USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 624 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 161:sc= 1.19 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0.00326 F(o=0.36,f=1.2) USER MOD Set 2.1: A 7 THR OG1 : rot 111:sc= 1.28 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.24 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc=-0.00576 (180deg=-0.372) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -86:sc= 0.423 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 1.28 (180deg=0.499) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= 0.356 K(o=0.36,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.9 (180deg=1.56) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.617 K(o=0.62,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.54! C(o=-2.1!,f=-1.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.474 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.239 USER MOD Single : A 60 ASN : amide:sc= -0.0579 X(o=-0.058,f=-0.11) USER MOD Single : A 62 GLN : amide:sc= -0.646 K(o=-0.65,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -89:sc= 1.38 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.078 -2.601 3.885 1.00 0.00 N ATOM 2 CA MET A 1 -12.830 -2.800 2.454 1.00 0.00 C ATOM 3 C MET A 1 -11.495 -3.480 2.292 1.00 0.00 C ATOM 4 O MET A 1 -10.490 -2.891 2.685 1.00 0.00 O ATOM 5 CB MET A 1 -12.735 -1.472 1.682 1.00 0.00 C ATOM 6 CG MET A 1 -14.014 -0.657 1.728 1.00 0.00 C ATOM 7 SD MET A 1 -13.960 0.839 0.719 1.00 0.00 S ATOM 8 CE MET A 1 -15.704 1.318 0.765 1.00 0.00 C ATOM 0 H1 MET A 1 -13.981 -2.102 4.015 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.121 -3.524 4.362 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.308 -2.036 4.295 1.00 0.00 H new ATOM 0 HA MET A 1 -13.662 -3.385 2.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.919 -0.878 2.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.483 -1.682 0.642 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.843 -1.280 1.393 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.220 -0.380 2.762 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.846 2.231 0.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.312 0.520 0.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.006 1.493 1.798 1.00 0.00 H new ATOM 18 N GLN A 2 -11.443 -4.711 1.795 1.00 0.00 N ATOM 19 CA GLN A 2 -10.154 -5.346 1.591 1.00 0.00 C ATOM 20 C GLN A 2 -9.694 -5.033 0.172 1.00 0.00 C ATOM 21 O GLN A 2 -10.510 -4.772 -0.715 1.00 0.00 O ATOM 22 CB GLN A 2 -10.136 -6.843 1.923 1.00 0.00 C ATOM 23 CG GLN A 2 -11.116 -7.693 1.129 1.00 0.00 C ATOM 24 CD GLN A 2 -10.817 -9.168 1.347 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.730 -9.648 2.475 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.612 -9.915 0.282 1.00 0.00 N ATOM 0 H GLN A 2 -12.254 -5.272 1.534 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.441 -4.932 2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.129 -7.224 1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.350 -6.966 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.137 -7.471 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.044 -7.451 0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.687 -9.506 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.378 -10.902 0.389 1.00 0.00 H new ATOM 35 N ILE A 3 -8.382 -5.009 -0.017 1.00 0.00 N ATOM 36 CA ILE A 3 -7.716 -4.762 -1.284 1.00 0.00 C ATOM 37 C ILE A 3 -6.565 -5.765 -1.341 1.00 0.00 C ATOM 38 O ILE A 3 -6.101 -6.263 -0.305 1.00 0.00 O ATOM 39 CB ILE A 3 -7.292 -3.281 -1.498 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.962 -2.849 -0.844 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.414 -2.278 -1.149 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.927 -2.960 0.678 1.00 0.00 C ATOM 0 H ILE A 3 -7.724 -5.169 0.746 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.397 -4.913 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.105 -3.249 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.157 -3.457 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.756 -1.816 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.059 -1.261 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.282 -2.469 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.694 -2.395 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.953 -2.635 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.705 -2.329 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.097 -3.996 0.971 1.00 0.00 H new ATOM 54 N PHE A 4 -6.115 -6.077 -2.547 1.00 0.00 N ATOM 55 CA PHE A 4 -5.031 -7.018 -2.761 1.00 0.00 C ATOM 56 C PHE A 4 -3.738 -6.236 -2.946 1.00 0.00 C ATOM 57 O PHE A 4 -3.758 -5.081 -3.375 1.00 0.00 O ATOM 58 CB PHE A 4 -5.386 -7.938 -3.934 1.00 0.00 C ATOM 59 CG PHE A 4 -6.670 -8.707 -3.670 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.668 -9.778 -2.756 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.885 -8.294 -4.255 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.866 -10.444 -2.444 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.087 -8.947 -3.926 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.076 -10.026 -3.026 1.00 0.00 C ATOM 0 H PHE A 4 -6.495 -5.682 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.881 -7.671 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.496 -7.345 -4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.570 -8.639 -4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.743 -10.089 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.893 -7.474 -4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.857 -11.277 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.018 -8.619 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.997 -10.534 -2.781 1.00 0.00 H new ATOM 74 N VAL A 5 -2.614 -6.876 -2.646 1.00 0.00 N ATOM 75 CA VAL A 5 -1.275 -6.325 -2.731 1.00 0.00 C ATOM 76 C VAL A 5 -0.389 -7.351 -3.419 1.00 0.00 C ATOM 77 O VAL A 5 -0.172 -8.436 -2.883 1.00 0.00 O ATOM 78 CB VAL A 5 -0.789 -5.932 -1.309 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.722 -6.088 -1.040 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.203 -4.482 -1.018 1.00 0.00 C ATOM 0 H VAL A 5 -2.617 -7.843 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.244 -5.412 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.270 -6.647 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.943 -5.784 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.011 -7.130 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.282 -5.460 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.865 -4.200 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.750 -3.819 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.288 -4.396 -1.071 1.00 0.00 H new ATOM 90 N LYS A 6 0.036 -7.061 -4.650 1.00 0.00 N ATOM 91 CA LYS A 6 0.938 -7.926 -5.399 1.00 0.00 C ATOM 92 C LYS A 6 2.306 -7.583 -4.794 1.00 0.00 C ATOM 93 O LYS A 6 2.575 -6.389 -4.605 1.00 0.00 O ATOM 94 CB LYS A 6 0.844 -7.606 -6.904 1.00 0.00 C ATOM 95 CG LYS A 6 1.356 -8.737 -7.817 1.00 0.00 C ATOM 96 CD LYS A 6 0.451 -9.984 -7.842 1.00 0.00 C ATOM 97 CE LYS A 6 -0.921 -9.759 -8.498 1.00 0.00 C ATOM 98 NZ LYS A 6 -0.873 -9.827 -9.973 1.00 0.00 N ATOM 0 H LYS A 6 -0.238 -6.217 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 6 0.718 -8.991 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.195 -7.392 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.415 -6.700 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.455 -8.353 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.353 -9.031 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.968 -10.783 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.299 -10.328 -6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.622 -10.507 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.306 -8.785 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.826 -9.668 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.227 -9.096 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.533 -10.765 -10.266 1.00 0.00 H new ATOM 112 N THR A 7 3.126 -8.573 -4.453 1.00 0.00 N ATOM 113 CA THR A 7 4.436 -8.371 -3.835 1.00 0.00 C ATOM 114 C THR A 7 5.587 -8.698 -4.787 1.00 0.00 C ATOM 115 O THR A 7 5.427 -9.491 -5.719 1.00 0.00 O ATOM 116 CB THR A 7 4.503 -9.214 -2.543 1.00 0.00 C ATOM 117 OG1 THR A 7 4.319 -10.595 -2.800 1.00 0.00 O ATOM 118 CG2 THR A 7 3.401 -8.823 -1.554 1.00 0.00 C ATOM 0 H THR A 7 2.896 -9.556 -4.600 1.00 0.00 H new ATOM 0 HA THR A 7 4.553 -7.315 -3.590 1.00 0.00 H new ATOM 0 HB THR A 7 5.493 -9.022 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.159 -11.073 -2.639 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.481 -9.438 -0.658 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.510 -7.773 -1.284 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.426 -8.979 -2.015 1.00 0.00 H new ATOM 126 N LEU A 8 6.780 -8.159 -4.492 1.00 0.00 N ATOM 127 CA LEU A 8 8.006 -8.360 -5.271 1.00 0.00 C ATOM 128 C LEU A 8 8.392 -9.835 -5.326 1.00 0.00 C ATOM 129 O LEU A 8 9.101 -10.256 -6.244 1.00 0.00 O ATOM 130 CB LEU A 8 9.175 -7.562 -4.670 1.00 0.00 C ATOM 131 CG LEU A 8 9.100 -6.041 -4.892 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.261 -5.377 -4.155 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.204 -5.674 -6.377 1.00 0.00 C ATOM 0 H LEU A 8 6.920 -7.555 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 8 7.804 -8.005 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.217 -7.757 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.107 -7.932 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 8 8.137 -5.696 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.218 -4.298 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.190 -5.598 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.205 -5.760 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.147 -4.591 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.155 -6.030 -6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.385 -6.139 -6.925 1.00 0.00 H new ATOM 145 N THR A 9 7.925 -10.627 -4.362 1.00 0.00 N ATOM 146 CA THR A 9 8.156 -12.057 -4.257 1.00 0.00 C ATOM 147 C THR A 9 7.313 -12.823 -5.300 1.00 0.00 C ATOM 148 O THR A 9 7.350 -14.054 -5.343 1.00 0.00 O ATOM 149 CB THR A 9 7.868 -12.487 -2.808 1.00 0.00 C ATOM 150 OG1 THR A 9 6.553 -12.143 -2.408 1.00 0.00 O ATOM 151 CG2 THR A 9 8.828 -11.810 -1.820 1.00 0.00 C ATOM 0 H THR A 9 7.349 -10.267 -3.601 1.00 0.00 H new ATOM 0 HA THR A 9 9.194 -12.300 -4.483 1.00 0.00 H new ATOM 0 HB THR A 9 7.998 -13.569 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.406 -12.433 -1.483 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.596 -12.136 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.854 -12.084 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.716 -10.728 -1.887 1.00 0.00 H new ATOM 159 N GLY A 10 6.563 -12.108 -6.149 1.00 0.00 N ATOM 160 CA GLY A 10 5.702 -12.637 -7.191 1.00 0.00 C ATOM 161 C GLY A 10 4.511 -13.332 -6.557 1.00 0.00 C ATOM 162 O GLY A 10 4.116 -14.416 -6.992 1.00 0.00 O ATOM 0 H GLY A 10 6.547 -11.089 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.363 -11.831 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.256 -13.338 -7.815 1.00 0.00 H new ATOM 166 N LYS A 11 3.981 -12.750 -5.480 1.00 0.00 N ATOM 167 CA LYS A 11 2.866 -13.284 -4.714 1.00 0.00 C ATOM 168 C LYS A 11 1.789 -12.228 -4.527 1.00 0.00 C ATOM 169 O LYS A 11 1.930 -11.107 -5.014 1.00 0.00 O ATOM 170 CB LYS A 11 3.422 -13.743 -3.356 1.00 0.00 C ATOM 171 CG LYS A 11 2.726 -14.998 -2.821 1.00 0.00 C ATOM 172 CD LYS A 11 3.169 -15.285 -1.384 1.00 0.00 C ATOM 173 CE LYS A 11 2.441 -14.407 -0.360 1.00 0.00 C ATOM 174 NZ LYS A 11 3.178 -14.379 0.921 1.00 0.00 N ATOM 0 H LYS A 11 4.331 -11.866 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 11 2.406 -14.121 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.490 -13.939 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.311 -12.936 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.645 -14.864 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.961 -15.851 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.986 -16.335 -1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.243 -15.122 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.339 -13.394 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.433 -14.789 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.556 -14.017 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.490 -15.341 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.008 -13.759 0.831 1.00 0.00 H new ATOM 188 N THR A 12 0.714 -12.579 -3.825 1.00 0.00 N ATOM 189 CA THR A 12 -0.377 -11.670 -3.537 1.00 0.00 C ATOM 190 C THR A 12 -0.738 -11.817 -2.060 1.00 0.00 C ATOM 191 O THR A 12 -0.748 -12.929 -1.522 1.00 0.00 O ATOM 192 CB THR A 12 -1.594 -11.913 -4.455 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.223 -12.166 -5.799 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.518 -10.690 -4.465 1.00 0.00 C ATOM 0 H THR A 12 0.581 -13.514 -3.439 1.00 0.00 H new ATOM 0 HA THR A 12 -0.061 -10.646 -3.739 1.00 0.00 H new ATOM 0 HB THR A 12 -2.099 -12.789 -4.048 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.028 -12.315 -6.338 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.369 -10.882 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.874 -10.494 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.969 -9.822 -4.831 1.00 0.00 H new ATOM 202 N ILE A 13 -1.049 -10.695 -1.421 1.00 0.00 N ATOM 203 CA ILE A 13 -1.452 -10.522 -0.033 1.00 0.00 C ATOM 204 C ILE A 13 -2.804 -9.803 -0.074 1.00 0.00 C ATOM 205 O ILE A 13 -3.135 -9.163 -1.077 1.00 0.00 O ATOM 206 CB ILE A 13 -0.390 -9.654 0.697 1.00 0.00 C ATOM 207 CG1 ILE A 13 1.026 -10.259 0.638 1.00 0.00 C ATOM 208 CG2 ILE A 13 -0.739 -9.306 2.159 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.195 -11.539 1.454 1.00 0.00 C ATOM 0 H ILE A 13 -1.022 -9.800 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.533 -11.470 0.499 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.402 -8.722 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.276 -10.469 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.741 -9.517 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.058 -8.699 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.675 -8.749 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.846 -10.225 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.219 -11.899 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.979 -11.333 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.507 -12.300 1.084 1.00 0.00 H new ATOM 221 N THR A 14 -3.559 -9.872 1.015 1.00 0.00 N ATOM 222 CA THR A 14 -4.849 -9.228 1.178 1.00 0.00 C ATOM 223 C THR A 14 -4.723 -8.398 2.456 1.00 0.00 C ATOM 224 O THR A 14 -4.118 -8.852 3.431 1.00 0.00 O ATOM 225 CB THR A 14 -5.973 -10.271 1.269 1.00 0.00 C ATOM 226 OG1 THR A 14 -5.857 -11.240 0.242 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.334 -9.580 1.149 1.00 0.00 C ATOM 0 H THR A 14 -3.275 -10.400 1.840 1.00 0.00 H new ATOM 0 HA THR A 14 -5.109 -8.598 0.328 1.00 0.00 H new ATOM 0 HB THR A 14 -5.889 -10.770 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.308 -10.916 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.127 -10.325 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.448 -8.857 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.397 -9.065 0.190 1.00 0.00 H new ATOM 235 N LEU A 15 -5.217 -7.161 2.445 1.00 0.00 N ATOM 236 CA LEU A 15 -5.190 -6.244 3.585 1.00 0.00 C ATOM 237 C LEU A 15 -6.590 -5.662 3.693 1.00 0.00 C ATOM 238 O LEU A 15 -7.304 -5.650 2.691 1.00 0.00 O ATOM 239 CB LEU A 15 -4.198 -5.084 3.384 1.00 0.00 C ATOM 240 CG LEU A 15 -2.772 -5.446 2.945 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.019 -4.150 2.636 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.004 -6.219 4.018 1.00 0.00 C ATOM 0 H LEU A 15 -5.660 -6.757 1.620 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.876 -6.786 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.618 -4.406 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.132 -4.530 4.320 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.845 -6.090 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.002 -4.386 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.531 -3.614 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.987 -3.526 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.003 -6.449 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.932 -5.613 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.530 -7.147 4.244 1.00 0.00 H new ATOM 254 N GLU A 16 -6.965 -5.116 4.849 1.00 0.00 N ATOM 255 CA GLU A 16 -8.286 -4.539 5.051 1.00 0.00 C ATOM 256 C GLU A 16 -8.127 -3.102 5.525 1.00 0.00 C ATOM 257 O GLU A 16 -7.386 -2.842 6.469 1.00 0.00 O ATOM 258 CB GLU A 16 -9.099 -5.445 5.976 1.00 0.00 C ATOM 259 CG GLU A 16 -10.591 -5.150 5.814 1.00 0.00 C ATOM 260 CD GLU A 16 -11.452 -6.285 6.361 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.337 -7.424 5.857 1.00 0.00 O ATOM 262 OE2 GLU A 16 -12.310 -6.012 7.232 1.00 0.00 O ATOM 0 H GLU A 16 -6.360 -5.063 5.668 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.858 -4.486 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.899 -6.491 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.798 -5.286 7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.837 -4.224 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.819 -4.995 4.759 1.00 0.00 H new ATOM 269 N VAL A 17 -8.800 -2.171 4.856 1.00 0.00 N ATOM 270 CA VAL A 17 -8.778 -0.733 5.090 1.00 0.00 C ATOM 271 C VAL A 17 -10.196 -0.155 5.053 1.00 0.00 C ATOM 272 O VAL A 17 -11.179 -0.889 4.951 1.00 0.00 O ATOM 273 CB VAL A 17 -7.938 -0.097 3.949 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.482 -0.590 3.934 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.567 -0.339 2.555 1.00 0.00 C ATOM 0 H VAL A 17 -9.417 -2.420 4.083 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.352 -0.520 6.070 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.938 0.972 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.944 -0.111 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.003 -0.338 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.465 -1.671 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.944 0.124 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.635 -1.411 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.565 0.099 2.525 1.00 0.00 H new ATOM 285 N GLU A 18 -10.296 1.168 5.141 1.00 0.00 N ATOM 286 CA GLU A 18 -11.517 1.947 5.063 1.00 0.00 C ATOM 287 C GLU A 18 -11.157 3.183 4.232 1.00 0.00 C ATOM 288 O GLU A 18 -9.986 3.570 4.187 1.00 0.00 O ATOM 289 CB GLU A 18 -12.057 2.406 6.418 1.00 0.00 C ATOM 290 CG GLU A 18 -12.654 1.310 7.320 1.00 0.00 C ATOM 291 CD GLU A 18 -14.008 0.730 6.877 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.669 0.081 7.726 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.398 0.832 5.688 1.00 0.00 O ATOM 0 H GLU A 18 -9.474 1.756 5.277 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.303 1.328 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.248 2.894 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.824 3.161 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.936 0.492 7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.768 1.717 8.325 1.00 0.00 H new ATOM 300 N PRO A 19 -12.130 3.854 3.609 1.00 0.00 N ATOM 301 CA PRO A 19 -11.885 5.039 2.793 1.00 0.00 C ATOM 302 C PRO A 19 -11.142 6.174 3.517 1.00 0.00 C ATOM 303 O PRO A 19 -10.277 6.823 2.920 1.00 0.00 O ATOM 304 CB PRO A 19 -13.273 5.483 2.322 1.00 0.00 C ATOM 305 CG PRO A 19 -14.062 4.176 2.364 1.00 0.00 C ATOM 306 CD PRO A 19 -13.532 3.476 3.586 1.00 0.00 C ATOM 0 HA PRO A 19 -11.213 4.793 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.703 6.239 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.245 5.910 1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.134 4.358 2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.903 3.584 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.050 3.798 4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.656 2.395 3.515 1.00 0.00 H new ATOM 314 N SER A 20 -11.464 6.423 4.788 1.00 0.00 N ATOM 315 CA SER A 20 -10.854 7.483 5.581 1.00 0.00 C ATOM 316 C SER A 20 -9.535 7.066 6.241 1.00 0.00 C ATOM 317 O SER A 20 -8.905 7.921 6.866 1.00 0.00 O ATOM 318 CB SER A 20 -11.874 8.014 6.608 1.00 0.00 C ATOM 319 OG SER A 20 -11.799 9.422 6.755 1.00 0.00 O ATOM 0 H SER A 20 -12.165 5.885 5.298 1.00 0.00 H new ATOM 0 HA SER A 20 -10.584 8.290 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.881 7.736 6.296 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.697 7.539 7.573 1.00 0.00 H new ATOM 0 HG SER A 20 -12.462 9.718 7.413 1.00 0.00 H new ATOM 325 N ASP A 21 -9.101 5.803 6.145 1.00 0.00 N ATOM 326 CA ASP A 21 -7.840 5.372 6.754 1.00 0.00 C ATOM 327 C ASP A 21 -6.689 6.097 6.064 1.00 0.00 C ATOM 328 O ASP A 21 -6.658 6.186 4.828 1.00 0.00 O ATOM 329 CB ASP A 21 -7.615 3.847 6.638 1.00 0.00 C ATOM 330 CG ASP A 21 -7.739 3.088 7.956 1.00 0.00 C ATOM 331 OD1 ASP A 21 -7.139 1.997 8.072 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.483 3.530 8.865 1.00 0.00 O ATOM 0 H ASP A 21 -9.604 5.065 5.653 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.884 5.616 7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.335 3.439 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.623 3.669 6.223 1.00 0.00 H new ATOM 337 N THR A 22 -5.766 6.664 6.845 1.00 0.00 N ATOM 338 CA THR A 22 -4.623 7.335 6.248 1.00 0.00 C ATOM 339 C THR A 22 -3.706 6.237 5.727 1.00 0.00 C ATOM 340 O THR A 22 -3.675 5.130 6.274 1.00 0.00 O ATOM 341 CB THR A 22 -3.867 8.230 7.236 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.542 7.514 8.403 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.646 9.482 7.619 1.00 0.00 C ATOM 0 H THR A 22 -5.790 6.670 7.865 1.00 0.00 H new ATOM 0 HA THR A 22 -4.967 8.000 5.456 1.00 0.00 H new ATOM 0 HB THR A 22 -2.959 8.548 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.821 7.975 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.059 10.075 8.320 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.848 10.072 6.725 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.588 9.196 8.086 1.00 0.00 H new ATOM 351 N ILE A 23 -2.879 6.557 4.737 1.00 0.00 N ATOM 352 CA ILE A 23 -1.934 5.621 4.135 1.00 0.00 C ATOM 353 C ILE A 23 -0.929 5.111 5.184 1.00 0.00 C ATOM 354 O ILE A 23 -0.244 4.121 4.948 1.00 0.00 O ATOM 355 CB ILE A 23 -1.333 6.279 2.879 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.455 6.578 1.855 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.199 5.471 2.229 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.068 5.374 1.137 1.00 0.00 C ATOM 0 H ILE A 23 -2.845 7.489 4.323 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.423 4.710 3.791 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.871 7.210 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.254 7.109 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.056 7.257 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.170 6.002 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.614 5.344 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.575 4.493 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.840 5.716 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.292 4.848 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.509 4.699 1.870 1.00 0.00 H new ATOM 370 N GLU A 24 -0.849 5.764 6.345 1.00 0.00 N ATOM 371 CA GLU A 24 -0.005 5.401 7.473 1.00 0.00 C ATOM 372 C GLU A 24 -0.447 3.991 7.905 1.00 0.00 C ATOM 373 O GLU A 24 0.363 3.076 8.021 1.00 0.00 O ATOM 374 CB GLU A 24 -0.233 6.416 8.612 1.00 0.00 C ATOM 375 CG GLU A 24 -0.013 7.885 8.208 1.00 0.00 C ATOM 376 CD GLU A 24 -0.493 8.855 9.290 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.713 8.887 9.579 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.360 9.561 9.871 1.00 0.00 O ATOM 0 H GLU A 24 -1.401 6.602 6.528 1.00 0.00 H new ATOM 0 HA GLU A 24 1.055 5.410 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.251 6.303 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.437 6.174 9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.046 8.053 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.543 8.088 7.278 1.00 0.00 H new ATOM 385 N ASN A 25 -1.766 3.815 8.061 1.00 0.00 N ATOM 386 CA ASN A 25 -2.431 2.573 8.453 1.00 0.00 C ATOM 387 C ASN A 25 -2.134 1.503 7.441 1.00 0.00 C ATOM 388 O ASN A 25 -1.786 0.384 7.775 1.00 0.00 O ATOM 389 CB ASN A 25 -3.968 2.699 8.448 1.00 0.00 C ATOM 390 CG ASN A 25 -4.429 3.571 9.569 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.250 4.858 9.400 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -4.893 3.103 10.605 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.428 4.576 7.909 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.066 2.341 9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.301 3.114 7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.419 1.711 8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.017 2.095 10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.154 3.722 11.372 1.00 0.00 H new ATOM 399 N VAL A 26 -2.317 1.845 6.177 1.00 0.00 N ATOM 400 CA VAL A 26 -2.116 0.959 5.053 1.00 0.00 C ATOM 401 C VAL A 26 -0.659 0.483 5.039 1.00 0.00 C ATOM 402 O VAL A 26 -0.411 -0.712 4.873 1.00 0.00 O ATOM 403 CB VAL A 26 -2.646 1.657 3.787 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.857 0.608 2.687 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.993 2.370 4.079 1.00 0.00 C ATOM 0 H VAL A 26 -2.620 2.779 5.900 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.688 0.034 5.119 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.919 2.402 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.232 1.095 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.909 0.117 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.579 -0.134 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.351 2.857 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.728 1.637 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.847 3.117 4.859 1.00 0.00 H new ATOM 415 N LYS A 27 0.297 1.389 5.275 1.00 0.00 N ATOM 416 CA LYS A 27 1.721 1.084 5.326 1.00 0.00 C ATOM 417 C LYS A 27 2.015 0.207 6.556 1.00 0.00 C ATOM 418 O LYS A 27 2.948 -0.592 6.517 1.00 0.00 O ATOM 419 CB LYS A 27 2.512 2.405 5.298 1.00 0.00 C ATOM 420 CG LYS A 27 4.030 2.188 5.256 1.00 0.00 C ATOM 421 CD LYS A 27 4.823 3.416 4.787 1.00 0.00 C ATOM 422 CE LYS A 27 4.474 4.678 5.581 1.00 0.00 C ATOM 423 NZ LYS A 27 5.423 5.778 5.322 1.00 0.00 N ATOM 0 H LYS A 27 0.092 2.375 5.439 1.00 0.00 H new ATOM 0 HA LYS A 27 2.038 0.506 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.208 2.987 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.258 2.994 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.374 1.904 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.249 1.352 4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.890 3.214 4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.625 3.590 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.466 5.001 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.471 4.446 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.911 6.683 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.144 5.799 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.885 5.629 4.402 1.00 0.00 H new ATOM 437 N ALA A 28 1.227 0.304 7.628 1.00 0.00 N ATOM 438 CA ALA A 28 1.390 -0.495 8.836 1.00 0.00 C ATOM 439 C ALA A 28 0.812 -1.904 8.619 1.00 0.00 C ATOM 440 O ALA A 28 1.451 -2.914 8.927 1.00 0.00 O ATOM 441 CB ALA A 28 0.703 0.217 10.009 1.00 0.00 C ATOM 0 H ALA A 28 0.443 0.954 7.678 1.00 0.00 H new ATOM 0 HA ALA A 28 2.449 -0.604 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.822 -0.377 10.915 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.156 1.197 10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.358 0.337 9.791 1.00 0.00 H new ATOM 447 N LYS A 29 -0.392 -1.983 8.044 1.00 0.00 N ATOM 448 CA LYS A 29 -1.131 -3.208 7.739 1.00 0.00 C ATOM 449 C LYS A 29 -0.314 -4.126 6.840 1.00 0.00 C ATOM 450 O LYS A 29 -0.397 -5.344 7.017 1.00 0.00 O ATOM 451 CB LYS A 29 -2.474 -2.853 7.075 1.00 0.00 C ATOM 452 CG LYS A 29 -3.494 -2.243 8.055 1.00 0.00 C ATOM 453 CD LYS A 29 -4.560 -1.443 7.293 1.00 0.00 C ATOM 454 CE LYS A 29 -5.621 -0.792 8.191 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.520 -1.771 8.830 1.00 0.00 N ATOM 0 H LYS A 29 -0.904 -1.146 7.764 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.325 -3.741 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.295 -2.149 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.901 -3.752 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.970 -3.035 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.982 -1.593 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.067 -0.665 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.057 -2.105 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.124 -0.206 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.214 -0.097 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.346 -1.278 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.836 -2.465 8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.013 -2.261 9.594 1.00 0.00 H new ATOM 469 N ILE A 30 0.435 -3.571 5.878 1.00 0.00 N ATOM 470 CA ILE A 30 1.269 -4.372 4.991 1.00 0.00 C ATOM 471 C ILE A 30 2.506 -4.829 5.759 1.00 0.00 C ATOM 472 O ILE A 30 2.777 -6.025 5.763 1.00 0.00 O ATOM 473 CB ILE A 30 1.600 -3.643 3.668 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.394 -4.511 2.668 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.366 -2.331 3.868 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.821 -5.912 2.408 1.00 0.00 C ATOM 0 H ILE A 30 0.476 -2.568 5.699 1.00 0.00 H new ATOM 0 HA ILE A 30 0.715 -5.256 4.677 1.00 0.00 H new ATOM 0 HB ILE A 30 0.616 -3.425 3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.452 -3.979 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.414 -4.617 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.564 -1.874 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.769 -1.650 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.310 -2.534 4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.454 -6.437 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.790 -6.472 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.812 -5.823 2.004 1.00 0.00 H new ATOM 488 N GLN A 31 3.217 -3.924 6.448 1.00 0.00 N ATOM 489 CA GLN A 31 4.424 -4.230 7.220 1.00 0.00 C ATOM 490 C GLN A 31 4.215 -5.417 8.163 1.00 0.00 C ATOM 491 O GLN A 31 5.112 -6.246 8.330 1.00 0.00 O ATOM 492 CB GLN A 31 4.849 -2.988 8.015 1.00 0.00 C ATOM 493 CG GLN A 31 5.753 -2.055 7.214 1.00 0.00 C ATOM 494 CD GLN A 31 6.158 -0.851 8.054 1.00 0.00 C ATOM 495 OE1 GLN A 31 7.129 -0.883 8.805 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.366 0.204 7.994 1.00 0.00 N ATOM 0 H GLN A 31 2.960 -2.937 6.483 1.00 0.00 H new ATOM 0 HA GLN A 31 5.212 -4.509 6.520 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.960 -2.442 8.331 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.369 -3.302 8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.643 -2.593 6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.235 -1.721 6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.566 0.206 7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.555 1.017 8.580 1.00 0.00 H new ATOM 505 N ASP A 32 3.014 -5.527 8.732 1.00 0.00 N ATOM 506 CA ASP A 32 2.618 -6.596 9.640 1.00 0.00 C ATOM 507 C ASP A 32 2.856 -7.986 9.028 1.00 0.00 C ATOM 508 O ASP A 32 3.272 -8.890 9.751 1.00 0.00 O ATOM 509 CB ASP A 32 1.137 -6.407 9.985 1.00 0.00 C ATOM 510 CG ASP A 32 0.548 -7.584 10.754 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.173 -8.389 10.125 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.731 -7.645 11.990 1.00 0.00 O ATOM 0 H ASP A 32 2.268 -4.851 8.566 1.00 0.00 H new ATOM 0 HA ASP A 32 3.229 -6.542 10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.021 -5.499 10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.571 -6.262 9.065 1.00 0.00 H new ATOM 517 N LYS A 33 2.659 -8.142 7.711 1.00 0.00 N ATOM 518 CA LYS A 33 2.818 -9.401 6.971 1.00 0.00 C ATOM 519 C LYS A 33 4.039 -9.414 6.058 1.00 0.00 C ATOM 520 O LYS A 33 4.619 -10.473 5.836 1.00 0.00 O ATOM 521 CB LYS A 33 1.585 -9.615 6.072 1.00 0.00 C ATOM 522 CG LYS A 33 0.252 -9.658 6.835 1.00 0.00 C ATOM 523 CD LYS A 33 -0.873 -8.947 6.071 1.00 0.00 C ATOM 524 CE LYS A 33 -2.107 -8.707 6.948 1.00 0.00 C ATOM 525 NZ LYS A 33 -1.861 -7.729 8.034 1.00 0.00 N ATOM 0 H LYS A 33 2.375 -7.368 7.111 1.00 0.00 H new ATOM 0 HA LYS A 33 2.937 -10.184 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.543 -8.814 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.707 -10.548 5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.030 -10.696 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.378 -9.190 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.507 -7.992 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.156 -9.545 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.926 -8.351 6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.427 -9.654 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.770 -7.401 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.308 -8.181 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.332 -6.917 7.657 1.00 0.00 H new ATOM 539 N GLU A 34 4.420 -8.262 5.510 1.00 0.00 N ATOM 540 CA GLU A 34 5.549 -8.126 4.600 1.00 0.00 C ATOM 541 C GLU A 34 6.876 -8.223 5.357 1.00 0.00 C ATOM 542 O GLU A 34 7.842 -8.760 4.822 1.00 0.00 O ATOM 543 CB GLU A 34 5.384 -6.818 3.805 1.00 0.00 C ATOM 544 CG GLU A 34 6.103 -6.800 2.443 1.00 0.00 C ATOM 545 CD GLU A 34 5.490 -7.719 1.379 1.00 0.00 C ATOM 546 OE1 GLU A 34 5.959 -7.681 0.220 1.00 0.00 O ATOM 547 OE2 GLU A 34 4.628 -8.567 1.707 1.00 0.00 O ATOM 0 H GLU A 34 3.941 -7.380 5.692 1.00 0.00 H new ATOM 0 HA GLU A 34 5.567 -8.948 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.321 -6.639 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.758 -5.991 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.105 -5.778 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.144 -7.086 2.594 1.00 0.00 H new ATOM 554 N GLY A 35 6.940 -7.746 6.606 1.00 0.00 N ATOM 555 CA GLY A 35 8.151 -7.826 7.413 1.00 0.00 C ATOM 556 C GLY A 35 9.310 -7.004 6.858 1.00 0.00 C ATOM 557 O GLY A 35 10.429 -7.505 6.785 1.00 0.00 O ATOM 0 H GLY A 35 6.155 -7.297 7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.927 -7.486 8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.459 -8.869 7.488 1.00 0.00 H new ATOM 561 N ILE A 36 9.047 -5.781 6.404 1.00 0.00 N ATOM 562 CA ILE A 36 10.034 -4.846 5.865 1.00 0.00 C ATOM 563 C ILE A 36 9.858 -3.516 6.610 1.00 0.00 C ATOM 564 O ILE A 36 8.833 -3.328 7.272 1.00 0.00 O ATOM 565 CB ILE A 36 9.940 -4.709 4.319 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.521 -4.723 3.715 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.725 -5.848 3.657 1.00 0.00 C ATOM 568 CD1 ILE A 36 7.633 -3.545 4.109 1.00 0.00 C ATOM 0 H ILE A 36 8.102 -5.398 6.401 1.00 0.00 H new ATOM 0 HA ILE A 36 11.044 -5.221 6.032 1.00 0.00 H new ATOM 0 HB ILE A 36 10.350 -3.719 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.607 -4.745 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.025 -5.647 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.660 -5.753 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.770 -5.796 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.304 -6.806 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.658 -3.649 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.508 -3.530 5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.098 -2.614 3.784 1.00 0.00 H new ATOM 580 N PRO A 37 10.829 -2.593 6.574 1.00 0.00 N ATOM 581 CA PRO A 37 10.700 -1.313 7.257 1.00 0.00 C ATOM 582 C PRO A 37 9.696 -0.394 6.537 1.00 0.00 C ATOM 583 O PRO A 37 9.297 -0.670 5.404 1.00 0.00 O ATOM 584 CB PRO A 37 12.108 -0.688 7.196 1.00 0.00 C ATOM 585 CG PRO A 37 13.029 -1.796 6.683 1.00 0.00 C ATOM 586 CD PRO A 37 12.092 -2.665 5.861 1.00 0.00 C ATOM 0 HA PRO A 37 10.335 -1.442 8.276 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.125 0.175 6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.425 -0.339 8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.843 -1.396 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.484 -2.354 7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.996 -2.294 4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.455 -3.691 5.794 1.00 0.00 H new ATOM 594 N PRO A 38 9.322 0.759 7.128 1.00 0.00 N ATOM 595 CA PRO A 38 8.440 1.723 6.476 1.00 0.00 C ATOM 596 C PRO A 38 9.134 2.233 5.188 1.00 0.00 C ATOM 597 O PRO A 38 8.464 2.656 4.248 1.00 0.00 O ATOM 598 CB PRO A 38 8.210 2.852 7.485 1.00 0.00 C ATOM 599 CG PRO A 38 8.621 2.245 8.826 1.00 0.00 C ATOM 600 CD PRO A 38 9.668 1.196 8.464 1.00 0.00 C ATOM 0 HA PRO A 38 7.482 1.292 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.810 3.730 7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.168 3.171 7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.031 3.001 9.495 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.769 1.796 9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.673 1.617 8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.651 0.363 9.167 1.00 0.00 H new ATOM 608 N ASP A 39 10.476 2.264 5.181 1.00 0.00 N ATOM 609 CA ASP A 39 11.363 2.649 4.072 1.00 0.00 C ATOM 610 C ASP A 39 11.594 1.394 3.205 1.00 0.00 C ATOM 611 O ASP A 39 11.098 0.326 3.547 1.00 0.00 O ATOM 612 CB ASP A 39 12.701 3.137 4.657 1.00 0.00 C ATOM 613 CG ASP A 39 13.743 3.526 3.606 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.950 3.290 3.852 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.366 4.107 2.565 1.00 0.00 O ATOM 0 H ASP A 39 11.008 2.002 6.011 1.00 0.00 H new ATOM 0 HA ASP A 39 10.926 3.446 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.511 3.997 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.115 2.352 5.290 1.00 0.00 H new ATOM 620 N GLN A 40 12.332 1.464 2.091 1.00 0.00 N ATOM 621 CA GLN A 40 12.604 0.306 1.228 1.00 0.00 C ATOM 622 C GLN A 40 11.324 -0.297 0.619 1.00 0.00 C ATOM 623 O GLN A 40 11.371 -1.395 0.068 1.00 0.00 O ATOM 624 CB GLN A 40 13.424 -0.752 2.002 1.00 0.00 C ATOM 625 CG GLN A 40 14.274 -1.672 1.113 1.00 0.00 C ATOM 626 CD GLN A 40 14.569 -2.987 1.826 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.332 -3.021 2.793 1.00 0.00 O ATOM 628 NE2 GLN A 40 13.965 -4.082 1.395 1.00 0.00 N ATOM 0 H GLN A 40 12.760 2.329 1.760 1.00 0.00 H new ATOM 0 HA GLN A 40 13.197 0.657 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.080 -0.241 2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.741 -1.365 2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.749 -1.869 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.209 -1.175 0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.336 -4.036 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.128 -4.973 1.865 1.00 0.00 H new ATOM 637 N ASN A 41 10.169 0.378 0.664 1.00 0.00 N ATOM 638 CA ASN A 41 8.925 -0.159 0.119 1.00 0.00 C ATOM 639 C ASN A 41 7.926 0.970 -0.135 1.00 0.00 C ATOM 640 O ASN A 41 7.732 1.815 0.741 1.00 0.00 O ATOM 641 CB ASN A 41 8.323 -1.126 1.163 1.00 0.00 C ATOM 642 CG ASN A 41 8.140 -2.555 0.690 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.039 -3.076 0.734 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.192 -3.219 0.240 1.00 0.00 N ATOM 0 H ASN A 41 10.075 1.306 1.077 1.00 0.00 H new ATOM 0 HA ASN A 41 9.129 -0.671 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.966 -1.131 2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.354 -0.738 1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.089 -4.183 -0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.106 -2.767 0.210 1.00 0.00 H new ATOM 651 N ARG A 42 7.261 0.995 -1.295 1.00 0.00 N ATOM 652 CA ARG A 42 6.276 2.001 -1.661 1.00 0.00 C ATOM 653 C ARG A 42 5.136 1.278 -2.377 1.00 0.00 C ATOM 654 O ARG A 42 5.398 0.410 -3.214 1.00 0.00 O ATOM 655 CB ARG A 42 6.991 3.081 -2.488 1.00 0.00 C ATOM 656 CG ARG A 42 6.265 3.503 -3.768 1.00 0.00 C ATOM 657 CD ARG A 42 7.165 4.364 -4.641 1.00 0.00 C ATOM 658 NE ARG A 42 8.354 3.633 -5.118 1.00 0.00 N ATOM 659 CZ ARG A 42 8.985 3.850 -6.275 1.00 0.00 C ATOM 660 NH1 ARG A 42 8.669 4.893 -7.033 1.00 0.00 N ATOM 661 NH2 ARG A 42 9.925 3.008 -6.691 1.00 0.00 N ATOM 0 H ARG A 42 7.402 0.293 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 42 5.831 2.520 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.133 3.962 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.983 2.716 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.952 2.618 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.361 4.056 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.597 4.726 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.483 5.240 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 42 8.726 2.900 -4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.938 5.538 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.157 5.049 -7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.166 2.194 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.405 3.176 -7.575 1.00 0.00 H new ATOM 675 N LEU A 43 3.896 1.622 -2.032 1.00 0.00 N ATOM 676 CA LEU A 43 2.692 1.040 -2.619 1.00 0.00 C ATOM 677 C LEU A 43 2.306 1.860 -3.837 1.00 0.00 C ATOM 678 O LEU A 43 2.544 3.067 -3.899 1.00 0.00 O ATOM 679 CB LEU A 43 1.512 1.067 -1.618 1.00 0.00 C ATOM 680 CG LEU A 43 1.432 -0.079 -0.594 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.202 -1.438 -1.261 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.644 -0.124 0.333 1.00 0.00 C ATOM 0 H LEU A 43 3.697 2.327 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 43 2.900 0.004 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.556 2.008 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.584 1.074 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 43 0.561 0.137 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.153 -2.214 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.265 -1.416 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.024 -1.652 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.535 -0.951 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.549 -0.266 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.715 0.813 0.885 1.00 0.00 H new ATOM 694 N ILE A 44 1.641 1.203 -4.775 1.00 0.00 N ATOM 695 CA ILE A 44 1.133 1.723 -6.032 1.00 0.00 C ATOM 696 C ILE A 44 -0.286 1.141 -6.142 1.00 0.00 C ATOM 697 O ILE A 44 -0.496 0.051 -5.629 1.00 0.00 O ATOM 698 CB ILE A 44 2.029 1.231 -7.199 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.557 1.316 -6.967 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.657 1.911 -8.525 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.160 2.720 -6.860 1.00 0.00 C ATOM 0 H ILE A 44 1.426 0.212 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 44 1.128 2.812 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 44 1.810 0.164 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.793 0.774 -6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.055 0.793 -7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.306 1.541 -9.318 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.619 1.686 -8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.781 2.990 -8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.235 2.643 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.970 3.269 -7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.704 3.249 -6.023 1.00 0.00 H new ATOM 713 N PHE A 45 -1.241 1.743 -6.857 1.00 0.00 N ATOM 714 CA PHE A 45 -2.614 1.183 -6.971 1.00 0.00 C ATOM 715 C PHE A 45 -3.125 0.955 -8.378 1.00 0.00 C ATOM 716 O PHE A 45 -3.988 0.112 -8.625 1.00 0.00 O ATOM 717 CB PHE A 45 -3.582 2.053 -6.133 1.00 0.00 C ATOM 718 CG PHE A 45 -4.951 2.253 -6.741 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.215 3.390 -7.525 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.908 1.231 -6.632 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.423 3.484 -8.231 1.00 0.00 C ATOM 722 CE2 PHE A 45 -7.104 1.313 -7.363 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.364 2.441 -8.161 1.00 0.00 C ATOM 0 H PHE A 45 -1.101 2.615 -7.368 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.563 0.170 -6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.701 1.595 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.125 3.030 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.490 4.188 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.724 0.384 -5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.631 4.359 -8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.824 0.510 -7.312 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.286 2.507 -8.720 1.00 0.00 H new ATOM 733 N ALA A 46 -2.613 1.751 -9.278 1.00 0.00 N ATOM 734 CA ALA A 46 -2.934 1.771 -10.695 1.00 0.00 C ATOM 735 C ALA A 46 -1.951 2.738 -11.328 1.00 0.00 C ATOM 736 O ALA A 46 -2.327 3.759 -11.914 1.00 0.00 O ATOM 737 CB ALA A 46 -4.395 2.192 -10.927 1.00 0.00 C ATOM 0 H ALA A 46 -1.914 2.452 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.845 0.782 -11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.607 2.198 -11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.060 1.486 -10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.555 3.190 -10.520 1.00 0.00 H new ATOM 743 N GLY A 47 -0.672 2.453 -11.100 1.00 0.00 N ATOM 744 CA GLY A 47 0.420 3.269 -11.635 1.00 0.00 C ATOM 745 C GLY A 47 0.528 4.634 -10.958 1.00 0.00 C ATOM 746 O GLY A 47 1.115 5.565 -11.505 1.00 0.00 O ATOM 0 H GLY A 47 -0.362 1.656 -10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.361 2.733 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.270 3.411 -12.705 1.00 0.00 H new ATOM 750 N LYS A 48 -0.108 4.772 -9.796 1.00 0.00 N ATOM 751 CA LYS A 48 -0.135 5.952 -8.958 1.00 0.00 C ATOM 752 C LYS A 48 0.516 5.498 -7.671 1.00 0.00 C ATOM 753 O LYS A 48 0.064 4.489 -7.124 1.00 0.00 O ATOM 754 CB LYS A 48 -1.569 6.437 -8.719 1.00 0.00 C ATOM 755 CG LYS A 48 -1.536 7.591 -7.707 1.00 0.00 C ATOM 756 CD LYS A 48 -2.694 8.570 -7.873 1.00 0.00 C ATOM 757 CE LYS A 48 -2.402 9.508 -9.049 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.568 10.345 -9.384 1.00 0.00 N ATOM 0 H LYS A 48 -0.652 4.007 -9.396 1.00 0.00 H new ATOM 0 HA LYS A 48 0.380 6.799 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.017 6.769 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.186 5.621 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.558 7.181 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.595 8.131 -7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.622 8.026 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.831 9.147 -6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.554 10.147 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.114 8.920 -9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.331 10.966 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.370 9.736 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.827 10.925 -8.561 1.00 0.00 H new ATOM 772 N GLN A 49 1.569 6.188 -7.246 1.00 0.00 N ATOM 773 CA GLN A 49 2.301 5.862 -6.035 1.00 0.00 C ATOM 774 C GLN A 49 1.484 6.406 -4.871 1.00 0.00 C ATOM 775 O GLN A 49 0.835 7.451 -5.002 1.00 0.00 O ATOM 776 CB GLN A 49 3.724 6.462 -6.010 1.00 0.00 C ATOM 777 CG GLN A 49 4.539 6.410 -7.317 1.00 0.00 C ATOM 778 CD GLN A 49 4.075 7.466 -8.314 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.407 7.072 -9.385 1.00 0.00 O flip ATOM 780 NE2 GLN A 49 4.244 8.664 -8.102 1.00 0.00 N flip ATOM 0 H GLN A 49 1.940 6.999 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 49 2.434 4.782 -5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.644 7.505 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.294 5.946 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.595 6.560 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.445 5.421 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.759 8.968 -7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.869 9.355 -8.752 1.00 0.00 H new ATOM 789 N LEU A 50 1.547 5.708 -3.744 1.00 0.00 N ATOM 790 CA LEU A 50 0.828 6.021 -2.527 1.00 0.00 C ATOM 791 C LEU A 50 1.845 6.168 -1.403 1.00 0.00 C ATOM 792 O LEU A 50 2.653 5.261 -1.163 1.00 0.00 O ATOM 793 CB LEU A 50 -0.193 4.908 -2.216 1.00 0.00 C ATOM 794 CG LEU A 50 -0.992 4.365 -3.422 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.864 3.204 -2.953 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.880 5.412 -4.108 1.00 0.00 C ATOM 0 H LEU A 50 2.127 4.874 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 50 0.272 6.952 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.337 4.076 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.900 5.287 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.259 4.049 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.433 2.812 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.232 2.416 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.551 3.553 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.407 4.951 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.605 5.800 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.260 6.230 -4.476 1.00 0.00 H new ATOM 808 N GLU A 51 1.826 7.318 -0.741 1.00 0.00 N ATOM 809 CA GLU A 51 2.705 7.654 0.366 1.00 0.00 C ATOM 810 C GLU A 51 1.852 8.226 1.498 1.00 0.00 C ATOM 811 O GLU A 51 0.681 8.568 1.298 1.00 0.00 O ATOM 812 CB GLU A 51 3.806 8.609 -0.125 1.00 0.00 C ATOM 813 CG GLU A 51 3.323 10.051 -0.346 1.00 0.00 C ATOM 814 CD GLU A 51 4.186 10.785 -1.374 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.245 11.335 -0.999 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.839 10.810 -2.580 1.00 0.00 O ATOM 0 H GLU A 51 1.174 8.068 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 51 3.219 6.776 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.619 8.615 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.216 8.226 -1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.286 10.040 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.345 10.591 0.600 1.00 0.00 H new ATOM 823 N ASP A 52 2.417 8.297 2.702 1.00 0.00 N ATOM 824 CA ASP A 52 1.680 8.819 3.844 1.00 0.00 C ATOM 825 C ASP A 52 1.407 10.318 3.725 1.00 0.00 C ATOM 826 O ASP A 52 2.023 11.037 2.933 1.00 0.00 O ATOM 827 CB ASP A 52 2.271 8.395 5.188 1.00 0.00 C ATOM 828 CG ASP A 52 3.598 9.059 5.512 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.605 10.168 6.089 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.641 8.411 5.269 1.00 0.00 O ATOM 0 H ASP A 52 3.372 8.003 2.908 1.00 0.00 H new ATOM 0 HA ASP A 52 0.699 8.345 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.557 8.628 5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.407 7.313 5.189 1.00 0.00 H new ATOM 835 N GLY A 53 0.443 10.773 4.524 1.00 0.00 N ATOM 836 CA GLY A 53 -0.040 12.147 4.565 1.00 0.00 C ATOM 837 C GLY A 53 -1.371 12.241 3.802 1.00 0.00 C ATOM 838 O GLY A 53 -2.046 13.272 3.844 1.00 0.00 O ATOM 0 H GLY A 53 -0.041 10.167 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.177 12.466 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.696 12.817 4.120 1.00 0.00 H new ATOM 842 N ARG A 54 -1.766 11.173 3.103 1.00 0.00 N ATOM 843 CA ARG A 54 -2.985 11.030 2.326 1.00 0.00 C ATOM 844 C ARG A 54 -3.813 9.895 2.925 1.00 0.00 C ATOM 845 O ARG A 54 -3.391 9.249 3.889 1.00 0.00 O ATOM 846 CB ARG A 54 -2.592 10.700 0.881 1.00 0.00 C ATOM 847 CG ARG A 54 -1.810 11.808 0.172 1.00 0.00 C ATOM 848 CD ARG A 54 -2.677 13.035 -0.135 1.00 0.00 C ATOM 849 NE ARG A 54 -2.158 13.794 -1.287 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.799 14.071 -2.430 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.032 13.637 -2.659 1.00 0.00 N ATOM 852 NH2 ARG A 54 -2.182 14.786 -3.359 1.00 0.00 N ATOM 0 H ARG A 54 -1.195 10.328 3.068 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.575 11.947 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.992 9.790 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.496 10.487 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.968 12.109 0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.396 11.418 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.699 12.716 -0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.714 13.683 0.741 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.205 14.148 -1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.515 13.078 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.497 13.863 -3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.231 15.118 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.658 15.004 -4.234 1.00 0.00 H new ATOM 866 N THR A 55 -4.967 9.632 2.330 1.00 0.00 N ATOM 867 CA THR A 55 -5.911 8.596 2.712 1.00 0.00 C ATOM 868 C THR A 55 -6.286 7.801 1.471 1.00 0.00 C ATOM 869 O THR A 55 -5.851 8.104 0.353 1.00 0.00 O ATOM 870 CB THR A 55 -7.196 9.216 3.289 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.773 10.044 2.298 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.023 10.008 4.575 1.00 0.00 C ATOM 0 H THR A 55 -5.286 10.167 1.522 1.00 0.00 H new ATOM 0 HA THR A 55 -5.448 7.960 3.467 1.00 0.00 H new ATOM 0 HB THR A 55 -7.839 8.379 3.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.595 10.447 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.989 10.400 4.894 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.621 9.357 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.334 10.835 4.403 1.00 0.00 H new ATOM 880 N LEU A 56 -7.114 6.779 1.665 1.00 0.00 N ATOM 881 CA LEU A 56 -7.584 5.974 0.559 1.00 0.00 C ATOM 882 C LEU A 56 -8.521 6.823 -0.308 1.00 0.00 C ATOM 883 O LEU A 56 -8.486 6.720 -1.537 1.00 0.00 O ATOM 884 CB LEU A 56 -8.325 4.746 1.100 1.00 0.00 C ATOM 885 CG LEU A 56 -7.763 3.463 0.472 1.00 0.00 C ATOM 886 CD1 LEU A 56 -6.874 2.732 1.474 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.908 2.607 -0.044 1.00 0.00 C ATOM 0 H LEU A 56 -7.469 6.495 2.578 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.742 5.636 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.225 4.702 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.389 4.830 0.881 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.131 3.706 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.481 1.824 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.046 3.379 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.459 2.471 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.509 1.696 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.569 2.347 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.468 3.163 -0.795 1.00 0.00 H new ATOM 899 N SER A 57 -9.340 7.672 0.328 1.00 0.00 N ATOM 900 CA SER A 57 -10.278 8.545 -0.362 1.00 0.00 C ATOM 901 C SER A 57 -9.505 9.608 -1.149 1.00 0.00 C ATOM 902 O SER A 57 -9.889 9.901 -2.283 1.00 0.00 O ATOM 903 CB SER A 57 -11.276 9.165 0.631 1.00 0.00 C ATOM 904 OG SER A 57 -12.618 8.902 0.256 1.00 0.00 O ATOM 0 H SER A 57 -9.364 7.767 1.343 1.00 0.00 H new ATOM 0 HA SER A 57 -10.865 7.962 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.092 8.767 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.117 10.242 0.683 1.00 0.00 H new ATOM 0 HG SER A 57 -13.226 9.308 0.909 1.00 0.00 H new ATOM 910 N ASP A 58 -8.404 10.151 -0.609 1.00 0.00 N ATOM 911 CA ASP A 58 -7.591 11.167 -1.293 1.00 0.00 C ATOM 912 C ASP A 58 -6.971 10.582 -2.557 1.00 0.00 C ATOM 913 O ASP A 58 -6.709 11.322 -3.511 1.00 0.00 O ATOM 914 CB ASP A 58 -6.388 11.639 -0.465 1.00 0.00 C ATOM 915 CG ASP A 58 -6.641 12.648 0.653 1.00 0.00 C ATOM 916 OD1 ASP A 58 -5.699 12.829 1.452 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.709 13.307 0.714 1.00 0.00 O ATOM 0 H ASP A 58 -8.052 9.898 0.314 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.277 11.993 -1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.921 10.759 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.661 12.075 -1.150 1.00 0.00 H new ATOM 922 N TYR A 59 -6.674 9.275 -2.566 1.00 0.00 N ATOM 923 CA TYR A 59 -6.091 8.648 -3.740 1.00 0.00 C ATOM 924 C TYR A 59 -7.180 8.064 -4.644 1.00 0.00 C ATOM 925 O TYR A 59 -6.868 7.550 -5.723 1.00 0.00 O ATOM 926 CB TYR A 59 -5.035 7.620 -3.326 1.00 0.00 C ATOM 927 CG TYR A 59 -3.695 8.229 -2.945 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.022 9.081 -3.843 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.090 7.905 -1.718 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.751 9.590 -3.527 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.796 8.371 -1.430 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.114 9.197 -2.337 1.00 0.00 C ATOM 933 OH TYR A 59 0.154 9.589 -2.049 1.00 0.00 O ATOM 0 H TYR A 59 -6.829 8.645 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.577 9.404 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.414 7.045 -2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.884 6.919 -4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.487 9.345 -4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.619 7.299 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.264 10.282 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.321 8.091 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 59 0.327 10.462 -2.458 1.00 0.00 H new ATOM 943 N ASN A 60 -8.448 8.205 -4.243 1.00 0.00 N ATOM 944 CA ASN A 60 -9.646 7.729 -4.914 1.00 0.00 C ATOM 945 C ASN A 60 -9.449 6.275 -5.347 1.00 0.00 C ATOM 946 O ASN A 60 -9.372 5.952 -6.535 1.00 0.00 O ATOM 947 CB ASN A 60 -10.046 8.679 -6.046 1.00 0.00 C ATOM 948 CG ASN A 60 -11.313 8.192 -6.678 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.331 7.965 -6.033 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.218 7.881 -7.946 1.00 0.00 N ATOM 0 H ASN A 60 -8.672 8.692 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.493 7.732 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.185 9.688 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.251 8.731 -6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.003 7.438 -8.423 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.359 8.082 -8.457 1.00 0.00 H new ATOM 957 N ILE A 61 -9.321 5.408 -4.349 1.00 0.00 N ATOM 958 CA ILE A 61 -9.106 3.972 -4.482 1.00 0.00 C ATOM 959 C ILE A 61 -10.433 3.271 -4.211 1.00 0.00 C ATOM 960 O ILE A 61 -11.161 3.590 -3.268 1.00 0.00 O ATOM 961 CB ILE A 61 -7.957 3.488 -3.554 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.648 4.216 -3.939 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.782 1.961 -3.613 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.448 3.901 -3.044 1.00 0.00 C ATOM 0 H ILE A 61 -9.367 5.704 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.781 3.723 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.214 3.733 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.394 3.957 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.827 5.291 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.969 1.662 -2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.705 1.476 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.547 1.661 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.578 4.458 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.675 4.188 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.235 2.833 -3.084 1.00 0.00 H new ATOM 976 N GLN A 62 -10.746 2.310 -5.072 1.00 0.00 N ATOM 977 CA GLN A 62 -11.948 1.502 -5.015 1.00 0.00 C ATOM 978 C GLN A 62 -11.656 0.253 -4.176 1.00 0.00 C ATOM 979 O GLN A 62 -10.494 -0.067 -3.893 1.00 0.00 O ATOM 980 CB GLN A 62 -12.362 1.146 -6.451 1.00 0.00 C ATOM 981 CG GLN A 62 -12.814 2.366 -7.283 1.00 0.00 C ATOM 982 CD GLN A 62 -11.686 3.355 -7.569 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.627 2.982 -8.061 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.842 4.612 -7.200 1.00 0.00 N ATOM 0 H GLN A 62 -10.143 2.067 -5.858 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.772 2.039 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.523 0.664 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.173 0.419 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.231 2.018 -8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.614 2.882 -6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.725 4.918 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.080 5.278 -7.324 1.00 0.00 H new ATOM 993 N LYS A 63 -12.699 -0.431 -3.715 1.00 0.00 N ATOM 994 CA LYS A 63 -12.551 -1.649 -2.916 1.00 0.00 C ATOM 995 C LYS A 63 -12.098 -2.789 -3.831 1.00 0.00 C ATOM 996 O LYS A 63 -12.168 -2.666 -5.058 1.00 0.00 O ATOM 997 CB LYS A 63 -13.842 -1.949 -2.141 1.00 0.00 C ATOM 998 CG LYS A 63 -15.099 -1.852 -3.010 1.00 0.00 C ATOM 999 CD LYS A 63 -16.353 -2.198 -2.216 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.532 -1.980 -3.160 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.812 -2.294 -2.513 1.00 0.00 N ATOM 0 H LYS A 63 -13.668 -0.160 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.781 -1.520 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.779 -2.950 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.929 -1.252 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.188 -0.843 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.008 -2.527 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.320 -3.230 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.440 -1.566 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.540 -0.944 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.409 -2.604 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.589 -2.134 -3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.814 -3.290 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.941 -1.681 -1.683 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.598 -3.873 -3.235 1.00 0.00 N ATOM 1016 CA GLU A 64 -11.085 -5.060 -3.923 1.00 0.00 C ATOM 1017 C GLU A 64 -10.094 -4.687 -5.050 1.00 0.00 C ATOM 1018 O GLU A 64 -10.062 -5.328 -6.110 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.227 -5.999 -4.367 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.928 -6.738 -3.210 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.274 -6.171 -2.737 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.997 -6.907 -2.014 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.647 -5.038 -3.098 1.00 0.00 O ATOM 0 H GLU A 64 -11.537 -3.951 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.499 -5.639 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.969 -5.416 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.826 -6.736 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.084 -7.773 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.249 -6.755 -2.358 1.00 0.00 H new ATOM 1030 N SER A 65 -9.308 -3.623 -4.838 1.00 0.00 N ATOM 1031 CA SER A 65 -8.307 -3.120 -5.773 1.00 0.00 C ATOM 1032 C SER A 65 -7.065 -4.031 -5.801 1.00 0.00 C ATOM 1033 O SER A 65 -7.058 -5.064 -5.127 1.00 0.00 O ATOM 1034 CB SER A 65 -8.030 -1.637 -5.501 1.00 0.00 C ATOM 1035 OG SER A 65 -8.126 -1.293 -4.136 1.00 0.00 O ATOM 0 H SER A 65 -9.358 -3.074 -3.980 1.00 0.00 H new ATOM 0 HA SER A 65 -8.690 -3.160 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.032 -1.389 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.735 -1.032 -6.072 1.00 0.00 H new ATOM 0 HG SER A 65 -9.050 -1.042 -3.926 1.00 0.00 H new ATOM 1041 N THR A 66 -6.027 -3.695 -6.586 1.00 0.00 N ATOM 1042 CA THR A 66 -4.836 -4.537 -6.689 1.00 0.00 C ATOM 1043 C THR A 66 -3.662 -3.589 -6.704 1.00 0.00 C ATOM 1044 O THR A 66 -3.335 -2.988 -7.731 1.00 0.00 O ATOM 1045 CB THR A 66 -4.877 -5.432 -7.944 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.140 -6.043 -8.091 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.809 -6.530 -7.894 1.00 0.00 C ATOM 0 H THR A 66 -5.994 -2.848 -7.154 1.00 0.00 H new ATOM 0 HA THR A 66 -4.766 -5.231 -5.851 1.00 0.00 H new ATOM 0 HB THR A 66 -4.680 -4.780 -8.795 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.141 -6.604 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.871 -7.139 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.821 -6.074 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.975 -7.159 -7.019 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.101 -3.369 -5.529 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.980 -2.485 -5.348 1.00 0.00 C ATOM 1057 C LEU A 67 -0.710 -3.217 -5.758 1.00 0.00 C ATOM 1058 O LEU A 67 -0.630 -4.439 -5.592 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.943 -2.022 -3.880 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.916 -0.866 -3.562 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.391 -1.180 -3.856 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.803 -0.450 -2.096 1.00 0.00 C ATOM 0 H LEU A 67 -3.421 -3.809 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.069 -1.596 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.179 -2.869 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.929 -1.708 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.613 -0.059 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.004 -0.315 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.509 -1.413 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.707 -2.035 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.497 0.366 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.046 -1.299 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.785 -0.119 -1.889 1.00 0.00 H new ATOM 1074 N HIS A 68 0.277 -2.497 -6.290 1.00 0.00 N ATOM 1075 CA HIS A 68 1.555 -3.078 -6.698 1.00 0.00 C ATOM 1076 C HIS A 68 2.640 -2.606 -5.737 1.00 0.00 C ATOM 1077 O HIS A 68 2.680 -1.416 -5.420 1.00 0.00 O ATOM 1078 CB HIS A 68 1.908 -2.700 -8.147 1.00 0.00 C ATOM 1079 CG HIS A 68 2.174 -3.922 -8.982 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.959 -4.984 -8.598 1.00 0.00 N ATOM 1081 CD2 HIS A 68 1.602 -4.222 -10.187 1.00 0.00 C ATOM 1082 CE1 HIS A 68 2.850 -5.918 -9.559 1.00 0.00 C ATOM 1083 NE2 HIS A 68 2.033 -5.503 -10.545 1.00 0.00 N ATOM 0 H HIS A 68 0.212 -1.492 -6.450 1.00 0.00 H new ATOM 0 HA HIS A 68 1.479 -4.165 -6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.090 -2.129 -8.585 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.787 -2.055 -8.153 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.940 -3.587 -10.757 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.351 -6.874 -9.542 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.779 -6.020 -11.386 1.00 0.00 H new ATOM 1090 N LEU A 69 3.500 -3.512 -5.263 1.00 0.00 N ATOM 1091 CA LEU A 69 4.582 -3.155 -4.356 1.00 0.00 C ATOM 1092 C LEU A 69 5.863 -3.074 -5.161 1.00 0.00 C ATOM 1093 O LEU A 69 6.150 -3.940 -5.988 1.00 0.00 O ATOM 1094 CB LEU A 69 4.774 -4.172 -3.211 1.00 0.00 C ATOM 1095 CG LEU A 69 4.217 -3.734 -1.846 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.531 -4.794 -0.789 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.807 -2.403 -1.369 1.00 0.00 C ATOM 0 H LEU A 69 3.463 -4.504 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 69 4.328 -2.201 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.297 -5.110 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.839 -4.376 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 69 3.142 -3.611 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.133 -4.476 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.073 -5.741 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.611 -4.922 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.379 -2.141 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.889 -2.498 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.573 -1.621 -2.092 1.00 0.00 H new ATOM 1109 N VAL A 70 6.615 -2.013 -4.918 1.00 0.00 N ATOM 1110 CA VAL A 70 7.900 -1.731 -5.528 1.00 0.00 C ATOM 1111 C VAL A 70 8.764 -1.153 -4.410 1.00 0.00 C ATOM 1112 O VAL A 70 8.253 -0.771 -3.347 1.00 0.00 O ATOM 1113 CB VAL A 70 7.769 -0.783 -6.741 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.061 -1.450 -7.927 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.040 0.521 -6.400 1.00 0.00 C ATOM 0 H VAL A 70 6.330 -1.291 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 70 8.356 -2.630 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 70 8.795 -0.545 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.993 -0.744 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.627 -2.326 -8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.058 -1.755 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.978 1.147 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.035 0.294 -6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.588 1.051 -5.621 1.00 0.00 H new ATOM 1125 N LEU A 71 10.074 -1.071 -4.619 1.00 0.00 N ATOM 1126 CA LEU A 71 10.985 -0.526 -3.625 1.00 0.00 C ATOM 1127 C LEU A 71 11.774 0.627 -4.222 1.00 0.00 C ATOM 1128 O LEU A 71 11.675 0.941 -5.415 1.00 0.00 O ATOM 1129 CB LEU A 71 11.810 -1.636 -2.946 1.00 0.00 C ATOM 1130 CG LEU A 71 12.722 -2.518 -3.816 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.034 -1.821 -4.154 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.103 -3.783 -3.040 1.00 0.00 C ATOM 0 H LEU A 71 10.530 -1.379 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 71 10.427 -0.088 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.433 -1.166 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.114 -2.294 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 71 12.167 -2.738 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.648 -2.479 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.827 -0.901 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.567 -1.583 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.749 -4.408 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.631 -3.505 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.201 -4.338 -2.783 1.00 0.00 H new ATOM 1144 N ARG A 72 12.465 1.340 -3.346 1.00 0.00 N ATOM 1145 CA ARG A 72 13.324 2.484 -3.570 1.00 0.00 C ATOM 1146 C ARG A 72 14.065 2.654 -2.253 1.00 0.00 C ATOM 1147 O ARG A 72 13.530 2.246 -1.219 1.00 0.00 O ATOM 1148 CB ARG A 72 12.484 3.723 -3.889 1.00 0.00 C ATOM 1149 CG ARG A 72 13.298 4.798 -4.628 1.00 0.00 C ATOM 1150 CD ARG A 72 13.595 6.005 -3.734 1.00 0.00 C ATOM 1151 NE ARG A 72 14.380 7.020 -4.453 1.00 0.00 N ATOM 1152 CZ ARG A 72 14.354 8.331 -4.196 1.00 0.00 C ATOM 1153 NH1 ARG A 72 13.685 8.800 -3.151 1.00 0.00 N ATOM 1154 NH2 ARG A 72 15.007 9.186 -4.969 1.00 0.00 N ATOM 0 H ARG A 72 12.431 1.102 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 72 14.003 2.348 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.628 3.433 -4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.089 4.141 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.236 4.366 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.749 5.126 -5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.659 6.443 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.141 5.679 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 72 14.990 6.699 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.185 8.158 -2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.671 9.802 -2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.537 8.846 -5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.979 10.184 -4.762 1.00 0.00 H new ATOM 1168 N LEU A 73 15.228 3.290 -2.260 1.00 0.00 N ATOM 1169 CA LEU A 73 16.013 3.481 -1.052 1.00 0.00 C ATOM 1170 C LEU A 73 16.559 4.896 -0.985 1.00 0.00 C ATOM 1171 O LEU A 73 16.426 5.688 -1.924 1.00 0.00 O ATOM 1172 CB LEU A 73 17.123 2.413 -1.010 1.00 0.00 C ATOM 1173 CG LEU A 73 16.816 1.272 -0.026 1.00 0.00 C ATOM 1174 CD1 LEU A 73 17.775 0.105 -0.275 1.00 0.00 C ATOM 1175 CD2 LEU A 73 16.933 1.733 1.433 1.00 0.00 C ATOM 0 H LEU A 73 15.651 3.686 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 73 15.386 3.356 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.260 1.998 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.065 2.885 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 73 15.788 0.953 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.555 -0.702 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.652 -0.256 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.802 0.441 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.709 0.898 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.947 2.086 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.227 2.543 1.616 1.00 0.00 H new ATOM 1187 N ARG A 74 17.168 5.205 0.156 1.00 0.00 N ATOM 1188 CA ARG A 74 17.760 6.495 0.472 1.00 0.00 C ATOM 1189 C ARG A 74 18.878 6.907 -0.477 1.00 0.00 C ATOM 1190 O ARG A 74 19.329 6.122 -1.317 1.00 0.00 O ATOM 1191 CB ARG A 74 18.202 6.475 1.934 1.00 0.00 C ATOM 1192 CG ARG A 74 19.393 5.549 2.187 1.00 0.00 C ATOM 1193 CD ARG A 74 19.766 5.714 3.646 1.00 0.00 C ATOM 1194 NE ARG A 74 21.030 5.060 3.983 1.00 0.00 N ATOM 1195 CZ ARG A 74 21.403 4.843 5.244 1.00 0.00 C ATOM 1196 NH1 ARG A 74 20.641 5.279 6.244 1.00 0.00 N ATOM 1197 NH2 ARG A 74 22.527 4.194 5.508 1.00 0.00 N ATOM 0 H ARG A 74 17.265 4.532 0.916 1.00 0.00 H new ATOM 0 HA ARG A 74 17.004 7.267 0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.464 7.487 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 74 17.365 6.159 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.132 4.514 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.231 5.810 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 74 19.837 6.776 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.972 5.303 4.269 1.00 0.00 H new ATOM 0 HE ARG A 74 21.647 4.760 3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.774 5.778 6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.924 5.114 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.113 3.857 4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.807 4.031 6.475 1.00 0.00 H new ATOM 1211 N GLY A 75 19.342 8.147 -0.350 1.00 0.00 N ATOM 1212 CA GLY A 75 20.402 8.714 -1.172 1.00 0.00 C ATOM 1213 C GLY A 75 21.788 8.376 -0.638 1.00 0.00 C ATOM 1214 O GLY A 75 22.636 9.262 -0.500 1.00 0.00 O ATOM 0 H GLY A 75 18.981 8.800 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.307 8.342 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 20.286 9.797 -1.216 1.00 0.00 H new ATOM 1218 N GLY A 76 21.991 7.108 -0.289 1.00 0.00 N ATOM 1219 CA GLY A 76 23.213 6.528 0.238 1.00 0.00 C ATOM 1220 C GLY A 76 22.845 5.139 0.699 1.00 0.00 C ATOM 1221 O GLY A 76 23.015 4.843 1.899 1.00 0.00 O ATOM 0 H GLY A 76 21.249 6.413 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.990 6.493 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.604 7.123 1.063 1.00 0.00 H new TER 1225 GLY A 76