -7.012 -1.206 1.00 0.56 C ATOM 22 C GLN A 2 8.715 -6.359 -0.045 1.00 0.50 C ATOM 23 O GLN A 2 9.321 -6.188 1.011 1.00 0.60 O ATOM 24 CB GLN A 2 9.587 -8.516 -0.964 1.00 0.71 C ATOM 25 CG GLN A 2 9.873 -9.416 -2.168 1.00 1.15 C ATOM 26 CD GLN A 2 10.464 -10.760 -1.771 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.738 -11.007 -0.597 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.654 -11.662 -2.773 1.00 1.72 N ATOM 0 H GLN A 2 11.409 -6.890 -0.885 1.00 0.59 H new ATOM 0 HA GLN A 2 8.741 -6.872 -2.076 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.413 -8.629 -0.262 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.693 -8.897 -0.470 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.948 -9.580 -2.721 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.562 -8.906 -2.842 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.413 -11.416 -3.733 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.037 -12.584 -2.564 1.00 1.72 H new ATOM 37 N ILE A 3 7.488 -5.849 -0.257 1.00 0.44 N ATOM 38 CA ILE A 3 6.720 -5.405 0.865 1.00 0.42 C ATOM 39 C ILE A 3 5.376 -6.048 0.821 1.00 0.40 C ATOM 40 O ILE A 3 4.918 -6.420 -0.257 1.00 0.50 O ATOM 41 CB ILE A 3 6.487 -3.924 0.905 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.854 -3.284 -0.343 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.822 -3.229 1.218 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.648 -2.393 -0.042 1.00 0.72 C ATOM 0 H ILE A 3 7.041 -5.746 -1.168 1.00 0.44 H new ATOM 0 HA ILE A 3 7.301 -5.680 1.745 1.00 0.42 H new ATOM 0 HB ILE A 3 5.737 -3.778 1.682 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.610 -2.692 -0.858 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.547 -4.074 -1.028 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.671 -2.150 1.251 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.194 -3.573 2.183 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.549 -3.470 0.442 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.259 -1.980 -0.973 1.00 0.72 H new ATOM 0 HD12 ILE A 3 3.872 -2.983 0.445 1.00 0.72 H new ATOM 0 HD13 ILE A 3 4.952 -1.580 0.617 1.00 0.72 H new ATOM 56 N PHE A 4 4.754 -6.270 1.993 1.00 0.37 N ATOM 57 CA PHE A 4 3.544 -7.024 2.102 1.00 0.38 C ATOM 58 C PHE A 4 2.399 -6.192 2.567 1.00 0.39 C ATOM 59 O PHE A 4 2.387 -5.556 3.621 1.00 0.60 O ATOM 60 CB PHE A 4 3.850 -8.037 3.218 1.00 0.45 C ATOM 61 CG PHE A 4 5.129 -8.790 3.077 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.471 -9.654 2.064 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.033 -8.633 4.101 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.601 -10.436 2.114 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.236 -9.299 4.106 1.00 1.40 C ATOM 66 CZ PHE A 4 7.501 -10.234 3.134 1.00 0.85 C ATOM 0 H PHE A 4 5.100 -5.917 2.885 1.00 0.37 H new ATOM 0 HA PHE A 4 3.267 -7.452 1.139 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.865 -7.507 4.170 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.031 -8.755 3.266 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.829 -9.721 1.198 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.793 -7.971 4.920 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.778 -11.195 1.366 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.969 -9.088 4.870 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.414 -10.809 3.171 1.00 0.85 H new ATOM 76 N VAL A 5 1.333 -6.144 1.748 1.00 0.35 N ATOM 77 CA VAL A 5 0.152 -5.413 2.086 1.00 0.35 C ATOM 78 C VAL A 5 -0.931 -6.332 2.539 1.00 0.35 C ATOM 79 O VAL A 5 -1.443 -7.152 1.778 1.00 0.46 O ATOM 80 CB VAL A 5 -0.271 -4.621 0.884 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.486 -3.762 1.273 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.931 -3.748 0.485 1.00 0.56 C ATOM 0 H VAL A 5 1.290 -6.616 0.845 1.00 0.35 H new ATOM 0 HA VAL A 5 0.358 -4.735 2.915 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.560 -5.253 0.044 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.809 -3.178 0.411 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.300 -4.410 1.598 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.211 -3.089 2.085 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.672 -3.150 -0.389 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.192 -3.088 1.312 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.782 -4.387 0.249 1.00 0.56 H new ATOM 92 N LYS A 6 -1.267 -6.358 3.840 1.00 0.36 N ATOM 93 CA LYS A 6 -2.340 -7.208 4.257 1.00 0.39 C ATOM 94 C LYS A 6 -3.610 -6.451 4.068 1.00 0.46 C ATOM 95 O LYS A 6 -3.632 -5.224 4.147 1.00 0.53 O ATOM 96 CB LYS A 6 -2.229 -7.698 5.710 1.00 0.54 C ATOM 97 CG LYS A 6 -1.041 -8.642 5.908 1.00 1.22 C ATOM 98 CD LYS A 6 -1.298 -9.498 7.150 1.00 1.37 C ATOM 99 CE LYS A 6 -0.103 -10.324 7.629 1.00 1.93 C ATOM 100 NZ LYS A 6 0.335 -11.352 6.657 1.00 2.09 N ATOM 0 H LYS A 6 -0.818 -5.815 4.578 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.305 -8.112 3.649 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.125 -6.840 6.375 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.149 -8.210 5.991 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.912 -9.277 5.031 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.120 -8.071 6.026 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.617 -8.845 7.962 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.127 -10.174 6.941 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.731 -9.654 7.837 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.362 -10.812 8.569 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.152 -12.299 7.047 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.192 -11.236 5.768 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.353 -11.245 6.473 1.00 2.09 H new ATOM 114 N THR A 7 -4.744 -7.165 3.970 1.00 0.58 N ATOM 115 CA THR A 7 -6.048 -6.583 3.884 1.00 0.78 C ATOM 116 C THR A 7 -6.724 -6.845 5.186 1.00 0.94 C ATOM 117 O THR A 7 -6.020 -7.142 6.150 1.00 0.99 O ATOM 118 CB THR A 7 -6.875 -7.207 2.800 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.128 -8.577 3.073 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.195 -7.107 1.424 1.00 0.92 C ATOM 0 H THR A 7 -4.755 -8.185 3.950 1.00 0.58 H new ATOM 0 HA THR A 7 -5.948 -5.521 3.660 1.00 0.78 H new ATOM 0 HB THR A 7 -7.812 -6.651 2.776 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.078 -8.770 2.926 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.830 -7.572 0.670 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.039 -6.058 1.171 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.234 -7.620 1.455 1.00 0.92 H new ATOM 128 N LEU A 8 -8.047 -6.635 5.308 1.00 1.17 N ATOM 129 CA LEU A 8 -8.742 -6.901 6.529 1.00 1.39 C ATOM 130 C LEU A 8 -9.201 -8.319 6.532 1.00 1.44 C ATOM 131 O LEU A 8 -9.385 -8.919 7.590 1.00 1.60 O ATOM 132 CB LEU A 8 -9.994 -6.020 6.674 1.00 1.66 C ATOM 133 CG LEU A 8 -9.693 -4.515 6.773 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.021 -3.755 6.923 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.734 -4.272 7.950 1.00 2.43 C ATOM 0 H LEU A 8 -8.638 -6.279 4.557 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.054 -6.693 7.348 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.649 -6.194 5.820 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.542 -6.330 7.564 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.202 -4.147 5.872 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.822 -2.686 6.994 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.652 -3.950 6.056 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.532 -4.090 7.826 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.515 -3.207 8.027 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.198 -4.615 8.875 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.807 -4.821 7.784 1.00 2.43 H new ATOM 147 N THR A 9 -9.512 -8.927 5.374 1.00 1.41 N ATOM 148 CA THR A 9 -9.974 -10.272 5.219 1.00 1.51 C ATOM 149 C THR A 9 -8.814 -11.157 5.524 1.00 1.37 C ATOM 150 O THR A 9 -9.001 -12.308 5.917 1.00 1.62 O ATOM 151 CB THR A 9 -10.579 -10.422 3.855 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.744 -9.874 2.845 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.907 -9.648 3.812 1.00 2.08 C ATOM 0 H THR A 9 -9.435 -8.442 4.480 1.00 1.41 H new ATOM 0 HA THR A 9 -10.774 -10.555 5.903 1.00 1.51 H new ATOM 0 HB THR A 9 -10.716 -11.488 3.671 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.169 -9.991 1.970 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.356 -9.750 2.824 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.587 -10.050 4.563 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.721 -8.594 4.019 1.00 2.08 H new ATOM 161 N GLY A 10 -7.576 -10.680 5.307 1.00 1.18 N ATOM 162 CA GLY A 10 -6.412 -11.409 5.703 1.00 1.22 C ATOM 163 C GLY A 10 -5.532 -11.868 4.593 1.00 0.99 C ATOM 164 O GLY A 10 -4.753 -12.812 4.716 1.00 1.31 O ATOM 0 H GLY A 10 -7.381 -9.786 4.856 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.824 -10.783 6.374 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.728 -12.281 6.276 1.00 1.22 H new ATOM 168 N LYS A 11 -5.706 -11.231 3.421 1.00 0.73 N ATOM 169 CA LYS A 11 -4.948 -11.634 2.277 1.00 0.60 C ATOM 170 C LYS A 11 -3.581 -11.042 2.235 1.00 0.51 C ATOM 171 O LYS A 11 -3.504 -9.815 2.192 1.00 0.63 O ATOM 172 CB LYS A 11 -5.725 -11.333 0.983 1.00 0.75 C ATOM 173 CG LYS A 11 -5.022 -11.826 -0.282 1.00 0.87 C ATOM 174 CD LYS A 11 -5.982 -11.889 -1.472 1.00 1.04 C ATOM 175 CE LYS A 11 -5.319 -12.364 -2.765 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.265 -12.593 -3.881 1.00 1.40 N ATOM 0 H LYS A 11 -6.353 -10.458 3.266 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.803 -12.711 2.362 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.710 -11.795 1.045 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.882 -10.257 0.905 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.191 -11.162 -0.519 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.599 -12.814 -0.102 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.807 -12.559 -1.228 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.412 -10.901 -1.635 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.581 -11.625 -3.075 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.779 -13.289 -2.565 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.162 -13.568 -4.229 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.239 -12.446 -3.546 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.060 -11.926 -4.652 1.00 1.40 H new ATOM 190 N THR A 12 -2.421 -11.720 2.267 1.00 0.49 N ATOM 191 CA THR A 12 -1.186 -11.012 2.119 1.00 0.48 C ATOM 192 C THR A 12 -0.779 -10.787 0.703 1.00 0.52 C ATOM 193 O THR A 12 -0.596 -11.671 -0.132 1.00 0.72 O ATOM 194 CB THR A 12 -0.007 -11.827 2.562 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.213 -12.205 3.915 1.00 0.77 O ATOM 196 CG2 THR A 12 1.293 -11.007 2.625 1.00 0.78 C ATOM 0 H THR A 12 -2.335 -12.729 2.391 1.00 0.49 H new ATOM 0 HA THR A 12 -1.387 -10.102 2.685 1.00 0.48 H new ATOM 0 HB THR A 12 0.080 -12.650 1.852 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.547 -12.741 4.224 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.112 -11.648 2.951 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.518 -10.605 1.637 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.171 -10.186 3.331 1.00 0.78 H new ATOM 204 N ILE A 13 -0.711 -9.532 0.225 1.00 0.48 N ATOM 205 CA ILE A 13 -0.314 -9.143 -1.093 1.00 0.55 C ATOM 206 C ILE A 13 1.098 -8.666 -1.096 1.00 0.51 C ATOM 207 O ILE A 13 1.422 -7.573 -0.633 1.00 0.56 O ATOM 208 CB ILE A 13 -1.156 -8.055 -1.690 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.627 -8.503 -1.719 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.737 -7.698 -3.127 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.475 -7.411 -2.370 1.00 1.55 C ATOM 0 H ILE A 13 -0.952 -8.729 0.805 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.440 -10.041 -1.698 1.00 0.55 H new ATOM 0 HB ILE A 13 -1.018 -7.172 -1.066 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.724 -9.435 -2.276 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.980 -8.698 -0.706 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.381 -6.905 -3.507 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.298 -7.357 -3.130 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.831 -8.578 -3.763 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.518 -7.725 -2.392 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -3.386 -6.490 -1.795 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.126 -7.238 -3.388 1.00 1.55 H new ATOM 223 N THR A 14 2.045 -9.447 -1.645 1.00 0.55 N ATOM 224 CA THR A 14 3.430 -9.140 -1.827 1.00 0.54 C ATOM 225 C THR A 14 3.713 -8.294 -3.021 1.00 0.55 C ATOM 226 O THR A 14 3.614 -8.778 -4.147 1.00 0.72 O ATOM 227 CB THR A 14 4.188 -10.422 -2.000 1.00 0.67 C ATOM 228 OG1 THR A 14 3.920 -11.260 -0.885 1.00 1.08 O ATOM 229 CG2 THR A 14 5.696 -10.139 -1.906 1.00 1.03 C ATOM 0 H THR A 14 1.818 -10.379 -1.993 1.00 0.55 H new ATOM 0 HA THR A 14 3.735 -8.578 -0.944 1.00 0.54 H new ATOM 0 HB THR A 14 3.904 -10.867 -2.953 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.408 -12.104 -0.985 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.249 -11.070 -2.031 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.984 -9.437 -2.689 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.925 -9.709 -0.931 1.00 1.03 H new ATOM 237 N LEU A 15 4.230 -7.062 -2.872 1.00 0.50 N ATOM 238 CA LEU A 15 4.577 -6.184 -3.946 1.00 0.55 C ATOM 239 C LEU A 15 6.064 -6.131 -4.026 1.00 0.52 C ATOM 240 O LEU A 15 6.728 -5.906 -3.015 1.00 0.58 O ATOM 241 CB LEU A 15 3.958 -4.807 -3.649 1.00 0.69 C ATOM 242 CG LEU A 15 2.422 -4.727 -3.596 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.909 -3.303 -3.323 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.773 -5.326 -4.854 1.00 1.55 C ATOM 0 H LEU A 15 4.416 -6.657 -1.954 1.00 0.50 H new ATOM 0 HA LEU A 15 4.196 -6.526 -4.908 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.348 -4.460 -2.692 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.307 -4.108 -4.409 1.00 0.69 H new ATOM 0 HG LEU A 15 2.117 -5.337 -2.746 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.819 -3.308 -3.297 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.294 -2.955 -2.364 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.250 -2.635 -4.114 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.689 -5.249 -4.776 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.113 -4.780 -5.734 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.057 -6.374 -4.946 1.00 1.55 H new ATOM 256 N GLU A 16 6.715 -6.358 -5.181 1.00 0.59 N ATOM 257 CA GLU A 16 8.116 -6.136 -5.367 1.00 0.63 C ATOM 258 C GLU A 16 8.204 -4.780 -5.978 1.00 0.65 C ATOM 259 O GLU A 16 7.896 -4.553 -7.147 1.00 0.81 O ATOM 260 CB GLU A 16 8.846 -7.123 -6.293 1.00 0.76 C ATOM 261 CG GLU A 16 8.925 -8.544 -5.728 1.00 1.41 C ATOM 262 CD GLU A 16 10.021 -9.395 -6.352 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.231 -9.049 -6.278 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.662 -10.532 -6.760 1.00 1.95 O ATOM 0 H GLU A 16 6.248 -6.709 -6.017 1.00 0.59 H new ATOM 0 HA GLU A 16 8.604 -6.260 -4.400 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.336 -7.151 -7.256 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.856 -6.757 -6.478 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.090 -8.488 -4.652 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.965 -9.038 -5.878 1.00 1.41 H new ATOM 271 N VAL A 17 8.514 -3.814 -5.096 1.00 0.61 N ATOM 272 CA VAL A 17 8.586 -2.421 -5.416 1.00 0.63 C ATOM 273 C VAL A 17 10.024 -2.053 -5.291 1.00 0.65 C ATOM 274 O VAL A 17 10.764 -2.836 -4.696 1.00 0.76 O ATOM 275 CB VAL A 17 7.830 -1.518 -4.488 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.391 -2.059 -4.531 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.204 -1.549 -2.997 1.00 0.92 C ATOM 0 H VAL A 17 8.724 -4.011 -4.117 1.00 0.61 H new ATOM 0 HA VAL A 17 8.147 -2.289 -6.405 1.00 0.63 H new ATOM 0 HB VAL A 17 8.027 -0.500 -4.825 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.757 -1.459 -3.878 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.013 -2.007 -5.552 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.382 -3.095 -4.193 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.576 -0.846 -2.450 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.051 -2.554 -2.604 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.251 -1.268 -2.878 1.00 0.92 H new ATOM 287 N GLU A 18 10.472 -0.900 -5.819 1.00 0.68 N ATOM 288 CA GLU A 18 11.753 -0.372 -5.465 1.00 0.74 C ATOM 289 C GLU A 18 11.477 0.766 -4.542 1.00 0.71 C ATOM 290 O GLU A 18 10.328 1.144 -4.323 1.00 0.74 O ATOM 291 CB GLU A 18 12.489 0.189 -6.694 1.00 0.88 C ATOM 292 CG GLU A 18 12.751 -0.828 -7.807 1.00 1.16 C ATOM 293 CD GLU A 18 13.557 -2.065 -7.437 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.589 -1.879 -6.737 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.180 -3.168 -7.913 1.00 2.35 O ATOM 0 H GLU A 18 9.950 -0.335 -6.489 1.00 0.68 H new ATOM 0 HA GLU A 18 12.373 -1.153 -5.025 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.905 1.013 -7.104 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.443 0.605 -6.370 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.789 -1.156 -8.200 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.269 -0.316 -8.618 1.00 1.16 H new ATOM 302 N PRO A 19 12.368 1.311 -3.768 1.00 0.74 N ATOM 303 CA PRO A 19 11.978 2.196 -2.708 1.00 0.74 C ATOM 304 C PRO A 19 11.867 3.578 -3.254 1.00 0.70 C ATOM 305 O PRO A 19 11.452 4.469 -2.515 1.00 0.74 O ATOM 306 CB PRO A 19 13.100 2.171 -1.672 1.00 0.86 C ATOM 307 CG PRO A 19 14.307 1.749 -2.526 1.00 0.95 C ATOM 308 CD PRO A 19 13.718 0.801 -3.583 1.00 0.82 C ATOM 0 HA PRO A 19 11.025 1.895 -2.272 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.249 3.145 -1.207 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.899 1.462 -0.869 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.786 2.611 -2.989 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.065 1.249 -1.923 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.289 0.827 -4.511 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.715 -0.233 -3.240 1.00 0.82 H new ATOM 316 N SER A 20 12.299 3.818 -4.504 1.00 0.70 N ATOM 317 CA SER A 20 12.146 5.123 -5.070 1.00 0.74 C ATOM 318 C SER A 20 10.855 5.258 -5.800 1.00 0.71 C ATOM 319 O SER A 20 10.532 6.332 -6.305 1.00 0.80 O ATOM 320 CB SER A 20 13.169 5.353 -6.196 1.00 0.89 C ATOM 321 OG SER A 20 13.251 4.187 -7.001 1.00 1.45 O ATOM 0 H SER A 20 12.743 3.129 -5.111 1.00 0.70 H new ATOM 0 HA SER A 20 12.243 5.808 -4.228 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.872 6.208 -6.803 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.146 5.586 -5.773 1.00 0.89 H new ATOM 0 HG SER A 20 13.901 4.331 -7.720 1.00 1.45 H new ATOM 327 N ASP A 21 10.001 4.220 -5.836 1.00 0.70 N ATOM 328 CA ASP A 21 8.662 4.156 -6.333 1.00 0.73 C ATOM 329 C ASP A 21 7.808 5.073 -5.527 1.00 0.64 C ATOM 330 O ASP A 21 8.024 5.269 -4.332 1.00 0.66 O ATOM 331 CB ASP A 21 8.043 2.763 -6.537 1.00 0.87 C ATOM 332 CG ASP A 21 8.948 1.923 -7.427 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.768 2.520 -8.174 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.870 0.665 -7.413 1.00 1.50 O ATOM 0 H ASP A 21 10.290 3.313 -5.469 1.00 0.70 H new ATOM 0 HA ASP A 21 8.716 4.492 -7.368 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.906 2.271 -5.574 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.056 2.856 -6.990 1.00 0.87 H new ATOM 339 N THR A 22 6.755 5.679 -6.104 1.00 0.63 N ATOM 340 CA THR A 22 5.859 6.454 -5.305 1.00 0.58 C ATOM 341 C THR A 22 4.636 5.697 -4.917 1.00 0.53 C ATOM 342 O THR A 22 4.402 4.626 -5.473 1.00 0.58 O ATOM 343 CB THR A 22 5.392 7.644 -6.091 1.00 0.63 C ATOM 344 OG1 THR A 22 4.929 7.256 -7.377 1.00 0.70 O ATOM 345 CG2 THR A 22 6.500 8.708 -6.170 1.00 0.75 C ATOM 0 H THR A 22 6.528 5.635 -7.097 1.00 0.63 H new ATOM 0 HA THR A 22 6.410 6.735 -4.408 1.00 0.58 H new ATOM 0 HB THR A 22 4.545 8.093 -5.572 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.629 8.048 -7.869 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.143 9.563 -6.744 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.766 9.032 -5.164 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.377 8.284 -6.659 1.00 0.75 H new ATOM 353 N ILE A 23 3.855 6.145 -3.918 1.00 0.51 N ATOM 354 CA ILE A 23 2.670 5.477 -3.476 1.00 0.48 C ATOM 355 C ILE A 23 1.644 5.435 -4.555 1.00 0.48 C ATOM 356 O ILE A 23 1.061 4.377 -4.783 1.00 0.51 O ATOM 357 CB ILE A 23 2.293 5.998 -2.121 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.449 6.031 -1.108 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.029 5.360 -1.517 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.085 4.719 -0.650 1.00 0.73 C ATOM 0 H ILE A 23 4.055 7.001 -3.400 1.00 0.51 H new ATOM 0 HA ILE A 23 2.821 4.412 -3.300 1.00 0.48 H new ATOM 0 HB ILE A 23 2.037 7.037 -2.329 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.241 6.646 -1.536 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.089 6.548 -0.218 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.833 5.797 -0.538 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.179 5.545 -2.174 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.179 4.286 -1.411 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.882 4.930 0.063 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.329 4.095 -0.174 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.498 4.195 -1.512 1.00 0.73 H new ATOM 372 N GLU A 24 1.490 6.442 -5.434 1.00 0.50 N ATOM 373 CA GLU A 24 0.847 6.364 -6.708 1.00 0.53 C ATOM 374 C GLU A 24 1.278 5.226 -7.569 1.00 0.50 C ATOM 375 O GLU A 24 0.463 4.584 -8.229 1.00 0.55 O ATOM 376 CB GLU A 24 1.061 7.677 -7.481 1.00 0.64 C ATOM 377 CG GLU A 24 0.221 7.801 -8.753 1.00 0.95 C ATOM 378 CD GLU A 24 0.351 9.197 -9.348 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.503 9.604 -9.651 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.745 9.748 -9.638 1.00 1.62 O ATOM 0 H GLU A 24 1.842 7.379 -5.238 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.205 6.191 -6.482 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.829 8.515 -6.823 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.115 7.762 -7.746 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.544 7.058 -9.482 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.825 7.592 -8.526 1.00 0.95 H new ATOM 387 N ASN A 25 2.573 4.867 -7.623 1.00 0.51 N ATOM 388 CA ASN A 25 3.146 3.847 -8.445 1.00 0.52 C ATOM 389 C ASN A 25 2.802 2.527 -7.844 1.00 0.47 C ATOM 390 O ASN A 25 2.239 1.657 -8.508 1.00 0.53 O ATOM 391 CB ASN A 25 4.631 4.181 -8.661 1.00 0.64 C ATOM 392 CG ASN A 25 5.166 3.340 -9.810 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.811 2.316 -9.586 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.031 3.886 -11.049 1.00 1.57 N ATOM 0 H ASN A 25 3.275 5.329 -7.044 1.00 0.51 H new ATOM 0 HA ASN A 25 2.742 3.793 -9.456 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.750 5.241 -8.884 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.198 3.981 -7.752 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.477 3.444 -11.853 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.483 4.737 -11.174 1.00 1.57 H new ATOM 401 N VAL A 26 2.992 2.301 -6.533 1.00 0.45 N ATOM 402 CA VAL A 26 2.598 1.172 -5.748 1.00 0.44 C ATOM 403 C VAL A 26 1.183 0.731 -5.889 1.00 0.40 C ATOM 404 O VAL A 26 0.923 -0.446 -6.135 1.00 0.44 O ATOM 405 CB VAL A 26 2.977 1.389 -4.312 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.310 0.309 -3.442 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.508 1.405 -4.172 1.00 0.62 C ATOM 0 H VAL A 26 3.478 2.991 -5.960 1.00 0.45 H new ATOM 0 HA VAL A 26 3.155 0.331 -6.161 1.00 0.44 H new ATOM 0 HB VAL A 26 2.618 2.358 -3.964 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.583 0.463 -2.398 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.227 0.374 -3.548 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.647 -0.677 -3.763 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.776 1.563 -3.127 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.914 0.452 -4.511 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.920 2.211 -4.778 1.00 0.62 H new ATOM 417 N LYS A 27 0.193 1.621 -5.693 1.00 0.40 N ATOM 418 CA LYS A 27 -1.196 1.337 -5.880 1.00 0.41 C ATOM 419 C LYS A 27 -1.513 0.718 -7.198 1.00 0.38 C ATOM 420 O LYS A 27 -2.393 -0.136 -7.293 1.00 0.42 O ATOM 421 CB LYS A 27 -2.113 2.548 -5.638 1.00 0.51 C ATOM 422 CG LYS A 27 -2.085 3.108 -4.215 1.00 0.76 C ATOM 423 CD LYS A 27 -2.836 4.412 -3.943 1.00 0.82 C ATOM 424 CE LYS A 27 -2.978 4.800 -2.470 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.066 5.753 -2.162 1.00 1.11 N ATOM 0 H LYS A 27 0.369 2.579 -5.391 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.406 0.598 -5.107 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.831 3.342 -6.330 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.137 2.263 -5.880 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.487 2.345 -3.548 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.042 3.258 -3.936 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.324 5.220 -4.465 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.833 4.333 -4.377 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.138 3.893 -1.888 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.035 5.232 -2.134 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.691 6.533 -1.585 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.455 6.133 -3.048 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.818 5.264 -1.636 1.00 1.11 H new ATOM 439 N ALA A 28 -0.757 1.083 -8.249 1.00 0.39 N ATOM 440 CA ALA A 28 -0.974 0.520 -9.546 1.00 0.39 C ATOM 441 C ALA A 28 -0.793 -0.958 -9.605 1.00 0.36 C ATOM 442 O ALA A 28 -1.493 -1.769 -10.209 1.00 0.42 O ATOM 443 CB ALA A 28 -0.241 1.215 -10.706 1.00 0.51 C ATOM 0 H ALA A 28 0.001 1.764 -8.202 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.032 0.727 -9.705 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.476 0.707 -11.641 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.561 2.255 -10.767 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.834 1.176 -10.532 1.00 0.51 H new ATOM 449 N LYS A 29 0.241 -1.434 -8.887 1.00 0.39 N ATOM 450 CA LYS A 29 0.531 -2.828 -8.754 1.00 0.43 C ATOM 451 C LYS A 29 -0.603 -3.589 -8.158 1.00 0.44 C ATOM 452 O LYS A 29 -0.950 -4.699 -8.559 1.00 0.54 O ATOM 453 CB LYS A 29 1.799 -3.083 -7.923 1.00 0.54 C ATOM 454 CG LYS A 29 2.960 -2.322 -8.565 1.00 0.65 C ATOM 455 CD LYS A 29 4.218 -2.425 -7.699 1.00 1.08 C ATOM 456 CE LYS A 29 5.577 -2.720 -8.337 1.00 1.24 C ATOM 457 NZ LYS A 29 5.690 -4.034 -9.011 1.00 1.44 N ATOM 0 H LYS A 29 0.894 -0.832 -8.385 1.00 0.39 H new ATOM 0 HA LYS A 29 0.698 -3.186 -9.770 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.651 -2.752 -6.895 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.020 -4.150 -7.886 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.161 -2.725 -9.557 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.687 -1.275 -8.696 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.314 -1.484 -7.158 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.035 -3.202 -6.957 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.796 -1.938 -9.064 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.343 -2.660 -7.564 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.457 -4.584 -8.574 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.794 -4.552 -8.914 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.899 -3.890 -10.020 1.00 1.44 H new ATOM 471 N ILE A 30 -1.307 -3.074 -7.135 1.00 0.41 N ATOM 472 CA ILE A 30 -2.460 -3.659 -6.524 1.00 0.44 C ATOM 473 C ILE A 30 -3.650 -3.616 -7.419 1.00 0.45 C ATOM 474 O ILE A 30 -4.439 -4.556 -7.509 1.00 0.56 O ATOM 475 CB ILE A 30 -2.812 -2.929 -5.263 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.552 -2.625 -4.436 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.996 -3.589 -4.537 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.872 -2.219 -2.998 1.00 1.32 C ATOM 0 H ILE A 30 -1.051 -2.185 -6.705 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.205 -4.698 -6.314 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.204 -1.939 -5.496 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -0.909 -3.505 -4.426 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.990 -1.825 -4.918 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.222 -3.032 -3.628 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.869 -3.588 -5.189 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.738 -4.616 -4.278 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.945 -2.017 -2.462 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.492 -1.322 -3.002 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.408 -3.028 -2.502 1.00 1.32 H new ATOM 490 N GLN A 31 -3.753 -2.582 -8.274 1.00 0.41 N ATOM 491 CA GLN A 31 -4.732 -2.463 -9.311 1.00 0.48 C ATOM 492 C GLN A 31 -4.498 -3.454 -10.397 1.00 0.52 C ATOM 493 O GLN A 31 -5.494 -3.879 -10.982 1.00 0.66 O ATOM 494 CB GLN A 31 -4.655 -1.112 -10.043 1.00 0.52 C ATOM 495 CG GLN A 31 -5.868 -0.880 -10.947 1.00 0.70 C ATOM 496 CD GLN A 31 -5.646 0.454 -11.643 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.404 1.397 -11.425 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.720 0.572 -12.633 1.00 1.43 N ATOM 0 H GLN A 31 -3.118 -1.785 -8.239 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.684 -2.601 -8.798 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.589 -0.307 -9.312 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.745 -1.075 -10.641 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.967 -1.685 -11.675 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.788 -0.863 -10.363 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.082 -0.199 -12.829 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.664 1.432 -13.179 1.00 1.43 H new ATOM 507 N ASP A 32 -3.240 -3.815 -10.707 1.00 0.50 N ATOM 508 CA ASP A 32 -3.087 -4.953 -11.559 1.00 0.60 C ATOM 509 C ASP A 32 -3.277 -6.287 -10.924 1.00 0.65 C ATOM 510 O ASP A 32 -3.964 -7.174 -11.429 1.00 0.81 O ATOM 511 CB ASP A 32 -1.724 -4.561 -12.153 1.00 0.67 C ATOM 512 CG ASP A 32 -1.097 -5.635 -13.030 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.767 -6.085 -13.997 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.042 -6.094 -12.745 1.00 1.55 O ATOM 0 H ASP A 32 -2.384 -3.357 -10.395 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.856 -5.136 -12.309 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.844 -3.651 -12.741 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.039 -4.326 -11.339 1.00 0.67 H new ATOM 519 N LYS A 33 -2.722 -6.546 -9.727 1.00 0.62 N ATOM 520 CA LYS A 33 -2.653 -7.810 -9.061 1.00 0.73 C ATOM 521 C LYS A 33 -4.012 -8.296 -8.691 1.00 0.69 C ATOM 522 O LYS A 33 -4.389 -9.377 -9.141 1.00 0.83 O ATOM 523 CB LYS A 33 -1.928 -7.671 -7.712 1.00 0.85 C ATOM 524 CG LYS A 33 -0.409 -7.701 -7.895 1.00 1.31 C ATOM 525 CD LYS A 33 0.116 -9.137 -7.861 1.00 1.71 C ATOM 526 CE LYS A 33 1.645 -9.133 -7.936 1.00 2.26 C ATOM 527 NZ LYS A 33 2.137 -10.481 -8.298 1.00 2.62 N ATOM 0 H LYS A 33 -2.284 -5.806 -9.179 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.144 -8.485 -9.749 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.221 -6.737 -7.233 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.233 -8.479 -7.047 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.144 -7.235 -8.844 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.068 -7.116 -7.108 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.211 -9.632 -6.946 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.297 -9.704 -8.695 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.979 -8.404 -8.674 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.064 -8.829 -6.976 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.176 -10.470 -8.347 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.832 -11.167 -7.578 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.750 -10.755 -9.224 1.00 2.62 H new ATOM 541 N GLU A 34 -4.727 -7.520 -7.858 1.00 0.63 N ATOM 542 CA GLU A 34 -5.914 -7.900 -7.158 1.00 0.67 C ATOM 543 C GLU A 34 -7.096 -7.269 -7.811 1.00 0.69 C ATOM 544 O GLU A 34 -8.165 -7.843 -8.012 1.00 0.95 O ATOM 545 CB GLU A 34 -5.763 -7.467 -5.690 1.00 0.73 C ATOM 546 CG GLU A 34 -6.831 -7.993 -4.729 1.00 0.83 C ATOM 547 CD GLU A 34 -7.032 -9.494 -4.575 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.340 -10.281 -5.275 1.00 1.48 O ATOM 549 OE2 GLU A 34 -7.822 -9.955 -3.710 1.00 1.37 O ATOM 0 H GLU A 34 -4.455 -6.557 -7.660 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.065 -8.979 -7.188 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -4.787 -7.794 -5.333 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -5.769 -6.378 -5.649 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -6.607 -7.591 -3.741 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -7.785 -7.566 -5.037 1.00 0.83 H new ATOM 556 N GLY A 35 -6.958 -6.022 -8.297 1.00 0.63 N ATOM 557 CA GLY A 35 -7.933 -5.406 -9.142 1.00 0.68 C ATOM 558 C GLY A 35 -8.715 -4.369 -8.411 1.00 0.76 C ATOM 559 O GLY A 35 -9.945 -4.365 -8.396 1.00 1.12 O ATOM 0 H GLY A 35 -6.152 -5.430 -8.098 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.437 -4.951 -10.000 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.610 -6.166 -9.531 1.00 0.68 H new ATOM 563 N ILE A 36 -8.058 -3.596 -7.527 1.00 0.70 N ATOM 564 CA ILE A 36 -8.687 -2.640 -6.670 1.00 0.76 C ATOM 565 C ILE A 36 -8.261 -1.297 -7.154 1.00 0.71 C ATOM 566 O ILE A 36 -7.068 -1.034 -7.301 1.00 0.73 O ATOM 567 CB ILE A 36 -8.314 -2.840 -5.231 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.627 -4.253 -4.711 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.896 -1.734 -4.335 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.844 -4.669 -3.467 1.00 1.16 C ATOM 0 H ILE A 36 -7.046 -3.639 -7.405 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.771 -2.751 -6.709 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.229 -2.753 -5.181 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.692 -4.315 -4.489 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.425 -4.970 -5.506 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.604 -1.913 -3.300 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.513 -0.766 -4.657 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.983 -1.738 -4.412 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.133 -5.679 -3.176 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.776 -4.645 -3.684 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.064 -3.980 -2.652 1.00 1.16 H new ATOM 582 N PRO A 37 -9.092 -0.372 -7.533 1.00 0.75 N ATOM 583 CA PRO A 37 -8.666 0.945 -7.905 1.00 0.79 C ATOM 584 C PRO A 37 -7.904 1.718 -6.885 1.00 0.75 C ATOM 585 O PRO A 37 -8.335 1.608 -5.738 1.00 0.75 O ATOM 586 CB PRO A 37 -9.956 1.640 -8.335 1.00 0.95 C ATOM 587 CG PRO A 37 -11.119 0.830 -7.743 1.00 1.02 C ATOM 588 CD PRO A 37 -10.529 -0.584 -7.633 1.00 0.85 C ATOM 0 HA PRO A 37 -7.916 0.879 -8.693 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.979 2.668 -7.975 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.028 1.681 -9.422 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.427 1.216 -6.771 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.997 0.853 -8.388 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.915 -1.108 -6.759 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.781 -1.188 -8.504 1.00 0.85 H new ATOM 596 N PRO A 38 -6.898 2.492 -7.167 1.00 0.81 N ATOM 597 CA PRO A 38 -6.039 3.178 -6.247 1.00 0.85 C ATOM 598 C PRO A 38 -6.778 4.207 -5.462 1.00 0.89 C ATOM 599 O PRO A 38 -6.485 4.390 -4.281 1.00 0.99 O ATOM 600 CB PRO A 38 -4.976 3.866 -7.100 1.00 1.01 C ATOM 601 CG PRO A 38 -4.796 2.915 -8.294 1.00 1.25 C ATOM 602 CD PRO A 38 -6.176 2.249 -8.407 1.00 0.98 C ATOM 0 HA PRO A 38 -5.615 2.474 -5.531 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.300 4.856 -7.422 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.045 3.998 -6.549 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.531 3.453 -9.204 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.007 2.184 -8.114 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.727 2.657 -9.254 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.069 1.178 -8.582 1.00 0.98 H new ATOM 610 N ASP A 39 -7.811 4.893 -5.983 1.00 0.96 N ATOM 611 CA ASP A 39 -8.770 5.734 -5.339 1.00 1.11 C ATOM 612 C ASP A 39 -9.433 5.106 -4.162 1.00 1.00 C ATOM 613 O ASP A 39 -9.617 5.818 -3.175 1.00 1.14 O ATOM 614 CB ASP A 39 -9.823 6.062 -6.411 1.00 1.39 C ATOM 615 CG ASP A 39 -9.325 7.247 -7.227 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.779 8.174 -6.571 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.349 7.263 -8.487 1.00 2.23 O ATOM 0 H ASP A 39 -7.992 4.848 -6.986 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.263 6.614 -4.944 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.988 5.200 -7.057 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.779 6.298 -5.944 1.00 1.39 H new ATOM 622 N GLN A 40 -9.770 3.806 -4.220 1.00 0.87 N ATOM 623 CA GLN A 40 -10.376 3.099 -3.135 1.00 0.84 C ATOM 624 C GLN A 40 -9.383 2.630 -2.129 1.00 0.67 C ATOM 625 O GLN A 40 -9.682 2.148 -1.037 1.00 0.80 O ATOM 626 CB GLN A 40 -11.279 1.917 -3.529 1.00 0.95 C ATOM 627 CG GLN A 40 -12.545 2.304 -4.297 1.00 1.32 C ATOM 628 CD GLN A 40 -13.428 1.147 -4.740 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.066 -0.102 -4.344 1.00 1.70 O flip ATOM 630 NE2 GLN A 40 -14.384 1.293 -5.501 1.00 2.02 N flip ATOM 0 H GLN A 40 -9.616 3.229 -5.047 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.025 3.858 -2.698 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.700 1.223 -4.138 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.569 1.382 -2.624 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.138 2.970 -3.671 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.253 2.872 -5.180 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.659 2.228 -5.801 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.901 0.479 -5.832 1.00 2.02 H new ATOM 639 N GLN A 41 -8.070 2.802 -2.366 1.00 0.56 N ATOM 640 CA GLN A 41 -7.105 2.120 -1.562 1.00 0.51 C ATOM 641 C GLN A 41 -6.596 3.072 -0.535 1.00 0.49 C ATOM 642 O GLN A 41 -5.850 3.999 -0.845 1.00 0.65 O ATOM 643 CB GLN A 41 -5.869 1.735 -2.392 1.00 0.67 C ATOM 644 CG GLN A 41 -6.199 0.504 -3.238 1.00 0.69 C ATOM 645 CD GLN A 41 -4.990 0.171 -4.100 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.817 0.338 -3.767 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.323 -0.264 -5.345 1.00 0.61 N ATOM 0 H GLN A 41 -7.683 3.399 -3.097 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.585 1.237 -1.141 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.574 2.565 -3.034 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.025 1.525 -1.735 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.450 -0.340 -2.596 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.069 0.698 -3.865 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.303 -0.394 -5.595 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.592 -0.460 -6.029 1.00 0.61 H new ATOM 656 N ARG A 42 -6.879 2.826 0.756 1.00 0.47 N ATOM 657 CA ARG A 42 -6.141 3.469 1.799 1.00 0.55 C ATOM 658 C ARG A 42 -4.989 2.563 2.065 1.00 0.46 C ATOM 659 O ARG A 42 -5.072 1.419 2.510 1.00 0.52 O ATOM 660 CB ARG A 42 -6.859 3.663 3.145 1.00 0.73 C ATOM 661 CG ARG A 42 -8.210 4.367 3.011 1.00 1.04 C ATOM 662 CD ARG A 42 -8.880 4.604 4.366 1.00 1.28 C ATOM 663 NE ARG A 42 -10.180 5.303 4.166 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.341 6.646 4.342 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.289 7.516 4.305 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.604 7.156 4.431 1.00 2.78 N ATOM 0 H ARG A 42 -7.609 2.190 1.076 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.915 4.476 1.448 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.008 2.690 3.613 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.219 4.242 3.811 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -8.070 5.323 2.506 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.869 3.767 2.383 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.041 3.653 4.874 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.229 5.201 5.005 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.989 4.750 3.884 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.344 7.167 4.141 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.448 8.514 4.441 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -12.411 6.535 4.366 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.741 8.158 4.563 1.00 2.78 H new ATOM 680 N LEU A 43 -3.728 3.023 1.967 1.00 0.46 N ATOM 681 CA LEU A 43 -2.549 2.280 2.287 1.00 0.42 C ATOM 682 C LEU A 43 -2.022 2.899 3.536 1.00 0.43 C ATOM 683 O LEU A 43 -1.719 4.091 3.535 1.00 0.55 O ATOM 684 CB LEU A 43 -1.590 2.244 1.086 1.00 0.55 C ATOM 685 CG LEU A 43 -2.173 1.348 -0.020 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.131 1.337 -1.151 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.594 -0.090 0.329 1.00 1.12 C ATOM 0 H LEU A 43 -3.521 3.969 1.646 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.726 1.222 2.481 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.433 3.253 0.704 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.616 1.866 1.398 1.00 0.55 H new ATOM 0 HG LEU A 43 -3.135 1.790 -0.279 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.490 0.714 -1.970 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.974 2.354 -1.511 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -0.190 0.936 -0.775 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.983 -0.582 -0.563 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.731 -0.642 0.700 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.367 -0.067 1.097 1.00 1.12 H new ATOM 699 N ILE A 44 -1.947 2.063 4.587 1.00 0.42 N ATOM 700 CA ILE A 44 -1.482 2.342 5.910 1.00 0.46 C ATOM 701 C ILE A 44 -0.167 1.708 6.212 1.00 0.42 C ATOM 702 O ILE A 44 -0.002 0.508 5.999 1.00 0.53 O ATOM 703 CB ILE A 44 -2.485 1.904 6.937 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.920 2.266 6.519 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.183 2.438 8.347 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.268 3.754 6.515 1.00 1.27 C ATOM 0 H ILE A 44 -2.244 1.091 4.497 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.350 3.423 5.956 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.400 0.818 6.986 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.095 1.871 5.518 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.611 1.755 7.189 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.946 2.085 9.041 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.205 2.081 8.670 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.184 3.528 8.331 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.304 3.884 6.204 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.136 4.161 7.517 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.612 4.279 5.821 1.00 1.27 H new ATOM 718 N PHE A 45 0.665 2.593 6.790 1.00 0.42 N ATOM 719 CA PHE A 45 1.942 2.184 7.286 1.00 0.46 C ATOM 720 C PHE A 45 2.160 2.678 8.675 1.00 0.68 C ATOM 721 O PHE A 45 2.190 3.899 8.821 1.00 1.50 O ATOM 722 CB PHE A 45 3.051 2.778 6.401 1.00 0.56 C ATOM 723 CG PHE A 45 4.418 2.363 6.829 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.886 1.076 6.956 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.305 3.384 7.079 1.00 1.19 C ATOM 726 CE1 PHE A 45 6.211 0.742 7.107 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.632 3.093 7.294 1.00 1.33 C ATOM 728 CZ PHE A 45 7.079 1.794 7.286 1.00 1.02 C ATOM 0 H PHE A 45 0.456 3.584 6.913 1.00 0.42 H new ATOM 0 HA PHE A 45 1.970 1.094 7.275 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.889 2.469 5.368 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.983 3.866 6.423 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.164 0.273 6.936 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.962 4.408 7.106 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.550 -0.283 7.086 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.332 3.896 7.471 1.00 1.33 H new ATOM 0 HZ PHE A 45 8.132 1.595 7.423 1.00 1.02 H new ATOM 738 N ALA A 46 2.254 1.790 9.681 1.00 0.81 N ATOM 739 CA ALA A 46 2.430 2.075 11.071 1.00 0.96 C ATOM 740 C ALA A 46 1.307 2.858 11.659 1.00 0.97 C ATOM 741 O ALA A 46 0.347 2.227 12.100 1.00 1.21 O ATOM 742 CB ALA A 46 3.798 2.706 11.379 1.00 1.20 C ATOM 0 H ALA A 46 2.202 0.787 9.504 1.00 0.81 H new ATOM 0 HA ALA A 46 2.413 1.105 11.568 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.876 2.901 12.449 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.591 2.022 11.076 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.898 3.643 10.831 1.00 1.20 H new ATOM 748 N GLY A 47 1.345 4.202 11.702 1.00 0.99 N ATOM 749 CA GLY A 47 0.308 5.093 12.123 1.00 1.10 C ATOM 750 C GLY A 47 0.101 6.219 11.170 1.00 1.03 C ATOM 751 O GLY A 47 -0.602 7.195 11.428 1.00 1.30 O ATOM 0 H GLY A 47 2.181 4.710 11.415 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.623 4.537 12.231 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.555 5.494 13.106 1.00 1.10 H new ATOM 755 N LYS A 48 0.513 5.999 9.908 1.00 0.98 N ATOM 756 CA LYS A 48 0.402 6.977 8.870 1.00 1.05 C ATOM 757 C LYS A 48 -0.377 6.427 7.726 1.00 0.84 C ATOM 758 O LYS A 48 -0.219 5.291 7.278 1.00 0.81 O ATOM 759 CB LYS A 48 1.751 7.312 8.213 1.00 1.42 C ATOM 760 CG LYS A 48 2.617 8.241 9.068 1.00 1.61 C ATOM 761 CD LYS A 48 2.106 9.681 9.142 1.00 1.87 C ATOM 762 CE LYS A 48 3.098 10.843 9.244 1.00 2.22 C ATOM 763 NZ LYS A 48 2.360 12.075 9.600 1.00 2.55 N ATOM 0 H LYS A 48 0.933 5.121 9.602 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.046 7.843 9.357 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.297 6.387 8.024 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.571 7.780 7.245 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.677 7.836 10.078 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.630 8.247 8.666 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.495 9.854 8.256 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.442 9.745 10.004 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.855 10.627 9.997 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.620 10.977 8.297 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 3.026 12.870 9.672 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 1.653 12.281 8.866 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 1.881 11.941 10.514 1.00 2.55 H new ATOM 777 N GLN A 49 -1.397 7.148 7.227 1.00 0.84 N ATOM 778 CA GLN A 49 -2.147 6.861 6.045 1.00 0.80 C ATOM 779 C GLN A 49 -1.392 7.506 4.935 1.00 0.72 C ATOM 780 O GLN A 49 -1.015 8.673 5.016 1.00 0.83 O ATOM 781 CB GLN A 49 -3.531 7.517 6.186 1.00 1.03 C ATOM 782 CG GLN A 49 -4.301 7.396 4.870 1.00 1.67 C ATOM 783 CD GLN A 49 -5.651 8.093 4.970 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.676 7.563 5.394 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.682 9.370 4.505 1.00 2.48 N ATOM 0 H GLN A 49 -1.721 7.998 7.688 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.280 5.793 5.870 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.090 7.038 6.990 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.420 8.567 6.457 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.718 7.835 4.060 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.447 6.344 4.623 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.829 9.806 4.154 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.558 9.892 4.507 1.00 2.48 H new ATOM 794 N LEU A 50 -1.022 6.749 3.886 1.00 0.69 N ATOM 795 CA LEU A 50 -0.003 7.138 2.961 1.00 0.66 C ATOM 796 C LEU A 50 -0.523 8.068 1.920 1.00 0.72 C ATOM 797 O LEU A 50 -1.469 7.739 1.206 1.00 0.90 O ATOM 798 CB LEU A 50 0.729 5.965 2.287 1.00 0.65 C ATOM 799 CG LEU A 50 1.520 5.013 3.201 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.138 3.861 2.391 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.568 5.791 4.016 1.00 0.74 C ATOM 0 H LEU A 50 -1.442 5.844 3.676 1.00 0.69 H new ATOM 0 HA LEU A 50 0.733 7.654 3.577 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.008 5.375 1.741 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.418 6.376 1.549 1.00 0.65 H new ATOM 0 HG LEU A 50 0.833 4.560 3.915 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.692 3.202 3.060 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.346 3.296 1.899 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.815 4.267 1.639 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.117 5.100 4.656 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.262 6.286 3.337 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.068 6.538 4.633 1.00 0.74 H new ATOM 813 N GLU A 51 0.077 9.249 1.691 1.00 0.70 N ATOM 814 CA GLU A 51 -0.166 10.131 0.593 1.00 0.76 C ATOM 815 C GLU A 51 0.466 9.642 -0.664 1.00 0.77 C ATOM 816 O GLU A 51 1.554 9.069 -0.633 1.00 1.23 O ATOM 817 CB GLU A 51 0.363 11.540 0.911 1.00 0.88 C ATOM 818 CG GLU A 51 -0.161 12.099 2.235 1.00 1.35 C ATOM 819 CD GLU A 51 0.431 13.487 2.432 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.603 13.596 2.882 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.241 14.532 2.226 1.00 1.94 O ATOM 0 H GLU A 51 0.788 9.615 2.325 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.245 10.165 0.442 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.452 11.513 0.942 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.084 12.216 0.103 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.250 12.148 2.223 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.119 11.445 3.061 1.00 1.35 H new ATOM 828 N ASP A 52 -0.188 9.946 -1.799 1.00 0.66 N ATOM 829 CA ASP A 52 0.097 9.460 -3.114 1.00 0.65 C ATOM 830 C ASP A 52 1.393 9.699 -3.809 1.00 0.60 C ATOM 831 O ASP A 52 2.135 8.769 -4.121 1.00 0.62 O ATOM 832 CB ASP A 52 -1.030 9.729 -4.126 1.00 0.81 C ATOM 833 CG ASP A 52 -2.284 8.876 -4.006 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.365 8.126 -2.998 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.236 9.073 -4.809 1.00 1.56 O ATOM 0 H ASP A 52 -0.983 10.586 -1.795 1.00 0.66 H new ATOM 0 HA ASP A 52 0.192 8.421 -2.798 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.322 10.775 -4.037 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.624 9.595 -5.129 1.00 0.81 H new ATOM 840 N GLY A 53 1.701 10.967 -4.135 1.00 0.68 N ATOM 841 CA GLY A 53 2.957 11.194 -4.780 1.00 0.73 C ATOM 842 C GLY A 53 4.221 11.363 -4.011 1.00 0.72 C ATOM 843 O GLY A 53 5.103 12.102 -4.445 1.00 0.97 O ATOM 0 H GLY A 53 1.122 11.789 -3.966 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.114 10.360 -5.464 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.839 12.089 -5.391 1.00 0.73 H new ATOM 847 N ARG A 54 4.314 10.664 -2.865 1.00 0.64 N ATOM 848 CA ARG A 54 5.556 10.581 -2.161 1.00 0.63 C ATOM 849 C ARG A 54 6.063 9.221 -2.499 1.00 0.59 C ATOM 850 O ARG A 54 5.303 8.283 -2.733 1.00 0.62 O ATOM 851 CB ARG A 54 5.357 10.736 -0.644 1.00 0.69 C ATOM 852 CG ARG A 54 4.729 12.068 -0.230 1.00 0.82 C ATOM 853 CD ARG A 54 4.881 12.573 1.207 1.00 1.18 C ATOM 854 NE ARG A 54 3.801 13.573 1.436 1.00 1.50 N ATOM 855 CZ ARG A 54 3.706 14.831 0.913 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.800 15.444 0.374 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.602 15.631 0.981 1.00 2.49 N ATOM 0 H ARG A 54 3.540 10.162 -2.430 1.00 0.64 H new ATOM 0 HA ARG A 54 6.248 11.374 -2.442 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.726 9.922 -0.286 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.323 10.632 -0.149 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.135 12.836 -0.888 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.661 12.002 -0.439 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.799 11.749 1.916 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.862 13.025 1.355 1.00 1.18 H new ATOM 0 HE ARG A 54 3.044 13.285 2.056 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.699 14.962 0.359 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.719 16.384 -0.014 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.760 15.299 1.452 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.619 16.560 0.561 1.00 2.49 H new ATOM 871 N THR A 55 7.397 9.056 -2.452 1.00 0.63 N ATOM 872 CA THR A 55 8.201 7.880 -2.558 1.00 0.61 C ATOM 873 C THR A 55 8.173 7.117 -1.279 1.00 0.59 C ATOM 874 O THR A 55 8.010 7.663 -0.189 1.00 0.64 O ATOM 875 CB THR A 55 9.594 8.027 -3.096 1.00 0.68 C ATOM 876 OG1 THR A 55 10.558 8.530 -2.183 1.00 0.75 O ATOM 877 CG2 THR A 55 9.519 9.004 -4.282 1.00 0.76 C ATOM 0 H THR A 55 7.993 9.873 -2.320 1.00 0.63 H new ATOM 0 HA THR A 55 7.720 7.313 -3.355 1.00 0.61 H new ATOM 0 HB THR A 55 9.930 7.023 -3.356 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.352 8.827 -2.676 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.514 9.140 -4.705 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.853 8.600 -5.045 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.136 9.965 -3.938 1.00 0.76 H new ATOM 885 N LEU A 56 8.394 5.795 -1.400 1.00 0.58 N ATOM 886 CA LEU A 56 8.571 4.906 -0.294 1.00 0.59 C ATOM 887 C LEU A 56 9.737 5.294 0.548 1.00 0.64 C ATOM 888 O LEU A 56 9.661 5.217 1.774 1.00 0.70 O ATOM 889 CB LEU A 56 8.706 3.474 -0.837 1.00 0.60 C ATOM 890 CG LEU A 56 7.429 3.010 -1.559 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.685 2.386 -2.942 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.567 2.153 -0.616 1.00 1.03 C ATOM 0 H LEU A 56 8.452 5.327 -2.305 1.00 0.58 H new ATOM 0 HA LEU A 56 7.701 4.963 0.360 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.550 3.425 -1.525 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.925 2.793 -0.014 1.00 0.60 H new ATOM 0 HG LEU A 56 6.844 3.896 -1.805 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.736 2.084 -3.386 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.171 3.118 -3.587 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.329 1.513 -2.834 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.666 1.831 -1.139 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.135 1.278 -0.298 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.288 2.742 0.258 1.00 1.03 H new ATOM 904 N SER A 57 10.879 5.685 -0.043 1.00 0.68 N ATOM 905 CA SER A 57 12.089 6.109 0.592 1.00 0.75 C ATOM 906 C SER A 57 11.857 7.261 1.507 1.00 0.76 C ATOM 907 O SER A 57 12.425 7.310 2.596 1.00 0.84 O ATOM 908 CB SER A 57 13.288 6.476 -0.300 1.00 0.84 C ATOM 909 OG SER A 57 13.023 7.499 -1.247 1.00 1.19 O ATOM 0 H SER A 57 10.962 5.706 -1.059 1.00 0.68 H new ATOM 0 HA SER A 57 12.373 5.195 1.114 1.00 0.75 H new ATOM 0 HB2 SER A 57 14.115 6.792 0.336 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.617 5.583 -0.831 1.00 0.84 H new ATOM 0 HG SER A 57 12.060 7.677 -1.275 1.00 1.19 H new ATOM 915 N ASP A 58 10.948 8.168 1.109 1.00 0.75 N ATOM 916 CA ASP A 58 10.610 9.374 1.799 1.00 0.78 C ATOM 917 C ASP A 58 9.947 9.095 3.103 1.00 0.77 C ATOM 918 O ASP A 58 10.304 9.621 4.156 1.00 0.86 O ATOM 919 CB ASP A 58 9.804 10.284 0.856 1.00 0.83 C ATOM 920 CG ASP A 58 10.178 11.749 1.034 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.398 12.061 1.009 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.238 12.584 1.115 1.00 1.86 O ATOM 0 H ASP A 58 10.414 8.051 0.248 1.00 0.75 H new ATOM 0 HA ASP A 58 11.515 9.917 2.071 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.981 9.986 -0.177 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.739 10.154 1.047 1.00 0.83 H new ATOM 927 N TYR A 59 8.980 8.161 3.071 1.00 0.72 N ATOM 928 CA TYR A 59 8.369 7.622 4.247 1.00 0.73 C ATOM 929 C TYR A 59 9.193 6.695 5.072 1.00 0.76 C ATOM 930 O TYR A 59 8.858 6.333 6.199 1.00 0.89 O ATOM 931 CB TYR A 59 6.989 7.008 3.957 1.00 0.73 C ATOM 932 CG TYR A 59 5.910 8.010 3.735 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.194 8.474 4.815 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.551 8.420 2.473 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.108 9.302 4.658 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.333 9.023 2.261 1.00 0.70 C ATOM 937 CZ TYR A 59 3.683 9.515 3.367 1.00 0.74 C ATOM 938 OH TYR A 59 2.364 10.006 3.261 1.00 0.86 O ATOM 0 H TYR A 59 8.613 7.770 2.204 1.00 0.72 H new ATOM 0 HA TYR A 59 8.255 8.507 4.874 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.065 6.371 3.076 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.707 6.366 4.791 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.493 8.180 5.810 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.228 8.268 1.645 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.615 9.761 5.502 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.908 9.106 1.272 1.00 0.70 H new ATOM 0 HH TYR A 59 2.374 10.876 2.810 1.00 0.86 H new ATOM 948 N ASN A 60 10.362 6.305 4.532 1.00 0.74 N ATOM 949 CA ASN A 60 11.285 5.386 5.124 1.00 0.79 C ATOM 950 C ASN A 60 10.693 4.035 5.327 1.00 0.75 C ATOM 951 O ASN A 60 10.724 3.531 6.448 1.00 0.86 O ATOM 952 CB ASN A 60 11.944 5.908 6.412 1.00 0.95 C ATOM 953 CG ASN A 60 12.553 7.265 6.091 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.487 7.331 5.294 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.055 8.362 6.722 1.00 1.83 N ATOM 0 H ASN A 60 10.681 6.653 3.628 1.00 0.74 H new ATOM 0 HA ASN A 60 12.087 5.289 4.393 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.208 5.996 7.211 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.711 5.215 6.759 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.458 9.281 6.541 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.279 8.265 7.377 1.00 1.83 H new ATOM 962 N ILE A 61 10.135 3.479 4.237 1.00 0.67 N ATOM 963 CA ILE A 61 9.550 2.189 4.042 1.00 0.65 C ATOM 964 C ILE A 61 10.679 1.312 3.622 1.00 0.66 C ATOM 965 O ILE A 61 11.213 1.552 2.540 1.00 0.75 O ATOM 966 CB ILE A 61 8.423 2.216 3.052 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.353 3.125 3.678 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.926 0.799 2.722 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.164 3.487 2.790 1.00 0.82 C ATOM 0 H ILE A 61 10.091 4.017 3.371 1.00 0.67 H new ATOM 0 HA ILE A 61 9.081 1.814 4.952 1.00 0.65 H new ATOM 0 HB ILE A 61 8.728 2.612 2.083 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.973 2.637 4.575 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.834 4.049 3.997 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.110 0.858 2.002 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.743 0.217 2.297 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.572 0.316 3.633 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.480 4.131 3.343 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.519 4.012 1.903 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.644 2.577 2.490 1.00 0.82 H new ATOM 981 N GLN A 62 11.069 0.316 4.439 1.00 0.67 N ATOM 982 CA GLN A 62 12.127 -0.564 4.054 1.00 0.70 C ATOM 983 C GLN A 62 11.693 -1.880 3.505 1.00 0.62 C ATOM 984 O GLN A 62 10.503 -2.092 3.276 1.00 0.64 O ATOM 985 CB GLN A 62 12.965 -0.849 5.312 1.00 0.85 C ATOM 986 CG GLN A 62 13.285 0.316 6.250 1.00 1.27 C ATOM 987 CD GLN A 62 14.136 1.405 5.612 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.518 1.319 4.446 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.272 2.527 6.368 1.00 2.16 N ATOM 0 H GLN A 62 10.658 0.122 5.352 1.00 0.67 H new ATOM 0 HA GLN A 62 12.669 -0.060 3.254 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.444 -1.610 5.893 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.910 -1.286 4.990 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.351 0.756 6.599 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.803 -0.069 7.128 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.935 2.537 7.331 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.711 3.358 5.972 1.00 2.16 H new ATOM 998 N LYS A 63 12.611 -2.844 3.310 1.00 0.64 N ATOM 999 CA LYS A 63 12.341 -4.175 2.862 1.00 0.62 C ATOM 1000 C LYS A 63 11.554 -4.927 3.881 1.00 0.59 C ATOM 1001 O LYS A 63 11.645 -4.736 5.092 1.00 0.66 O ATOM 1002 CB LYS A 63 13.594 -4.934 2.394 1.00 0.74 C ATOM 1003 CG LYS A 63 14.713 -5.094 3.426 1.00 0.89 C ATOM 1004 CD LYS A 63 16.109 -5.446 2.909 1.00 1.11 C ATOM 1005 CE LYS A 63 16.137 -6.815 2.227 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.169 -7.906 3.227 1.00 2.12 N ATOM 0 H LYS A 63 13.604 -2.683 3.476 1.00 0.64 H new ATOM 0 HA LYS A 63 11.726 -4.088 1.966 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.289 -5.927 2.063 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.001 -4.419 1.524 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.788 -4.163 3.987 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.411 -5.868 4.131 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.438 -4.683 2.204 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.816 -5.439 3.739 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.259 -6.926 1.591 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.011 -6.885 1.579 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.188 -8.824 2.739 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.020 -7.811 3.818 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.322 -7.851 3.828 1.00 2.12 H new ATOM 1020 N GLU A 64 10.621 -5.720 3.326 1.00 0.57 N ATOM 1021 CA GLU A 64 9.803 -6.671 4.014 1.00 0.58 C ATOM 1022 C GLU A 64 8.828 -6.042 4.948 1.00 0.56 C ATOM 1023 O GLU A 64 8.285 -6.724 5.816 1.00 0.70 O ATOM 1024 CB GLU A 64 10.734 -7.712 4.658 1.00 0.72 C ATOM 1025 CG GLU A 64 11.398 -8.589 3.595 1.00 0.96 C ATOM 1026 CD GLU A 64 12.293 -9.715 4.091 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.572 -9.811 5.316 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.843 -10.395 3.184 1.00 1.69 O ATOM 0 H GLU A 64 10.425 -5.694 2.325 1.00 0.57 H new ATOM 0 HA GLU A 64 9.150 -7.184 3.308 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.499 -7.206 5.246 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.165 -8.337 5.346 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.613 -9.027 2.978 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.992 -7.945 2.946 1.00 0.96 H new ATOM 1035 N SER A 65 8.460 -4.776 4.678 1.00 0.51 N ATOM 1036 CA SER A 65 7.603 -3.988 5.508 1.00 0.51 C ATOM 1037 C SER A 65 6.171 -4.382 5.395 1.00 0.43 C ATOM 1038 O SER A 65 5.685 -4.843 4.363 1.00 0.50 O ATOM 1039 CB SER A 65 7.763 -2.518 5.082 1.00 0.65 C ATOM 1040 OG SER A 65 9.108 -2.117 5.296 1.00 1.04 O ATOM 0 H SER A 65 8.774 -4.280 3.844 1.00 0.51 H new ATOM 0 HA SER A 65 7.891 -4.144 6.548 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.498 -2.400 4.031 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.086 -1.884 5.655 1.00 0.65 H new ATOM 0 HG SER A 65 9.670 -2.457 4.569 1.00 1.04 H new ATOM 1046 N THR A 66 5.479 -4.285 6.544 1.00 0.45 N ATOM 1047 CA THR A 66 4.118 -4.724 6.549 1.00 0.45 C ATOM 1048 C THR A 66 3.237 -3.536 6.371 1.00 0.43 C ATOM 1049 O THR A 66 3.314 -2.602 7.168 1.00 0.58 O ATOM 1050 CB THR A 66 3.614 -5.337 7.822 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.539 -6.267 8.368 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.300 -6.101 7.585 1.00 0.78 C ATOM 0 H THR A 66 5.837 -3.922 7.428 1.00 0.45 H new ATOM 0 HA THR A 66 4.092 -5.478 5.762 1.00 0.45 H new ATOM 0 HB THR A 66 3.466 -4.507 8.513 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.175 -6.643 9.197 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.957 -6.535 8.524 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.543 -5.414 7.205 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.467 -6.895 6.858 1.00 0.78 H new ATOM 1060 N LEU A 67 2.359 -3.504 5.353 1.00 0.38 N ATOM 1061 CA LEU A 67 1.463 -2.406 5.157 1.00 0.38 C ATOM 1062 C LEU A 67 0.106 -3.022 5.184 1.00 0.37 C ATOM 1063 O LEU A 67 -0.043 -4.241 5.105 1.00 0.50 O ATOM 1064 CB LEU A 67 1.618 -1.831 3.739 1.00 0.46 C ATOM 1065 CG LEU A 67 2.366 -0.487 3.711 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.873 -0.545 4.014 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.379 0.194 2.333 1.00 1.31 C ATOM 0 H LEU A 67 2.269 -4.246 4.659 1.00 0.38 H new ATOM 0 HA LEU A 67 1.640 -1.626 5.898 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.152 -2.550 3.118 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.630 -1.700 3.297 1.00 0.46 H new ATOM 0 HG LEU A 67 1.800 0.041 4.479 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.293 0.460 3.966 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.028 -0.955 5.012 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.368 -1.181 3.279 1.00 1.40 H new ATOM 0 HD21 LEU A 67 2.925 1.135 2.397 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.866 -0.459 1.609 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.355 0.390 2.014 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.927 -2.180 5.367 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.273 -2.613 5.577 1.00 0.37 C ATOM 1081 C HIS A 68 -3.220 -1.823 4.741 1.00 0.35 C ATOM 1082 O HIS A 68 -3.362 -0.602 4.784 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.537 -2.261 7.051 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.918 -3.203 8.040 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.730 -2.959 8.700 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.419 -4.339 8.593 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.528 -3.984 9.570 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.529 -4.842 9.520 1.00 1.51 N ATOM 0 H HIS A 68 -0.822 -1.165 5.369 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.406 -3.666 5.329 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.162 -1.256 7.243 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.614 -2.237 7.218 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.372 -4.782 8.344 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.334 -4.082 10.214 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.626 -5.703 10.058 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.818 -2.515 3.757 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.833 -2.058 2.858 1.00 0.38 C ATOM 1098 C LEU A 69 -6.150 -1.922 3.541 1.00 0.41 C ATOM 1099 O LEU A 69 -6.537 -2.915 4.155 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.987 -2.831 1.537 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.604 -2.112 0.327 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.274 -2.707 -1.053 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -7.137 -2.210 0.415 1.00 1.14 C ATOM 0 H LEU A 69 -3.566 -3.486 3.574 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.465 -1.079 2.552 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.998 -3.183 1.243 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.592 -3.714 1.740 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.187 -1.106 0.384 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.763 -2.118 -1.829 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.195 -2.688 -1.209 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -5.630 -3.736 -1.100 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.584 -1.702 -0.440 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -7.435 -3.258 0.411 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.479 -1.739 1.336 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.817 -0.754 3.558 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.124 -0.540 4.098 1.00 0.56 C ATOM 1117 C VAL A 70 -8.870 0.008 2.930 1.00 0.55 C ATOM 1118 O VAL A 70 -8.446 0.897 2.191 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.161 0.286 5.348 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.612 0.090 5.819 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.162 -0.342 6.334 1.00 0.97 C ATOM 0 H VAL A 70 -6.415 0.098 3.168 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.583 -1.450 4.485 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.900 1.339 5.238 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.775 0.651 6.740 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.296 0.449 5.050 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.795 -0.969 6.002 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.157 0.231 7.261 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.456 -1.370 6.544 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.164 -0.332 5.896 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.113 -0.419 2.644 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.765 0.030 1.454 1.00 0.84 C ATOM 1133 C LEU A 71 -11.697 1.155 1.747 1.00 0.85 C ATOM 1134 O LEU A 71 -12.486 1.074 2.687 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.562 -1.167 0.909 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.907 -1.142 -0.589 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.593 -1.491 -1.309 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -13.017 -2.170 -0.864 1.00 2.78 C ATOM 0 H LEU A 71 -10.656 -1.060 3.222 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.031 0.390 0.733 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.994 -2.075 1.112 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.493 -1.241 1.471 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.284 -0.179 -0.935 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.758 -1.493 -2.386 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -9.834 -0.750 -1.060 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.255 -2.477 -0.992 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.268 -2.159 -1.925 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -12.670 -3.164 -0.583 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -13.901 -1.916 -0.279 1.00 2.78 H new