USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 627 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -1.8! (180deg=-2.14!) USER MOD Single : A 2 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.9) USER MOD Single : A 7 THR OG1 : rot -140:sc= -2.73! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -109:sc= -0.134 (180deg=-2.19!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -107:sc= 0.279 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 25 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -1.32 (180deg=-3.58!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.64! C(o=-4.6!,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.4!) USER MOD Single : A 41 GLN : amide:sc= -5.87! C(o=-5.9!,f=-9.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00433 X(o=-0.0043,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 64:sc=-0.00622 USER MOD Single : A 60 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.4) USER MOD Single : A 62 GLN : amide:sc= -0.0964 K(o=-0.096,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 45:sc= 0.105 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.267 -5.778 4.495 1.00 0.00 N ATOM 2 CA MET A 1 -12.401 -5.069 5.755 1.00 0.00 C ATOM 3 C MET A 1 -11.609 -3.760 5.736 1.00 0.00 C ATOM 4 O MET A 1 -11.117 -3.344 4.689 1.00 0.00 O ATOM 5 CB MET A 1 -11.896 -5.954 6.896 1.00 0.00 C ATOM 6 CG MET A 1 -10.426 -6.326 6.691 1.00 0.00 C ATOM 7 SD MET A 1 -9.963 -7.631 7.818 1.00 0.00 S ATOM 8 CE MET A 1 -10.442 -9.056 6.857 1.00 0.00 C ATOM 0 H1 MET A 1 -12.698 -6.720 4.579 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.747 -5.243 3.743 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.259 -5.879 4.259 1.00 0.00 H new ATOM 0 HA MET A 1 -13.454 -4.832 5.906 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.014 -5.432 7.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.500 -6.860 6.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.264 -6.648 5.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.795 -5.452 6.854 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.220 -9.964 7.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.511 -9.011 6.647 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.888 -9.065 5.918 1.00 0.00 H new ATOM 18 N GLN A 2 -11.513 -3.147 6.907 1.00 0.00 N ATOM 19 CA GLN A 2 -10.789 -1.893 7.037 1.00 0.00 C ATOM 20 C GLN A 2 -9.324 -2.161 7.389 1.00 0.00 C ATOM 21 O GLN A 2 -9.012 -3.147 8.053 1.00 0.00 O ATOM 22 CB GLN A 2 -11.447 -0.986 8.078 1.00 0.00 C ATOM 23 CG GLN A 2 -10.640 0.299 8.273 1.00 0.00 C ATOM 24 CD GLN A 2 -11.179 1.111 9.453 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.785 0.933 10.594 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.100 2.009 9.116 1.00 0.00 N ATOM 0 H GLN A 2 -11.924 -3.495 7.773 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.823 -1.374 6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.460 -0.739 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.529 -1.516 9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.592 0.052 8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.681 0.900 7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.385 2.107 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.522 2.600 9.832 1.00 0.00 H new ATOM 35 N ILE A 3 -8.466 -1.263 6.927 1.00 0.00 N ATOM 36 CA ILE A 3 -7.041 -1.390 7.185 1.00 0.00 C ATOM 37 C ILE A 3 -6.449 -0.003 7.442 1.00 0.00 C ATOM 38 O ILE A 3 -7.100 1.011 7.191 1.00 0.00 O ATOM 39 CB ILE A 3 -6.355 -2.150 6.047 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.166 -1.250 4.824 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.120 -3.429 5.705 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.512 -0.745 4.301 1.00 0.00 C ATOM 0 H ILE A 3 -8.729 -0.446 6.376 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.868 -1.983 8.083 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.362 -2.449 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.533 -0.402 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.650 -1.802 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.612 -3.951 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.160 -4.075 6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.134 -3.175 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.349 -0.108 3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.134 -1.594 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.014 -0.173 5.081 1.00 0.00 H new ATOM 54 N PHE A 4 -5.220 -0.001 7.940 1.00 0.00 N ATOM 55 CA PHE A 4 -4.533 1.244 8.234 1.00 0.00 C ATOM 56 C PHE A 4 -3.255 1.375 7.404 1.00 0.00 C ATOM 57 O PHE A 4 -2.239 0.757 7.720 1.00 0.00 O ATOM 58 CB PHE A 4 -4.163 1.211 9.718 1.00 0.00 C ATOM 59 CG PHE A 4 -5.344 1.453 10.660 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.429 0.633 10.613 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.309 2.485 11.544 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.526 0.857 11.488 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.406 2.709 12.418 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.491 1.890 12.372 1.00 0.00 C ATOM 0 H PHE A 4 -4.683 -0.843 8.147 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.177 2.090 7.994 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.719 0.243 9.950 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.399 1.965 9.908 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.456 -0.187 9.911 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.447 3.135 11.582 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.388 0.207 11.451 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.379 3.530 13.119 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.325 2.060 13.037 1.00 0.00 H new ATOM 74 N VAL A 5 -3.346 2.183 6.358 1.00 0.00 N ATOM 75 CA VAL A 5 -2.209 2.402 5.480 1.00 0.00 C ATOM 76 C VAL A 5 -1.396 3.592 5.993 1.00 0.00 C ATOM 77 O VAL A 5 -1.962 4.594 6.429 1.00 0.00 O ATOM 78 CB VAL A 5 -2.689 2.582 4.038 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.855 4.064 3.697 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.738 1.898 3.054 1.00 0.00 C ATOM 0 H VAL A 5 -4.190 2.694 6.099 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.551 1.533 5.483 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.665 2.105 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.197 4.164 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.588 4.512 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.898 4.573 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.102 2.041 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.743 2.333 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.690 0.832 3.276 1.00 0.00 H new ATOM 90 N LYS A 6 -0.081 3.444 5.924 1.00 0.00 N ATOM 91 CA LYS A 6 0.815 4.493 6.376 1.00 0.00 C ATOM 92 C LYS A 6 1.454 5.170 5.162 1.00 0.00 C ATOM 93 O LYS A 6 1.714 4.521 4.150 1.00 0.00 O ATOM 94 CB LYS A 6 1.832 3.937 7.375 1.00 0.00 C ATOM 95 CG LYS A 6 1.480 4.353 8.805 1.00 0.00 C ATOM 96 CD LYS A 6 2.084 3.384 9.822 1.00 0.00 C ATOM 97 CE LYS A 6 1.031 2.396 10.329 1.00 0.00 C ATOM 98 NZ LYS A 6 1.575 1.585 11.441 1.00 0.00 N ATOM 0 H LYS A 6 0.385 2.612 5.561 1.00 0.00 H new ATOM 0 HA LYS A 6 0.260 5.261 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.859 2.850 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.829 4.297 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.848 5.361 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.397 4.381 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.909 2.839 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.498 3.943 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.147 2.938 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.715 1.743 9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.848 0.920 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.405 1.053 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.855 2.211 12.223 1.00 0.00 H new ATOM 112 N THR A 7 1.688 6.467 5.303 1.00 0.00 N ATOM 113 CA THR A 7 2.291 7.240 4.229 1.00 0.00 C ATOM 114 C THR A 7 3.785 7.438 4.490 1.00 0.00 C ATOM 115 O THR A 7 4.277 7.123 5.573 1.00 0.00 O ATOM 116 CB THR A 7 1.517 8.552 4.099 1.00 0.00 C ATOM 117 OG1 THR A 7 0.152 8.147 4.043 1.00 0.00 O ATOM 118 CG2 THR A 7 1.757 9.242 2.755 1.00 0.00 C ATOM 0 H THR A 7 1.471 7.002 6.144 1.00 0.00 H new ATOM 0 HA THR A 7 2.226 6.713 3.277 1.00 0.00 H new ATOM 0 HB THR A 7 1.803 9.224 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.325 8.694 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.184 10.169 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.818 9.466 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.440 8.584 1.946 1.00 0.00 H new ATOM 126 N LEU A 8 4.466 7.958 3.480 1.00 0.00 N ATOM 127 CA LEU A 8 5.894 8.202 3.586 1.00 0.00 C ATOM 128 C LEU A 8 6.148 9.250 4.673 1.00 0.00 C ATOM 129 O LEU A 8 7.285 9.439 5.104 1.00 0.00 O ATOM 130 CB LEU A 8 6.477 8.578 2.222 1.00 0.00 C ATOM 131 CG LEU A 8 7.993 8.436 2.078 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.439 7.000 2.363 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.462 8.920 0.704 1.00 0.00 C ATOM 0 H LEU A 8 4.055 8.217 2.583 1.00 0.00 H new ATOM 0 HA LEU A 8 6.414 7.293 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.000 7.959 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.207 9.612 2.006 1.00 0.00 H new ATOM 0 HG LEU A 8 8.468 9.075 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.521 6.927 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.158 6.727 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.956 6.323 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.544 8.808 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.981 8.328 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.196 9.970 0.578 1.00 0.00 H new ATOM 145 N THR A 9 5.072 9.903 5.083 1.00 0.00 N ATOM 146 CA THR A 9 5.164 10.927 6.111 1.00 0.00 C ATOM 147 C THR A 9 4.721 10.365 7.463 1.00 0.00 C ATOM 148 O THR A 9 4.228 11.104 8.315 1.00 0.00 O ATOM 149 CB THR A 9 4.339 12.132 5.653 1.00 0.00 C ATOM 150 OG1 THR A 9 5.043 12.622 4.515 1.00 0.00 O ATOM 151 CG2 THR A 9 4.392 13.290 6.651 1.00 0.00 C ATOM 0 H THR A 9 4.131 9.744 4.723 1.00 0.00 H new ATOM 0 HA THR A 9 6.194 11.255 6.252 1.00 0.00 H new ATOM 0 HB THR A 9 3.303 11.828 5.504 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.576 13.404 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.791 14.119 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.999 12.960 7.613 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.424 13.617 6.774 1.00 0.00 H new ATOM 159 N GLY A 10 4.913 9.064 7.620 1.00 0.00 N ATOM 160 CA GLY A 10 4.540 8.395 8.854 1.00 0.00 C ATOM 161 C GLY A 10 3.104 8.743 9.253 1.00 0.00 C ATOM 162 O GLY A 10 2.732 8.617 10.419 1.00 0.00 O ATOM 0 H GLY A 10 5.323 8.455 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.636 7.316 8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.224 8.687 9.651 1.00 0.00 H new ATOM 166 N LYS A 11 2.336 9.173 8.263 1.00 0.00 N ATOM 167 CA LYS A 11 0.949 9.539 8.497 1.00 0.00 C ATOM 168 C LYS A 11 0.087 8.276 8.498 1.00 0.00 C ATOM 169 O LYS A 11 0.384 7.315 7.790 1.00 0.00 O ATOM 170 CB LYS A 11 0.497 10.593 7.484 1.00 0.00 C ATOM 171 CG LYS A 11 1.050 11.973 7.844 1.00 0.00 C ATOM 172 CD LYS A 11 0.794 12.978 6.719 1.00 0.00 C ATOM 173 CE LYS A 11 0.686 14.402 7.269 1.00 0.00 C ATOM 174 NZ LYS A 11 1.469 15.340 6.433 1.00 0.00 N ATOM 0 H LYS A 11 2.647 9.276 7.297 1.00 0.00 H new ATOM 0 HA LYS A 11 0.836 10.003 9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.834 10.311 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.592 10.630 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.585 12.326 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.121 11.901 8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.602 12.926 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.125 12.716 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.359 14.711 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.050 14.430 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.311 15.653 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.764 14.862 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.883 16.165 6.195 1.00 0.00 H new ATOM 188 N THR A 12 -0.966 8.319 9.301 1.00 0.00 N ATOM 189 CA THR A 12 -1.875 7.190 9.404 1.00 0.00 C ATOM 190 C THR A 12 -3.160 7.466 8.620 1.00 0.00 C ATOM 191 O THR A 12 -3.885 8.413 8.924 1.00 0.00 O ATOM 192 CB THR A 12 -2.117 6.911 10.890 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.852 6.466 11.370 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.044 5.716 11.117 1.00 0.00 C ATOM 0 H THR A 12 -1.210 9.118 9.886 1.00 0.00 H new ATOM 0 HA THR A 12 -1.445 6.294 8.956 1.00 0.00 H new ATOM 0 HB THR A 12 -2.544 7.796 11.361 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.918 6.264 12.327 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.183 5.561 12.187 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.010 5.911 10.650 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.601 4.823 10.676 1.00 0.00 H new ATOM 202 N ILE A 13 -3.403 6.622 7.628 1.00 0.00 N ATOM 203 CA ILE A 13 -4.588 6.763 6.799 1.00 0.00 C ATOM 204 C ILE A 13 -5.372 5.450 6.809 1.00 0.00 C ATOM 205 O ILE A 13 -4.885 4.430 6.324 1.00 0.00 O ATOM 206 CB ILE A 13 -4.205 7.241 5.397 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.683 8.679 5.430 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.376 7.079 4.425 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.170 8.708 5.652 1.00 0.00 C ATOM 0 H ILE A 13 -2.799 5.838 7.380 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.248 7.530 7.204 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.392 6.613 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.926 9.180 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.182 9.232 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.078 7.426 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.661 6.028 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.224 7.667 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.825 9.742 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.932 8.228 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.673 8.175 4.842 1.00 0.00 H new ATOM 221 N THR A 14 -6.571 5.519 7.367 1.00 0.00 N ATOM 222 CA THR A 14 -7.428 4.347 7.446 1.00 0.00 C ATOM 223 C THR A 14 -8.413 4.326 6.276 1.00 0.00 C ATOM 224 O THR A 14 -8.947 5.365 5.891 1.00 0.00 O ATOM 225 CB THR A 14 -8.111 4.353 8.816 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.098 4.812 9.706 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.434 2.943 9.314 1.00 0.00 C ATOM 0 H THR A 14 -6.970 6.367 7.769 1.00 0.00 H new ATOM 0 HA THR A 14 -6.850 3.427 7.359 1.00 0.00 H new ATOM 0 HB THR A 14 -9.029 4.938 8.762 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.783 4.065 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.917 3.003 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.103 2.452 8.607 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.512 2.368 9.401 1.00 0.00 H new ATOM 235 N LEU A 15 -8.624 3.132 5.742 1.00 0.00 N ATOM 236 CA LEU A 15 -9.536 2.962 4.624 1.00 0.00 C ATOM 237 C LEU A 15 -10.378 1.704 4.844 1.00 0.00 C ATOM 238 O LEU A 15 -9.839 0.631 5.115 1.00 0.00 O ATOM 239 CB LEU A 15 -8.767 2.965 3.301 1.00 0.00 C ATOM 240 CG LEU A 15 -9.567 3.371 2.061 1.00 0.00 C ATOM 241 CD1 LEU A 15 -9.192 4.782 1.604 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.401 2.342 0.942 1.00 0.00 C ATOM 0 H LEU A 15 -8.179 2.272 6.063 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.228 3.802 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.918 3.641 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.362 1.966 3.137 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.624 3.390 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.775 5.046 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.403 5.492 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.130 4.815 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.979 2.654 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.348 2.267 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.757 1.371 1.285 1.00 0.00 H new ATOM 254 N GLU A 16 -11.685 1.875 4.719 1.00 0.00 N ATOM 255 CA GLU A 16 -12.606 0.766 4.901 1.00 0.00 C ATOM 256 C GLU A 16 -12.910 0.103 3.557 1.00 0.00 C ATOM 257 O GLU A 16 -13.417 0.749 2.642 1.00 0.00 O ATOM 258 CB GLU A 16 -13.894 1.230 5.586 1.00 0.00 C ATOM 259 CG GLU A 16 -14.694 2.165 4.677 1.00 0.00 C ATOM 260 CD GLU A 16 -15.593 3.091 5.498 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.687 2.624 5.882 1.00 0.00 O ATOM 262 OE2 GLU A 16 -15.167 4.244 5.722 1.00 0.00 O ATOM 0 H GLU A 16 -12.129 2.765 4.494 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.133 0.029 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.502 0.364 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.651 1.743 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.011 2.760 4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.302 1.577 3.990 1.00 0.00 H new ATOM 269 N VAL A 17 -12.585 -1.180 3.480 1.00 0.00 N ATOM 270 CA VAL A 17 -12.817 -1.939 2.263 1.00 0.00 C ATOM 271 C VAL A 17 -13.317 -3.338 2.627 1.00 0.00 C ATOM 272 O VAL A 17 -13.432 -3.674 3.805 1.00 0.00 O ATOM 273 CB VAL A 17 -11.546 -1.962 1.411 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.235 -0.571 0.853 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.361 -2.510 2.209 1.00 0.00 C ATOM 0 H VAL A 17 -12.163 -1.712 4.241 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.590 -1.464 1.658 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.720 -2.630 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.327 -0.615 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.065 -0.234 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.091 0.128 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.471 -2.516 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.186 -1.879 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.581 -3.526 2.536 1.00 0.00 H new ATOM 285 N GLU A 18 -13.603 -4.118 1.594 1.00 0.00 N ATOM 286 CA GLU A 18 -14.088 -5.472 1.789 1.00 0.00 C ATOM 287 C GLU A 18 -12.997 -6.484 1.436 1.00 0.00 C ATOM 288 O GLU A 18 -12.035 -6.149 0.747 1.00 0.00 O ATOM 289 CB GLU A 18 -15.356 -5.725 0.971 1.00 0.00 C ATOM 290 CG GLU A 18 -16.606 -5.609 1.844 1.00 0.00 C ATOM 291 CD GLU A 18 -17.735 -6.491 1.307 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.428 -6.022 0.379 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.878 -7.615 1.837 1.00 0.00 O ATOM 0 H GLU A 18 -13.507 -3.836 0.618 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.344 -5.596 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.413 -5.008 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.312 -6.718 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.368 -5.900 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.936 -4.571 1.877 1.00 0.00 H new ATOM 300 N PRO A 19 -13.186 -7.734 1.938 1.00 0.00 N ATOM 301 CA PRO A 19 -12.230 -8.797 1.682 1.00 0.00 C ATOM 302 C PRO A 19 -12.356 -9.315 0.249 1.00 0.00 C ATOM 303 O PRO A 19 -11.470 -10.011 -0.244 1.00 0.00 O ATOM 304 CB PRO A 19 -12.532 -9.859 2.727 1.00 0.00 C ATOM 305 CG PRO A 19 -13.937 -9.563 3.228 1.00 0.00 C ATOM 306 CD PRO A 19 -14.313 -8.167 2.759 1.00 0.00 C ATOM 0 HA PRO A 19 -11.196 -8.461 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.473 -10.859 2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.810 -9.821 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.643 -10.299 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.975 -9.624 4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.239 -8.179 2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.469 -7.495 3.603 1.00 0.00 H new ATOM 314 N SER A 20 -13.466 -8.957 -0.381 1.00 0.00 N ATOM 315 CA SER A 20 -13.720 -9.377 -1.748 1.00 0.00 C ATOM 316 C SER A 20 -13.134 -8.357 -2.727 1.00 0.00 C ATOM 317 O SER A 20 -12.834 -8.692 -3.872 1.00 0.00 O ATOM 318 CB SER A 20 -15.219 -9.556 -2.000 1.00 0.00 C ATOM 319 OG SER A 20 -15.604 -10.927 -1.980 1.00 0.00 O ATOM 0 H SER A 20 -14.200 -8.380 0.031 1.00 0.00 H new ATOM 0 HA SER A 20 -13.236 -10.341 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.782 -9.011 -1.242 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.479 -9.121 -2.965 1.00 0.00 H new ATOM 0 HG SER A 20 -16.568 -10.999 -2.143 1.00 0.00 H new ATOM 325 N ASP A 21 -12.991 -7.133 -2.241 1.00 0.00 N ATOM 326 CA ASP A 21 -12.448 -6.062 -3.058 1.00 0.00 C ATOM 327 C ASP A 21 -10.993 -6.381 -3.408 1.00 0.00 C ATOM 328 O ASP A 21 -10.268 -6.954 -2.597 1.00 0.00 O ATOM 329 CB ASP A 21 -12.472 -4.729 -2.307 1.00 0.00 C ATOM 330 CG ASP A 21 -13.802 -4.393 -1.629 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.794 -5.082 -1.953 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.797 -3.454 -0.804 1.00 0.00 O ATOM 0 H ASP A 21 -13.242 -6.859 -1.291 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.060 -5.981 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.688 -4.742 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.226 -3.930 -3.007 1.00 0.00 H new ATOM 337 N THR A 22 -10.610 -5.996 -4.617 1.00 0.00 N ATOM 338 CA THR A 22 -9.255 -6.234 -5.084 1.00 0.00 C ATOM 339 C THR A 22 -8.328 -5.105 -4.628 1.00 0.00 C ATOM 340 O THR A 22 -8.789 -4.089 -4.111 1.00 0.00 O ATOM 341 CB THR A 22 -9.302 -6.406 -6.603 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.803 -5.160 -7.078 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.356 -7.424 -7.045 1.00 0.00 C ATOM 0 H THR A 22 -11.215 -5.521 -5.287 1.00 0.00 H new ATOM 0 HA THR A 22 -8.842 -7.146 -4.652 1.00 0.00 H new ATOM 0 HB THR A 22 -8.322 -6.719 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.864 -5.183 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.348 -7.508 -8.132 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.131 -8.395 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.341 -7.095 -6.714 1.00 0.00 H new ATOM 351 N ILE A 23 -7.038 -5.322 -4.837 1.00 0.00 N ATOM 352 CA ILE A 23 -6.042 -4.335 -4.455 1.00 0.00 C ATOM 353 C ILE A 23 -6.273 -3.049 -5.251 1.00 0.00 C ATOM 354 O ILE A 23 -6.190 -1.951 -4.702 1.00 0.00 O ATOM 355 CB ILE A 23 -4.633 -4.909 -4.610 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.291 -5.846 -3.448 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.600 -3.792 -4.767 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.426 -5.126 -2.105 1.00 0.00 C ATOM 0 H ILE A 23 -6.659 -6.166 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.143 -4.080 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.606 -5.504 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.952 -6.712 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.273 -6.219 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.607 -4.228 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.835 -3.200 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.621 -3.151 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.178 -5.814 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.746 -4.274 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.451 -4.776 -1.981 1.00 0.00 H new ATOM 370 N GLU A 24 -6.559 -3.227 -6.532 1.00 0.00 N ATOM 371 CA GLU A 24 -6.803 -2.095 -7.410 1.00 0.00 C ATOM 372 C GLU A 24 -8.015 -1.298 -6.924 1.00 0.00 C ATOM 373 O GLU A 24 -8.046 -0.074 -7.041 1.00 0.00 O ATOM 374 CB GLU A 24 -6.991 -2.553 -8.857 1.00 0.00 C ATOM 375 CG GLU A 24 -6.300 -1.596 -9.830 1.00 0.00 C ATOM 376 CD GLU A 24 -7.321 -0.719 -10.557 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.342 -1.287 -11.000 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.058 0.499 -10.653 1.00 0.00 O ATOM 0 H GLU A 24 -6.627 -4.139 -6.984 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.930 -1.443 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.585 -3.557 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.055 -2.608 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.596 -0.966 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.722 -2.166 -10.557 1.00 0.00 H new ATOM 385 N ASN A 25 -8.985 -2.025 -6.388 1.00 0.00 N ATOM 386 CA ASN A 25 -10.197 -1.403 -5.884 1.00 0.00 C ATOM 387 C ASN A 25 -9.856 -0.551 -4.660 1.00 0.00 C ATOM 388 O ASN A 25 -10.295 0.594 -4.554 1.00 0.00 O ATOM 389 CB ASN A 25 -11.221 -2.455 -5.456 1.00 0.00 C ATOM 390 CG ASN A 25 -12.620 -2.097 -5.962 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.505 -1.730 -5.208 1.00 0.00 O ATOM 392 ND2 ASN A 25 -12.769 -2.225 -7.278 1.00 0.00 N ATOM 0 H ASN A 25 -8.955 -3.040 -6.292 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.620 -0.794 -6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.929 -3.431 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.233 -2.535 -4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.666 -2.011 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.986 -2.537 -7.852 1.00 0.00 H new ATOM 399 N VAL A 26 -9.076 -1.141 -3.767 1.00 0.00 N ATOM 400 CA VAL A 26 -8.671 -0.450 -2.554 1.00 0.00 C ATOM 401 C VAL A 26 -7.814 0.762 -2.925 1.00 0.00 C ATOM 402 O VAL A 26 -7.952 1.830 -2.330 1.00 0.00 O ATOM 403 CB VAL A 26 -7.957 -1.421 -1.612 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.609 -0.743 -0.286 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.797 -2.679 -1.381 1.00 0.00 C ATOM 0 H VAL A 26 -8.713 -2.090 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.544 -0.079 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.024 -1.724 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.102 -1.455 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.953 0.107 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.523 -0.397 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.266 -3.352 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.753 -2.402 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.971 -3.180 -2.333 1.00 0.00 H new ATOM 415 N LYS A 27 -6.947 0.556 -3.905 1.00 0.00 N ATOM 416 CA LYS A 27 -6.067 1.618 -4.363 1.00 0.00 C ATOM 417 C LYS A 27 -6.905 2.732 -4.994 1.00 0.00 C ATOM 418 O LYS A 27 -6.646 3.913 -4.769 1.00 0.00 O ATOM 419 CB LYS A 27 -4.988 1.058 -5.292 1.00 0.00 C ATOM 420 CG LYS A 27 -3.689 0.794 -4.527 1.00 0.00 C ATOM 421 CD LYS A 27 -3.245 -0.661 -4.688 1.00 0.00 C ATOM 422 CE LYS A 27 -1.784 -0.741 -5.138 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.204 -2.057 -4.786 1.00 0.00 N ATOM 0 H LYS A 27 -6.835 -0.331 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.532 2.058 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.340 0.133 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.800 1.762 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.906 1.459 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.833 1.020 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.368 -1.189 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.882 -1.161 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.720 -0.585 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.208 0.055 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.181 -1.955 -4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.654 -2.414 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.369 -2.728 -5.563 1.00 0.00 H new ATOM 437 N ALA A 28 -7.893 2.315 -5.773 1.00 0.00 N ATOM 438 CA ALA A 28 -8.771 3.263 -6.439 1.00 0.00 C ATOM 439 C ALA A 28 -9.490 4.111 -5.388 1.00 0.00 C ATOM 440 O ALA A 28 -9.683 5.310 -5.579 1.00 0.00 O ATOM 441 CB ALA A 28 -9.746 2.506 -7.345 1.00 0.00 C ATOM 0 H ALA A 28 -8.105 1.334 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.196 3.940 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.405 3.216 -7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.186 1.943 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.342 1.819 -6.744 1.00 0.00 H new ATOM 447 N LYS A 29 -9.868 3.454 -4.301 1.00 0.00 N ATOM 448 CA LYS A 29 -10.562 4.132 -3.219 1.00 0.00 C ATOM 449 C LYS A 29 -9.636 5.186 -2.608 1.00 0.00 C ATOM 450 O LYS A 29 -10.041 6.330 -2.405 1.00 0.00 O ATOM 451 CB LYS A 29 -11.095 3.119 -2.205 1.00 0.00 C ATOM 452 CG LYS A 29 -12.584 2.849 -2.430 1.00 0.00 C ATOM 453 CD LYS A 29 -13.145 1.932 -1.342 1.00 0.00 C ATOM 454 CE LYS A 29 -14.530 2.401 -0.891 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.535 2.138 -1.946 1.00 0.00 N ATOM 0 H LYS A 29 -9.707 2.459 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.438 4.657 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.536 2.187 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.939 3.495 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.132 3.791 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.730 2.391 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.207 0.911 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.467 1.916 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.814 1.886 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.503 3.467 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.469 2.462 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.271 2.649 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.572 1.118 -2.144 1.00 0.00 H new ATOM 469 N ILE A 30 -8.411 4.763 -2.331 1.00 0.00 N ATOM 470 CA ILE A 30 -7.426 5.656 -1.747 1.00 0.00 C ATOM 471 C ILE A 30 -7.118 6.785 -2.733 1.00 0.00 C ATOM 472 O ILE A 30 -6.835 7.911 -2.326 1.00 0.00 O ATOM 473 CB ILE A 30 -6.189 4.872 -1.304 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.565 3.765 -0.317 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.121 5.809 -0.734 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.511 2.657 -0.308 1.00 0.00 C ATOM 0 H ILE A 30 -8.079 3.814 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.821 6.121 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.759 4.389 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.665 4.184 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.535 3.347 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.252 5.227 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.824 6.529 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.525 6.340 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.803 1.883 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.430 2.223 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.547 3.074 -0.015 1.00 0.00 H new ATOM 488 N GLN A 31 -7.183 6.444 -4.011 1.00 0.00 N ATOM 489 CA GLN A 31 -6.914 7.414 -5.059 1.00 0.00 C ATOM 490 C GLN A 31 -7.976 8.515 -5.048 1.00 0.00 C ATOM 491 O GLN A 31 -7.649 9.697 -4.951 1.00 0.00 O ATOM 492 CB GLN A 31 -6.841 6.737 -6.429 1.00 0.00 C ATOM 493 CG GLN A 31 -6.775 7.774 -7.552 1.00 0.00 C ATOM 494 CD GLN A 31 -6.536 7.103 -8.905 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.060 6.042 -9.202 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.718 7.779 -9.708 1.00 0.00 N ATOM 0 H GLN A 31 -7.418 5.509 -4.345 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.943 7.870 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.963 6.092 -6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.713 6.099 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.705 8.341 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.974 8.485 -7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.313 8.662 -9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.496 7.414 -10.634 1.00 0.00 H new ATOM 505 N ASP A 32 -9.226 8.088 -5.148 1.00 0.00 N ATOM 506 CA ASP A 32 -10.339 9.023 -5.150 1.00 0.00 C ATOM 507 C ASP A 32 -10.319 9.835 -3.853 1.00 0.00 C ATOM 508 O ASP A 32 -10.748 10.988 -3.832 1.00 0.00 O ATOM 509 CB ASP A 32 -11.678 8.286 -5.228 1.00 0.00 C ATOM 510 CG ASP A 32 -12.660 8.838 -6.262 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.983 10.041 -6.154 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.067 8.045 -7.139 1.00 0.00 O ATOM 0 H ASP A 32 -9.493 7.107 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.234 9.671 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.486 7.237 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.151 8.318 -4.246 1.00 0.00 H new ATOM 517 N LYS A 33 -9.821 9.200 -2.803 1.00 0.00 N ATOM 518 CA LYS A 33 -9.740 9.849 -1.505 1.00 0.00 C ATOM 519 C LYS A 33 -8.582 10.848 -1.509 1.00 0.00 C ATOM 520 O LYS A 33 -8.799 12.057 -1.577 1.00 0.00 O ATOM 521 CB LYS A 33 -9.649 8.806 -0.390 1.00 0.00 C ATOM 522 CG LYS A 33 -10.697 9.067 0.694 1.00 0.00 C ATOM 523 CD LYS A 33 -10.079 8.965 2.090 1.00 0.00 C ATOM 524 CE LYS A 33 -9.652 10.341 2.604 1.00 0.00 C ATOM 525 NZ LYS A 33 -9.968 10.478 4.043 1.00 0.00 N ATOM 0 H LYS A 33 -9.469 8.243 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.649 10.417 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.793 7.809 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.652 8.826 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.130 10.058 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.511 8.348 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.799 8.523 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.216 8.300 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.582 10.479 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.161 11.121 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.672 11.418 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.992 10.367 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.463 9.745 4.581 1.00 0.00 H new ATOM 539 N GLU A 34 -7.375 10.306 -1.437 1.00 0.00 N ATOM 540 CA GLU A 34 -6.181 11.135 -1.432 1.00 0.00 C ATOM 541 C GLU A 34 -6.052 11.888 -2.757 1.00 0.00 C ATOM 542 O GLU A 34 -6.068 13.117 -2.781 1.00 0.00 O ATOM 543 CB GLU A 34 -4.932 10.296 -1.154 1.00 0.00 C ATOM 544 CG GLU A 34 -4.680 10.170 0.350 1.00 0.00 C ATOM 545 CD GLU A 34 -3.228 10.514 0.692 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.913 11.724 0.684 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.466 9.558 0.955 1.00 0.00 O ATOM 0 H GLU A 34 -7.198 9.303 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.273 11.866 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.051 9.304 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.067 10.754 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.353 10.835 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.904 9.154 0.676 1.00 0.00 H new ATOM 554 N GLY A 35 -5.927 11.119 -3.829 1.00 0.00 N ATOM 555 CA GLY A 35 -5.796 11.697 -5.155 1.00 0.00 C ATOM 556 C GLY A 35 -4.584 11.118 -5.888 1.00 0.00 C ATOM 557 O GLY A 35 -4.334 11.455 -7.044 1.00 0.00 O ATOM 0 H GLY A 35 -5.914 10.099 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.701 11.503 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.695 12.779 -5.075 1.00 0.00 H new ATOM 561 N ILE A 36 -3.863 10.257 -5.186 1.00 0.00 N ATOM 562 CA ILE A 36 -2.684 9.627 -5.755 1.00 0.00 C ATOM 563 C ILE A 36 -3.116 8.484 -6.676 1.00 0.00 C ATOM 564 O ILE A 36 -4.086 7.785 -6.390 1.00 0.00 O ATOM 565 CB ILE A 36 -1.721 9.195 -4.648 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.190 10.406 -3.879 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.589 8.333 -5.212 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.859 10.035 -2.432 1.00 0.00 C ATOM 0 H ILE A 36 -4.073 9.980 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.130 10.338 -6.368 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.272 8.579 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.298 10.792 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.932 11.204 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.082 8.039 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.008 7.441 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.033 8.904 -5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.484 10.914 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.759 9.672 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.099 9.254 -2.421 1.00 0.00 H new ATOM 580 N PRO A 37 -2.355 8.327 -7.792 1.00 0.00 N ATOM 581 CA PRO A 37 -2.648 7.281 -8.757 1.00 0.00 C ATOM 582 C PRO A 37 -2.219 5.911 -8.228 1.00 0.00 C ATOM 583 O PRO A 37 -1.326 5.818 -7.387 1.00 0.00 O ATOM 584 CB PRO A 37 -1.906 7.690 -10.019 1.00 0.00 C ATOM 585 CG PRO A 37 -0.856 8.696 -9.577 1.00 0.00 C ATOM 586 CD PRO A 37 -1.198 9.137 -8.162 1.00 0.00 C ATOM 0 HA PRO A 37 -3.715 7.178 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.443 6.827 -10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.587 8.131 -10.747 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.138 8.249 -9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.841 9.553 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.363 8.969 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.431 10.201 -8.124 1.00 0.00 H new ATOM 594 N PRO A 38 -2.892 4.854 -8.757 1.00 0.00 N ATOM 595 CA PRO A 38 -2.589 3.493 -8.347 1.00 0.00 C ATOM 596 C PRO A 38 -1.276 3.012 -8.969 1.00 0.00 C ATOM 597 O PRO A 38 -0.632 2.105 -8.445 1.00 0.00 O ATOM 598 CB PRO A 38 -3.791 2.674 -8.789 1.00 0.00 C ATOM 599 CG PRO A 38 -4.507 3.512 -9.834 1.00 0.00 C ATOM 600 CD PRO A 38 -3.955 4.926 -9.755 1.00 0.00 C ATOM 0 HA PRO A 38 -2.434 3.401 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.479 1.716 -9.204 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.447 2.458 -7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.351 3.096 -10.829 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.582 3.511 -9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.570 5.255 -10.720 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.727 5.637 -9.460 1.00 0.00 H new ATOM 608 N ASP A 39 -0.919 3.642 -10.079 1.00 0.00 N ATOM 609 CA ASP A 39 0.306 3.290 -10.777 1.00 0.00 C ATOM 610 C ASP A 39 1.509 3.697 -9.925 1.00 0.00 C ATOM 611 O ASP A 39 2.549 3.042 -9.961 1.00 0.00 O ATOM 612 CB ASP A 39 0.405 4.023 -12.117 1.00 0.00 C ATOM 613 CG ASP A 39 -0.773 3.796 -13.067 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.261 2.646 -13.102 1.00 0.00 O ATOM 615 OD2 ASP A 39 -1.158 4.779 -13.737 1.00 0.00 O ATOM 0 H ASP A 39 -1.456 4.393 -10.512 1.00 0.00 H new ATOM 0 HA ASP A 39 0.297 2.214 -10.953 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.495 5.092 -11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.322 3.711 -12.618 1.00 0.00 H new ATOM 620 N GLN A 40 1.327 4.777 -9.179 1.00 0.00 N ATOM 621 CA GLN A 40 2.386 5.279 -8.320 1.00 0.00 C ATOM 622 C GLN A 40 2.159 4.822 -6.876 1.00 0.00 C ATOM 623 O GLN A 40 2.790 5.335 -5.953 1.00 0.00 O ATOM 624 CB GLN A 40 2.483 6.803 -8.403 1.00 0.00 C ATOM 625 CG GLN A 40 3.395 7.233 -9.553 1.00 0.00 C ATOM 626 CD GLN A 40 2.696 7.057 -10.903 1.00 0.00 C ATOM 627 OE1 GLN A 40 1.541 7.408 -11.084 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.456 6.494 -11.838 1.00 0.00 N ATOM 0 H GLN A 40 0.463 5.318 -9.152 1.00 0.00 H new ATOM 0 HA GLN A 40 3.334 4.868 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.489 7.227 -8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.867 7.198 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.684 8.276 -9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.312 6.644 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.415 6.224 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.080 6.333 -12.772 1.00 0.00 H new ATOM 637 N GLN A 41 1.259 3.862 -6.729 1.00 0.00 N ATOM 638 CA GLN A 41 0.941 3.331 -5.414 1.00 0.00 C ATOM 639 C GLN A 41 1.794 2.095 -5.121 1.00 0.00 C ATOM 640 O GLN A 41 1.937 1.219 -5.974 1.00 0.00 O ATOM 641 CB GLN A 41 -0.550 3.008 -5.299 1.00 0.00 C ATOM 642 CG GLN A 41 -1.318 4.179 -4.683 1.00 0.00 C ATOM 643 CD GLN A 41 -2.790 3.817 -4.470 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.163 3.165 -3.509 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.603 4.276 -5.417 1.00 0.00 N ATOM 0 H GLN A 41 0.740 3.438 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 41 1.172 4.093 -4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.954 2.782 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.687 2.116 -4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.866 4.454 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.244 5.050 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.225 4.816 -6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.604 4.088 -5.365 1.00 0.00 H new ATOM 654 N ARG A 42 2.339 2.063 -3.915 1.00 0.00 N ATOM 655 CA ARG A 42 3.174 0.948 -3.498 1.00 0.00 C ATOM 656 C ARG A 42 2.776 0.481 -2.098 1.00 0.00 C ATOM 657 O ARG A 42 3.261 1.012 -1.100 1.00 0.00 O ATOM 658 CB ARG A 42 4.653 1.340 -3.496 1.00 0.00 C ATOM 659 CG ARG A 42 5.547 0.103 -3.394 1.00 0.00 C ATOM 660 CD ARG A 42 6.953 0.397 -3.920 1.00 0.00 C ATOM 661 NE ARG A 42 7.166 -0.289 -5.213 1.00 0.00 N ATOM 662 CZ ARG A 42 7.377 -1.606 -5.339 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.408 -2.386 -4.250 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.560 -2.143 -6.553 1.00 0.00 N ATOM 0 H ARG A 42 2.219 2.792 -3.211 1.00 0.00 H new ATOM 0 HA ARG A 42 3.025 0.137 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.889 1.889 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.855 2.009 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.604 -0.224 -2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.106 -0.716 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.086 1.472 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.697 0.065 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 42 7.151 0.276 -6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.271 -1.977 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.569 -3.389 -4.345 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.539 -1.549 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.721 -3.146 -6.648 1.00 0.00 H new ATOM 678 N LEU A 43 1.895 -0.510 -2.067 1.00 0.00 N ATOM 679 CA LEU A 43 1.426 -1.056 -0.805 1.00 0.00 C ATOM 680 C LEU A 43 2.230 -2.312 -0.468 1.00 0.00 C ATOM 681 O LEU A 43 2.224 -3.280 -1.227 1.00 0.00 O ATOM 682 CB LEU A 43 -0.086 -1.286 -0.849 1.00 0.00 C ATOM 683 CG LEU A 43 -0.900 -0.249 -1.625 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.397 -0.413 -1.356 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.415 1.170 -1.316 1.00 0.00 C ATOM 0 H LEU A 43 1.494 -0.948 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 43 1.593 -0.344 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.272 -2.267 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.458 -1.319 0.175 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.744 -0.420 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.952 0.337 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.715 -1.409 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.592 -0.284 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.010 1.889 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.523 1.367 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.633 1.266 -1.598 1.00 0.00 H new ATOM 697 N ILE A 44 2.904 -2.257 0.672 1.00 0.00 N ATOM 698 CA ILE A 44 3.711 -3.379 1.119 1.00 0.00 C ATOM 699 C ILE A 44 3.020 -4.059 2.302 1.00 0.00 C ATOM 700 O ILE A 44 2.447 -3.390 3.160 1.00 0.00 O ATOM 701 CB ILE A 44 5.141 -2.924 1.420 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.649 -1.963 0.345 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.071 -4.125 1.602 1.00 0.00 C ATOM 704 CD1 ILE A 44 5.415 -2.535 -1.055 1.00 0.00 C ATOM 0 H ILE A 44 2.907 -1.453 1.299 1.00 0.00 H new ATOM 0 HA ILE A 44 3.798 -4.125 0.329 1.00 0.00 H new ATOM 0 HB ILE A 44 5.134 -2.376 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.140 -1.004 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.713 -1.776 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.081 -3.774 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.717 -4.737 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.079 -4.721 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.785 -1.832 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.945 -3.482 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.348 -2.698 -1.208 1.00 0.00 H new ATOM 716 N PHE A 45 3.097 -5.383 2.310 1.00 0.00 N ATOM 717 CA PHE A 45 2.485 -6.161 3.374 1.00 0.00 C ATOM 718 C PHE A 45 3.243 -7.471 3.599 1.00 0.00 C ATOM 719 O PHE A 45 3.270 -8.335 2.724 1.00 0.00 O ATOM 720 CB PHE A 45 1.057 -6.483 2.929 1.00 0.00 C ATOM 721 CG PHE A 45 0.070 -6.659 4.084 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.342 -7.541 5.083 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.080 -5.932 4.113 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.574 -7.704 6.156 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.996 -6.095 5.186 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.724 -6.977 6.184 1.00 0.00 C ATOM 0 H PHE A 45 3.573 -5.935 1.597 1.00 0.00 H new ATOM 0 HA PHE A 45 2.503 -5.596 4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.701 -5.684 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.070 -7.396 2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.255 -8.118 5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.296 -5.231 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.358 -8.404 6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.909 -5.518 5.209 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.421 -7.101 7.000 1.00 0.00 H new ATOM 736 N ALA A 46 3.840 -7.576 4.778 1.00 0.00 N ATOM 737 CA ALA A 46 4.596 -8.765 5.130 1.00 0.00 C ATOM 738 C ALA A 46 5.673 -9.013 4.071 1.00 0.00 C ATOM 739 O ALA A 46 5.887 -10.149 3.652 1.00 0.00 O ATOM 740 CB ALA A 46 3.641 -9.953 5.279 1.00 0.00 C ATOM 0 H ALA A 46 3.815 -6.857 5.501 1.00 0.00 H new ATOM 0 HA ALA A 46 5.100 -8.629 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.209 -10.845 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.915 -9.740 6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.119 -10.121 4.337 1.00 0.00 H new ATOM 746 N GLY A 47 6.322 -7.930 3.669 1.00 0.00 N ATOM 747 CA GLY A 47 7.370 -8.014 2.668 1.00 0.00 C ATOM 748 C GLY A 47 6.803 -8.452 1.316 1.00 0.00 C ATOM 749 O GLY A 47 7.556 -8.746 0.389 1.00 0.00 O ATOM 0 H GLY A 47 6.141 -6.989 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.858 -7.045 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.133 -8.722 2.993 1.00 0.00 H new ATOM 753 N LYS A 48 5.480 -8.482 1.247 1.00 0.00 N ATOM 754 CA LYS A 48 4.804 -8.879 0.024 1.00 0.00 C ATOM 755 C LYS A 48 4.123 -7.658 -0.597 1.00 0.00 C ATOM 756 O LYS A 48 3.311 -6.999 0.052 1.00 0.00 O ATOM 757 CB LYS A 48 3.850 -10.045 0.293 1.00 0.00 C ATOM 758 CG LYS A 48 4.006 -11.136 -0.767 1.00 0.00 C ATOM 759 CD LYS A 48 3.219 -12.391 -0.381 1.00 0.00 C ATOM 760 CE LYS A 48 2.872 -13.223 -1.617 1.00 0.00 C ATOM 761 NZ LYS A 48 3.009 -14.667 -1.325 1.00 0.00 N ATOM 0 H LYS A 48 4.859 -8.238 2.018 1.00 0.00 H new ATOM 0 HA LYS A 48 5.524 -9.248 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.048 -10.461 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.822 -9.684 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.656 -10.765 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.060 -11.385 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.805 -12.993 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.304 -12.105 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.852 -13.005 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.528 -12.949 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.770 -15.217 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.989 -14.873 -1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.365 -14.927 -0.551 1.00 0.00 H new ATOM 775 N GLN A 49 4.477 -7.394 -1.846 1.00 0.00 N ATOM 776 CA GLN A 49 3.910 -6.263 -2.561 1.00 0.00 C ATOM 777 C GLN A 49 2.508 -6.606 -3.071 1.00 0.00 C ATOM 778 O GLN A 49 2.307 -7.653 -3.685 1.00 0.00 O ATOM 779 CB GLN A 49 4.821 -5.828 -3.711 1.00 0.00 C ATOM 780 CG GLN A 49 5.106 -6.997 -4.655 1.00 0.00 C ATOM 781 CD GLN A 49 5.645 -6.498 -5.998 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.928 -5.953 -6.821 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.946 -6.713 -6.171 1.00 0.00 N ATOM 0 H GLN A 49 5.149 -7.944 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 49 3.829 -5.425 -1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.351 -5.015 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.758 -5.442 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.829 -7.671 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.193 -7.570 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.488 -7.175 -5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.402 -6.416 -7.034 1.00 0.00 H new ATOM 792 N LEU A 50 1.577 -5.705 -2.798 1.00 0.00 N ATOM 793 CA LEU A 50 0.200 -5.900 -3.222 1.00 0.00 C ATOM 794 C LEU A 50 0.094 -5.641 -4.726 1.00 0.00 C ATOM 795 O LEU A 50 0.276 -4.513 -5.180 1.00 0.00 O ATOM 796 CB LEU A 50 -0.745 -5.040 -2.381 1.00 0.00 C ATOM 797 CG LEU A 50 -0.508 -5.063 -0.870 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.499 -4.148 -0.146 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.549 -6.494 -0.330 1.00 0.00 C ATOM 0 H LEU A 50 1.748 -4.838 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.110 -6.931 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.668 -4.009 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.768 -5.365 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 50 0.491 -4.674 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.309 -4.182 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.378 -3.125 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.517 -4.484 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.378 -6.482 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.525 -6.933 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.226 -7.088 -0.814 1.00 0.00 H new ATOM 811 N GLU A 51 -0.202 -6.705 -5.457 1.00 0.00 N ATOM 812 CA GLU A 51 -0.335 -6.609 -6.901 1.00 0.00 C ATOM 813 C GLU A 51 -1.778 -6.264 -7.279 1.00 0.00 C ATOM 814 O GLU A 51 -2.688 -7.062 -7.061 1.00 0.00 O ATOM 815 CB GLU A 51 0.116 -7.902 -7.582 1.00 0.00 C ATOM 816 CG GLU A 51 1.461 -8.374 -7.028 1.00 0.00 C ATOM 817 CD GLU A 51 1.330 -9.747 -6.365 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.298 -9.956 -5.692 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.266 -10.556 -6.545 1.00 0.00 O ATOM 0 H GLU A 51 -0.354 -7.639 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 51 0.314 -5.808 -7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.635 -8.677 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.198 -7.741 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.193 -8.424 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.834 -7.650 -6.303 1.00 0.00 H new ATOM 826 N ASP A 52 -1.941 -5.074 -7.837 1.00 0.00 N ATOM 827 CA ASP A 52 -3.256 -4.613 -8.248 1.00 0.00 C ATOM 828 C ASP A 52 -3.960 -5.725 -9.027 1.00 0.00 C ATOM 829 O ASP A 52 -3.634 -5.978 -10.185 1.00 0.00 O ATOM 830 CB ASP A 52 -3.152 -3.389 -9.159 1.00 0.00 C ATOM 831 CG ASP A 52 -2.219 -3.555 -10.361 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.003 -3.345 -10.167 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.744 -3.887 -11.445 1.00 0.00 O ATOM 0 H ASP A 52 -1.183 -4.414 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.815 -4.347 -7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.149 -3.140 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.809 -2.541 -8.566 1.00 0.00 H new ATOM 838 N GLY A 53 -4.914 -6.359 -8.361 1.00 0.00 N ATOM 839 CA GLY A 53 -5.668 -7.437 -8.977 1.00 0.00 C ATOM 840 C GLY A 53 -5.957 -8.550 -7.967 1.00 0.00 C ATOM 841 O GLY A 53 -6.787 -9.422 -8.220 1.00 0.00 O ATOM 0 H GLY A 53 -5.182 -6.146 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.606 -7.049 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.108 -7.842 -9.820 1.00 0.00 H new ATOM 845 N ARG A 54 -5.257 -8.484 -6.844 1.00 0.00 N ATOM 846 CA ARG A 54 -5.429 -9.475 -5.796 1.00 0.00 C ATOM 847 C ARG A 54 -6.397 -8.958 -4.731 1.00 0.00 C ATOM 848 O ARG A 54 -6.552 -7.750 -4.560 1.00 0.00 O ATOM 849 CB ARG A 54 -4.091 -9.816 -5.136 1.00 0.00 C ATOM 850 CG ARG A 54 -3.364 -10.919 -5.908 1.00 0.00 C ATOM 851 CD ARG A 54 -2.813 -10.390 -7.232 1.00 0.00 C ATOM 852 NE ARG A 54 -1.420 -10.852 -7.422 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.778 -10.840 -8.598 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.399 -10.390 -9.696 1.00 0.00 N ATOM 855 NH2 ARG A 54 0.487 -11.279 -8.676 1.00 0.00 N ATOM 0 H ARG A 54 -4.570 -7.759 -6.637 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.835 -10.376 -6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.465 -8.925 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.260 -10.137 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.548 -11.314 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.048 -11.745 -6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.435 -10.735 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.848 -9.301 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.917 -11.202 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.361 -10.056 -9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.910 -10.381 -10.591 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.960 -11.622 -7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.976 -11.270 -9.571 1.00 0.00 H new ATOM 869 N THR A 55 -7.027 -9.900 -4.042 1.00 0.00 N ATOM 870 CA THR A 55 -7.977 -9.554 -2.998 1.00 0.00 C ATOM 871 C THR A 55 -7.302 -9.604 -1.626 1.00 0.00 C ATOM 872 O THR A 55 -6.436 -10.444 -1.385 1.00 0.00 O ATOM 873 CB THR A 55 -9.176 -10.497 -3.120 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.593 -11.765 -3.406 1.00 0.00 O ATOM 875 CG2 THR A 55 -10.034 -10.195 -4.351 1.00 0.00 C ATOM 0 H THR A 55 -6.898 -10.901 -4.187 1.00 0.00 H new ATOM 0 HA THR A 55 -8.336 -8.531 -3.112 1.00 0.00 H new ATOM 0 HB THR A 55 -9.789 -10.423 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.300 -12.437 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.871 -10.892 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.414 -9.175 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.429 -10.302 -5.251 1.00 0.00 H new ATOM 883 N LEU A 56 -7.724 -8.694 -0.761 1.00 0.00 N ATOM 884 CA LEU A 56 -7.173 -8.623 0.582 1.00 0.00 C ATOM 885 C LEU A 56 -7.328 -9.983 1.264 1.00 0.00 C ATOM 886 O LEU A 56 -6.469 -10.392 2.045 1.00 0.00 O ATOM 887 CB LEU A 56 -7.805 -7.468 1.361 1.00 0.00 C ATOM 888 CG LEU A 56 -7.718 -6.088 0.704 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.836 -5.172 1.204 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.334 -5.470 0.909 1.00 0.00 C ATOM 0 H LEU A 56 -8.442 -7.999 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.106 -8.404 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.856 -7.702 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.329 -7.413 2.340 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.859 -6.211 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.751 -4.198 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.803 -5.613 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.751 -5.051 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.299 -4.490 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.138 -5.362 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.577 -6.117 0.465 1.00 0.00 H new ATOM 902 N SER A 57 -8.430 -10.647 0.945 1.00 0.00 N ATOM 903 CA SER A 57 -8.708 -11.953 1.519 1.00 0.00 C ATOM 904 C SER A 57 -7.634 -12.954 1.089 1.00 0.00 C ATOM 905 O SER A 57 -7.182 -13.768 1.892 1.00 0.00 O ATOM 906 CB SER A 57 -10.094 -12.452 1.104 1.00 0.00 C ATOM 907 OG SER A 57 -10.368 -13.754 1.615 1.00 0.00 O ATOM 0 H SER A 57 -9.140 -10.305 0.297 1.00 0.00 H new ATOM 0 HA SER A 57 -8.694 -11.859 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.852 -11.755 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.163 -12.468 0.016 1.00 0.00 H new ATOM 0 HG SER A 57 -11.262 -14.036 1.330 1.00 0.00 H new ATOM 913 N ASP A 58 -7.255 -12.859 -0.177 1.00 0.00 N ATOM 914 CA ASP A 58 -6.241 -13.745 -0.723 1.00 0.00 C ATOM 915 C ASP A 58 -4.910 -13.490 -0.013 1.00 0.00 C ATOM 916 O ASP A 58 -3.995 -14.308 -0.090 1.00 0.00 O ATOM 917 CB ASP A 58 -6.036 -13.493 -2.218 1.00 0.00 C ATOM 918 CG ASP A 58 -6.251 -14.713 -3.116 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.266 -15.408 -2.894 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.397 -14.921 -4.004 1.00 0.00 O ATOM 0 H ASP A 58 -7.632 -12.182 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.575 -14.772 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.717 -12.703 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.023 -13.121 -2.373 1.00 0.00 H new ATOM 925 N TYR A 59 -4.845 -12.352 0.663 1.00 0.00 N ATOM 926 CA TYR A 59 -3.641 -11.979 1.386 1.00 0.00 C ATOM 927 C TYR A 59 -3.779 -12.288 2.878 1.00 0.00 C ATOM 928 O TYR A 59 -2.787 -12.317 3.604 1.00 0.00 O ATOM 929 CB TYR A 59 -3.490 -10.467 1.202 1.00 0.00 C ATOM 930 CG TYR A 59 -2.743 -10.066 -0.071 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.502 -10.608 -0.343 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.307 -9.163 -0.947 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.799 -10.232 -1.541 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.603 -8.786 -2.146 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.384 -9.339 -2.384 1.00 0.00 C ATOM 936 OH TYR A 59 -0.720 -8.982 -3.515 1.00 0.00 O ATOM 0 H TYR A 59 -5.607 -11.676 0.725 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.781 -12.534 1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.481 -10.012 1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.964 -10.057 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.059 -11.314 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.277 -8.738 -0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.171 -10.649 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.034 -8.080 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.621 -9.764 -4.097 1.00 0.00 H new ATOM 946 N ASN A 60 -5.018 -12.513 3.290 1.00 0.00 N ATOM 947 CA ASN A 60 -5.299 -12.819 4.682 1.00 0.00 C ATOM 948 C ASN A 60 -4.951 -11.606 5.547 1.00 0.00 C ATOM 949 O ASN A 60 -4.047 -11.670 6.377 1.00 0.00 O ATOM 950 CB ASN A 60 -4.458 -14.001 5.166 1.00 0.00 C ATOM 951 CG ASN A 60 -4.896 -14.451 6.562 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.778 -13.876 7.179 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.232 -15.507 7.024 1.00 0.00 N ATOM 0 H ASN A 60 -5.838 -12.489 2.684 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.356 -13.070 4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.554 -14.831 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.405 -13.719 5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.450 -15.883 7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.505 -15.941 6.455 1.00 0.00 H new ATOM 960 N ILE A 61 -5.689 -10.528 5.323 1.00 0.00 N ATOM 961 CA ILE A 61 -5.471 -9.302 6.071 1.00 0.00 C ATOM 962 C ILE A 61 -6.322 -9.326 7.342 1.00 0.00 C ATOM 963 O ILE A 61 -7.468 -9.772 7.318 1.00 0.00 O ATOM 964 CB ILE A 61 -5.724 -8.081 5.185 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.486 -7.743 4.350 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.197 -6.888 6.018 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.541 -8.431 2.985 1.00 0.00 C ATOM 0 H ILE A 61 -6.439 -10.479 4.633 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.430 -9.229 6.385 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.526 -8.325 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.418 -6.664 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.588 -8.055 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.370 -6.033 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.124 -7.146 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.435 -6.633 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.650 -8.174 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.585 -9.511 3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.428 -8.098 2.445 1.00 0.00 H new ATOM 979 N GLN A 62 -5.728 -8.843 8.424 1.00 0.00 N ATOM 980 CA GLN A 62 -6.417 -8.804 9.701 1.00 0.00 C ATOM 981 C GLN A 62 -7.049 -7.427 9.923 1.00 0.00 C ATOM 982 O GLN A 62 -6.610 -6.438 9.337 1.00 0.00 O ATOM 983 CB GLN A 62 -5.470 -9.162 10.848 1.00 0.00 C ATOM 984 CG GLN A 62 -4.646 -10.405 10.508 1.00 0.00 C ATOM 985 CD GLN A 62 -5.239 -11.653 11.166 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.362 -11.659 11.643 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.426 -12.705 11.163 1.00 0.00 N ATOM 0 H GLN A 62 -4.777 -8.475 8.441 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.212 -9.549 9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.804 -8.323 11.050 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.044 -9.339 11.757 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.614 -10.540 9.427 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.618 -10.267 10.843 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.498 -12.631 10.746 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.730 -13.586 11.577 1.00 0.00 H new ATOM 996 N LYS A 63 -8.068 -7.407 10.768 1.00 0.00 N ATOM 997 CA LYS A 63 -8.764 -6.168 11.073 1.00 0.00 C ATOM 998 C LYS A 63 -7.743 -5.100 11.471 1.00 0.00 C ATOM 999 O LYS A 63 -6.883 -5.342 12.317 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.846 -6.408 12.128 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.276 -7.146 13.340 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.239 -8.232 13.824 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.743 -8.867 15.124 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.932 -10.334 15.089 1.00 0.00 N ATOM 0 H LYS A 63 -8.429 -8.229 11.252 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.287 -5.797 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.268 -5.454 12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.660 -6.989 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.318 -7.595 13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.087 -6.437 14.146 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.228 -7.802 13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.342 -8.999 13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.688 -8.634 15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.283 -8.445 15.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.590 -10.749 15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.942 -10.551 14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.397 -10.734 14.292 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.872 -3.942 10.841 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.971 -2.835 11.118 1.00 0.00 C ATOM 1020 C GLU A 64 -5.518 -3.276 10.939 1.00 0.00 C ATOM 1021 O GLU A 64 -4.702 -3.121 11.847 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.205 -2.276 12.524 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.656 -1.820 12.697 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.457 -2.836 13.515 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.038 -3.095 14.663 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.469 -3.328 12.972 1.00 0.00 O ATOM 0 H GLU A 64 -8.586 -3.746 10.140 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.178 -2.036 10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.968 -3.038 13.267 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.532 -1.437 12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.679 -0.850 13.193 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.119 -1.689 11.719 1.00 0.00 H new ATOM 1033 N SER A 65 -5.237 -3.817 9.763 1.00 0.00 N ATOM 1034 CA SER A 65 -3.896 -4.283 9.453 1.00 0.00 C ATOM 1035 C SER A 65 -2.966 -3.088 9.232 1.00 0.00 C ATOM 1036 O SER A 65 -3.424 -1.950 9.132 1.00 0.00 O ATOM 1037 CB SER A 65 -3.898 -5.189 8.221 1.00 0.00 C ATOM 1038 OG SER A 65 -4.197 -6.542 8.554 1.00 0.00 O ATOM 0 H SER A 65 -5.916 -3.943 9.012 1.00 0.00 H new ATOM 0 HA SER A 65 -3.533 -4.867 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.631 -4.822 7.502 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.924 -5.142 7.735 1.00 0.00 H new ATOM 0 HG SER A 65 -4.951 -6.566 9.180 1.00 0.00 H new ATOM 1044 N THR A 66 -1.677 -3.387 9.161 1.00 0.00 N ATOM 1045 CA THR A 66 -0.679 -2.351 8.954 1.00 0.00 C ATOM 1046 C THR A 66 -0.120 -2.427 7.531 1.00 0.00 C ATOM 1047 O THR A 66 0.700 -3.292 7.228 1.00 0.00 O ATOM 1048 CB THR A 66 0.392 -2.503 10.035 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.211 -1.943 11.200 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.610 -1.613 9.782 1.00 0.00 C ATOM 0 H THR A 66 -1.301 -4.332 9.243 1.00 0.00 H new ATOM 0 HA THR A 66 -1.116 -1.357 9.047 1.00 0.00 H new ATOM 0 HB THR A 66 0.709 -3.545 10.089 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.414 -2.001 11.952 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.340 -1.760 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.060 -1.876 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.299 -0.568 9.762 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.587 -1.510 6.696 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.144 -1.463 5.314 1.00 0.00 C ATOM 1060 C LEU A 67 0.745 -0.235 5.109 1.00 0.00 C ATOM 1061 O LEU A 67 0.496 0.820 5.691 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.343 -1.518 4.365 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.136 -2.827 4.361 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.155 -2.854 5.502 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.792 -3.067 3.000 1.00 0.00 C ATOM 0 H LEU A 67 -1.268 -0.794 6.951 1.00 0.00 H new ATOM 0 HA LEU A 67 0.461 -2.338 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.022 -0.705 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.988 -1.328 3.352 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.440 -3.648 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.705 -3.795 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.636 -2.763 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.851 -2.023 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.349 -4.004 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.472 -2.246 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.023 -3.123 2.230 1.00 0.00 H new ATOM 1077 N HIS A 68 1.764 -0.412 4.280 1.00 0.00 N ATOM 1078 CA HIS A 68 2.691 0.668 3.992 1.00 0.00 C ATOM 1079 C HIS A 68 2.443 1.195 2.577 1.00 0.00 C ATOM 1080 O HIS A 68 2.799 0.543 1.597 1.00 0.00 O ATOM 1081 CB HIS A 68 4.137 0.217 4.212 1.00 0.00 C ATOM 1082 CG HIS A 68 4.942 1.140 5.094 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.166 2.470 4.781 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.573 0.913 6.282 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.900 3.008 5.742 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.152 2.042 6.672 1.00 0.00 N ATOM 0 H HIS A 68 1.967 -1.288 3.799 1.00 0.00 H new ATOM 0 HA HIS A 68 2.520 1.492 4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.132 -0.779 4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.632 0.133 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.597 -0.026 6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.240 4.032 5.783 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.696 2.167 7.526 1.00 0.00 H new ATOM 1094 N LEU A 69 1.833 2.370 2.517 1.00 0.00 N ATOM 1095 CA LEU A 69 1.532 2.991 1.238 1.00 0.00 C ATOM 1096 C LEU A 69 2.656 3.962 0.871 1.00 0.00 C ATOM 1097 O LEU A 69 2.657 5.110 1.310 1.00 0.00 O ATOM 1098 CB LEU A 69 0.146 3.638 1.269 1.00 0.00 C ATOM 1099 CG LEU A 69 -0.087 4.772 0.270 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.027 4.266 -1.170 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.427 5.465 0.528 1.00 0.00 C ATOM 0 H LEU A 69 1.539 2.908 3.332 1.00 0.00 H new ATOM 0 HA LEU A 69 1.489 2.239 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.599 2.863 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.031 4.023 2.273 1.00 0.00 H new ATOM 0 HG LEU A 69 0.694 5.518 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.143 5.092 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.023 3.855 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.718 3.490 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.567 6.267 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.236 4.741 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.434 5.881 1.536 1.00 0.00 H new ATOM 1113 N VAL A 70 3.586 3.464 0.069 1.00 0.00 N ATOM 1114 CA VAL A 70 4.713 4.274 -0.362 1.00 0.00 C ATOM 1115 C VAL A 70 4.626 4.497 -1.873 1.00 0.00 C ATOM 1116 O VAL A 70 3.773 3.917 -2.543 1.00 0.00 O ATOM 1117 CB VAL A 70 6.025 3.616 0.070 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.390 2.456 -0.861 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.158 4.642 0.136 1.00 0.00 C ATOM 0 H VAL A 70 3.582 2.511 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 70 4.684 5.254 0.114 1.00 0.00 H new ATOM 0 HB VAL A 70 5.882 3.210 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.326 2.006 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.599 1.707 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.505 2.829 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.079 4.148 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.300 5.091 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.904 5.419 0.857 1.00 0.00 H new ATOM 1129 N LEU A 71 5.521 5.341 -2.367 1.00 0.00 N ATOM 1130 CA LEU A 71 5.556 5.649 -3.786 1.00 0.00 C ATOM 1131 C LEU A 71 6.341 4.561 -4.521 1.00 0.00 C ATOM 1132 O LEU A 71 6.940 3.689 -3.891 1.00 0.00 O ATOM 1133 CB LEU A 71 6.101 7.061 -4.015 1.00 0.00 C ATOM 1134 CG LEU A 71 5.108 8.205 -3.803 1.00 0.00 C ATOM 1135 CD1 LEU A 71 3.928 8.093 -4.772 1.00 0.00 C ATOM 1136 CD2 LEU A 71 4.648 8.271 -2.346 1.00 0.00 C ATOM 0 H LEU A 71 6.227 5.821 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 71 4.548 5.650 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.949 7.214 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.482 7.121 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 71 5.618 9.143 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.237 8.918 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.294 8.134 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.412 7.147 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.943 9.093 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.163 7.333 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.510 8.434 -1.699 1.00 0.00 H new ATOM 1148 N ARG A 72 6.313 4.646 -5.843 1.00 0.00 N ATOM 1149 CA ARG A 72 7.015 3.679 -6.670 1.00 0.00 C ATOM 1150 C ARG A 72 8.489 4.064 -6.801 1.00 0.00 C ATOM 1151 O ARG A 72 8.884 5.164 -6.420 1.00 0.00 O ATOM 1152 CB ARG A 72 6.391 3.592 -8.065 1.00 0.00 C ATOM 1153 CG ARG A 72 6.437 2.159 -8.597 1.00 0.00 C ATOM 1154 CD ARG A 72 5.525 1.997 -9.815 1.00 0.00 C ATOM 1155 NE ARG A 72 4.878 0.666 -9.790 1.00 0.00 N ATOM 1156 CZ ARG A 72 4.212 0.135 -10.824 1.00 0.00 C ATOM 1157 NH1 ARG A 72 4.100 0.819 -11.971 1.00 0.00 N ATOM 1158 NH2 ARG A 72 3.657 -1.080 -10.711 1.00 0.00 N ATOM 0 H ARG A 72 5.815 5.369 -6.362 1.00 0.00 H new ATOM 0 HA ARG A 72 6.932 2.706 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.358 3.937 -8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.923 4.254 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.461 1.900 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.130 1.466 -7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.766 2.779 -9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.104 2.112 -10.731 1.00 0.00 H new ATOM 0 HE ARG A 72 4.943 0.119 -8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.522 1.744 -12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.593 0.415 -12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.742 -1.600 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.150 -1.484 -11.498 1.00 0.00 H new ATOM 1172 N LEU A 73 9.265 3.134 -7.341 1.00 0.00 N ATOM 1173 CA LEU A 73 10.688 3.363 -7.528 1.00 0.00 C ATOM 1174 C LEU A 73 10.904 4.210 -8.783 1.00 0.00 C ATOM 1175 O LEU A 73 11.459 5.305 -8.710 1.00 0.00 O ATOM 1176 CB LEU A 73 11.446 2.034 -7.544 1.00 0.00 C ATOM 1177 CG LEU A 73 12.393 1.788 -6.367 1.00 0.00 C ATOM 1178 CD1 LEU A 73 11.950 0.573 -5.551 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.840 1.659 -6.848 1.00 0.00 C ATOM 0 H LEU A 73 8.935 2.221 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 73 11.097 3.927 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.718 1.223 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.023 1.979 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 73 12.348 2.653 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.640 0.421 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.946 0.743 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.948 -0.312 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.493 1.485 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.919 0.822 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.139 2.578 -7.352 1.00 0.00 H new ATOM 1191 N ARG A 74 10.455 3.670 -9.907 1.00 0.00 N ATOM 1192 CA ARG A 74 10.593 4.362 -11.177 1.00 0.00 C ATOM 1193 C ARG A 74 9.366 5.237 -11.440 1.00 0.00 C ATOM 1194 O ARG A 74 8.646 5.599 -10.510 1.00 0.00 O ATOM 1195 CB ARG A 74 10.759 3.369 -12.330 1.00 0.00 C ATOM 1196 CG ARG A 74 11.981 3.720 -13.182 1.00 0.00 C ATOM 1197 CD ARG A 74 12.214 2.664 -14.265 1.00 0.00 C ATOM 1198 NE ARG A 74 13.461 1.917 -13.983 1.00 0.00 N ATOM 1199 CZ ARG A 74 14.054 1.089 -14.853 1.00 0.00 C ATOM 1200 NH1 ARG A 74 13.518 0.895 -16.065 1.00 0.00 N ATOM 1201 NH2 ARG A 74 15.183 0.452 -14.510 1.00 0.00 N ATOM 0 H ARG A 74 9.995 2.761 -9.964 1.00 0.00 H new ATOM 0 HA ARG A 74 11.484 4.987 -11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.865 2.359 -11.933 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.864 3.374 -12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 74 11.838 4.696 -13.645 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.863 3.795 -12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.369 1.977 -14.302 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.280 3.142 -15.243 1.00 0.00 H new ATOM 0 HE ARG A 74 13.896 2.041 -13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.658 1.378 -16.326 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.970 0.264 -16.727 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.590 0.598 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 74 15.634 -0.178 -15.173 1.00 0.00 H new ATOM 1215 N GLY A 75 9.165 5.551 -12.712 1.00 0.00 N ATOM 1216 CA GLY A 75 8.037 6.378 -13.109 1.00 0.00 C ATOM 1217 C GLY A 75 7.765 7.470 -12.072 1.00 0.00 C ATOM 1218 O GLY A 75 6.982 7.270 -11.146 1.00 0.00 O ATOM 0 H GLY A 75 9.763 5.248 -13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.239 6.834 -14.078 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.150 5.756 -13.229 1.00 0.00 H new ATOM 1222 N GLY A 76 8.430 8.600 -12.263 1.00 0.00 N ATOM 1223 CA GLY A 76 8.270 9.724 -11.356 1.00 0.00 C ATOM 1224 C GLY A 76 9.550 9.970 -10.556 1.00 0.00 C ATOM 1225 O GLY A 76 9.514 10.048 -9.328 1.00 0.00 O ATOM 0 H GLY A 76 9.080 8.761 -13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.013 10.619 -11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.442 9.530 -10.674 1.00 0.00 H new TER 1229 GLY A 76