USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= -0.485 (180deg=-1.13) USER MOD Single : A 24 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.8!) USER MOD Single : A 26 GLN : amide:sc= -0.551 K(o=-0.55,f=-7.8!) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= -1.31 (180deg=-1.73!) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.255) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 40 SER OG : rot -93:sc= 0.238 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.635 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 30:sc=-0.00643 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -0.105 (180deg=-0.487) USER MOD Single : A 55 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.5!) USER MOD Single : A 64 GLN : amide:sc= -1.43! C(o=-1.4!,f=-2.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -136:sc= -0.0889 (180deg=-0.569) USER MOD Single : A 86 SER OG : rot 74:sc= 0.0702 USER MOD Single : A 87 GLN : amide:sc= -4.22 K(o=-4.2,f=-11!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 82:sc= 0.947 USER MOD Single : A 97 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -114:sc= -0.413 (180deg=-0.922) USER MOD Single : A 102 THR OG1 : rot -111:sc= -1.11 USER MOD Single : A 104 SER OG : rot 180:sc= -0.457 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -9.729 -17.054 -7.839 1.00 0.00 N ATOM 2 CA LYS A 17 -10.379 -15.872 -7.285 1.00 0.00 C ATOM 3 C LYS A 17 -9.406 -14.698 -7.217 1.00 0.00 C ATOM 4 O LYS A 17 -8.819 -14.422 -6.172 1.00 0.00 O ATOM 5 CB LYS A 17 -10.931 -16.175 -5.890 1.00 0.00 C ATOM 6 CG LYS A 17 -12.283 -15.536 -5.619 1.00 0.00 C ATOM 7 CD LYS A 17 -13.297 -16.556 -5.126 1.00 0.00 C ATOM 8 CE LYS A 17 -14.167 -15.986 -4.018 1.00 0.00 C ATOM 9 NZ LYS A 17 -14.833 -17.058 -3.226 1.00 0.00 N ATOM 0 HA LYS A 17 -11.204 -15.599 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.018 -17.255 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.218 -15.827 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.170 -14.746 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.653 -15.066 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.927 -16.875 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.776 -17.442 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.556 -15.372 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.924 -15.332 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.417 -16.627 -2.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.436 -17.628 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.111 -17.668 -2.791 1.00 0.00 H new ATOM 23 N ARG A 18 -9.243 -14.010 -8.343 1.00 0.00 N ATOM 24 CA ARG A 18 -8.342 -12.864 -8.415 1.00 0.00 C ATOM 25 C ARG A 18 -8.411 -12.202 -9.787 1.00 0.00 C ATOM 26 O ARG A 18 -7.733 -12.620 -10.724 1.00 0.00 O ATOM 27 CB ARG A 18 -6.906 -13.299 -8.119 1.00 0.00 C ATOM 28 CG ARG A 18 -5.961 -12.138 -7.855 1.00 0.00 C ATOM 29 CD ARG A 18 -4.753 -12.575 -7.042 1.00 0.00 C ATOM 30 NE ARG A 18 -4.417 -11.608 -5.999 1.00 0.00 N ATOM 31 CZ ARG A 18 -5.064 -11.511 -4.840 1.00 0.00 C ATOM 32 NH1 ARG A 18 -6.081 -12.321 -4.573 1.00 0.00 N ATOM 33 NH2 ARG A 18 -4.694 -10.604 -3.947 1.00 0.00 N ATOM 0 H ARG A 18 -9.722 -14.226 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.658 -12.139 -7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.907 -13.960 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.530 -13.879 -8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.629 -11.715 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.492 -11.349 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.954 -13.545 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.898 -12.705 -7.705 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.640 -10.969 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.369 -13.021 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.575 -12.244 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.913 -9.980 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.190 -10.530 -3.059 1.00 0.00 H new ATOM 47 N VAL A 19 -9.236 -11.165 -9.897 1.00 0.00 N ATOM 48 CA VAL A 19 -9.395 -10.444 -11.153 1.00 0.00 C ATOM 49 C VAL A 19 -9.495 -8.941 -10.915 1.00 0.00 C ATOM 50 O VAL A 19 -9.805 -8.499 -9.808 1.00 0.00 O ATOM 51 CB VAL A 19 -10.645 -10.916 -11.920 1.00 0.00 C ATOM 52 CG1 VAL A 19 -10.658 -10.339 -13.327 1.00 0.00 C ATOM 53 CG2 VAL A 19 -10.708 -12.435 -11.958 1.00 0.00 C ATOM 0 H VAL A 19 -9.805 -10.806 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.510 -10.656 -11.753 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.529 -10.553 -11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.548 -10.683 -13.853 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.666 -9.250 -13.274 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.769 -10.669 -13.864 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.598 -12.749 -12.504 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.820 -12.824 -12.457 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.751 -12.823 -10.940 1.00 0.00 H new ATOM 63 N GLY A 20 -9.234 -8.162 -11.958 1.00 0.00 N ATOM 64 CA GLY A 20 -9.302 -6.717 -11.841 1.00 0.00 C ATOM 65 C GLY A 20 -8.305 -6.014 -12.740 1.00 0.00 C ATOM 66 O GLY A 20 -8.087 -6.427 -13.878 1.00 0.00 O ATOM 0 H GLY A 20 -8.976 -8.505 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.309 -6.383 -12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.118 -6.431 -10.806 1.00 0.00 H new ATOM 70 N LYS A 21 -7.700 -4.949 -12.227 1.00 0.00 N ATOM 71 CA LYS A 21 -6.720 -4.184 -12.992 1.00 0.00 C ATOM 72 C LYS A 21 -5.850 -3.339 -12.067 1.00 0.00 C ATOM 73 O LYS A 21 -6.317 -2.839 -11.044 1.00 0.00 O ATOM 74 CB LYS A 21 -7.420 -3.288 -14.020 1.00 0.00 C ATOM 75 CG LYS A 21 -8.713 -2.662 -13.518 1.00 0.00 C ATOM 76 CD LYS A 21 -8.455 -1.356 -12.786 1.00 0.00 C ATOM 77 CE LYS A 21 -9.697 -0.477 -12.759 1.00 0.00 C ATOM 78 NZ LYS A 21 -9.898 0.169 -11.431 1.00 0.00 N ATOM 0 H LYS A 21 -7.870 -4.595 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.079 -4.890 -13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.736 -2.494 -14.319 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.636 -3.876 -14.912 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.381 -2.482 -14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.221 -3.359 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.135 -1.567 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.639 -0.820 -13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.613 0.292 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.572 -1.079 -13.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.915 0.223 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.423 -0.393 -10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.496 1.128 -11.447 1.00 0.00 H new ATOM 92 N ARG A 22 -4.582 -3.186 -12.433 1.00 0.00 N ATOM 93 CA ARG A 22 -3.645 -2.404 -11.634 1.00 0.00 C ATOM 94 C ARG A 22 -3.736 -0.922 -11.981 1.00 0.00 C ATOM 95 O ARG A 22 -4.074 -0.557 -13.107 1.00 0.00 O ATOM 96 CB ARG A 22 -2.214 -2.900 -11.851 1.00 0.00 C ATOM 97 CG ARG A 22 -2.086 -4.416 -11.858 1.00 0.00 C ATOM 98 CD ARG A 22 -1.575 -4.930 -13.195 1.00 0.00 C ATOM 99 NE ARG A 22 -1.707 -6.379 -13.312 1.00 0.00 N ATOM 100 CZ ARG A 22 -1.034 -7.118 -14.193 1.00 0.00 C ATOM 101 NH1 ARG A 22 -0.182 -6.545 -15.035 1.00 0.00 N ATOM 102 NH2 ARG A 22 -1.214 -8.430 -14.234 1.00 0.00 N ATOM 0 H ARG A 22 -4.179 -3.593 -13.277 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.912 -2.532 -10.585 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.843 -2.509 -12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.575 -2.494 -11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.407 -4.728 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.056 -4.864 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.127 -4.450 -14.003 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.528 -4.651 -13.314 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.353 -6.854 -12.682 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.041 -5.535 -15.009 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.331 -7.115 -15.708 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.868 -8.875 -13.591 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.698 -8.995 -14.909 1.00 0.00 H new ATOM 116 N LEU A 23 -3.430 -0.071 -11.006 1.00 0.00 N ATOM 117 CA LEU A 23 -3.478 1.374 -11.211 1.00 0.00 C ATOM 118 C LEU A 23 -2.220 2.046 -10.672 1.00 0.00 C ATOM 119 O LEU A 23 -1.551 1.517 -9.786 1.00 0.00 O ATOM 120 CB LEU A 23 -4.712 1.975 -10.535 1.00 0.00 C ATOM 121 CG LEU A 23 -5.915 1.041 -10.429 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.913 1.567 -9.408 1.00 0.00 C ATOM 123 CD2 LEU A 23 -6.579 0.873 -11.789 1.00 0.00 C ATOM 0 H LEU A 23 -3.147 -0.356 -10.068 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.537 1.553 -12.285 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.435 2.300 -9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.011 2.866 -11.087 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.565 0.065 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.763 0.888 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.433 1.636 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.259 2.555 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.435 0.204 -11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.915 1.844 -12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.863 0.450 -12.494 1.00 0.00 H new ATOM 135 N ASN A 24 -1.912 3.220 -11.209 1.00 0.00 N ATOM 136 CA ASN A 24 -0.742 3.978 -10.781 1.00 0.00 C ATOM 137 C ASN A 24 -1.170 5.271 -10.097 1.00 0.00 C ATOM 138 O ASN A 24 -1.975 6.030 -10.636 1.00 0.00 O ATOM 139 CB ASN A 24 0.156 4.292 -11.979 1.00 0.00 C ATOM 140 CG ASN A 24 0.803 3.049 -12.557 1.00 0.00 C ATOM 141 OD1 ASN A 24 0.124 2.073 -12.878 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.124 3.077 -12.693 1.00 0.00 N ATOM 0 H ASN A 24 -2.458 3.669 -11.944 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.180 3.373 -10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.433 4.785 -12.752 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.932 4.994 -11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.614 2.269 -13.076 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.648 3.907 -12.414 1.00 0.00 H new ATOM 149 N ILE A 25 -0.636 5.515 -8.904 1.00 0.00 N ATOM 150 CA ILE A 25 -0.981 6.715 -8.153 1.00 0.00 C ATOM 151 C ILE A 25 0.267 7.462 -7.686 1.00 0.00 C ATOM 152 O ILE A 25 1.089 6.920 -6.948 1.00 0.00 O ATOM 153 CB ILE A 25 -1.861 6.372 -6.932 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.166 5.714 -7.389 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.152 7.618 -6.108 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.285 4.260 -6.986 1.00 0.00 C ATOM 0 H ILE A 25 0.033 4.901 -8.440 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.542 7.361 -8.828 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.317 5.669 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.008 6.268 -6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.240 5.789 -8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.774 7.352 -5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.215 8.048 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.677 8.348 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.234 3.860 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.464 3.693 -7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.243 4.179 -5.900 1.00 0.00 H new ATOM 168 N GLN A 26 0.389 8.713 -8.118 1.00 0.00 N ATOM 169 CA GLN A 26 1.523 9.550 -7.743 1.00 0.00 C ATOM 170 C GLN A 26 1.108 10.549 -6.669 1.00 0.00 C ATOM 171 O GLN A 26 0.224 11.377 -6.889 1.00 0.00 O ATOM 172 CB GLN A 26 2.067 10.291 -8.965 1.00 0.00 C ATOM 173 CG GLN A 26 2.184 9.420 -10.205 1.00 0.00 C ATOM 174 CD GLN A 26 1.049 9.648 -11.186 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.058 9.145 -11.000 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.322 10.410 -12.238 1.00 0.00 N ATOM 0 H GLN A 26 -0.286 9.171 -8.730 1.00 0.00 H new ATOM 0 HA GLN A 26 2.309 8.909 -7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.416 11.137 -9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.049 10.699 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.134 9.624 -10.700 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.198 8.371 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.255 10.807 -12.352 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.599 10.599 -12.932 1.00 0.00 H new ATOM 185 N LEU A 27 1.736 10.460 -5.502 1.00 0.00 N ATOM 186 CA LEU A 27 1.415 11.351 -4.395 1.00 0.00 C ATOM 187 C LEU A 27 2.574 12.280 -4.067 1.00 0.00 C ATOM 188 O LEU A 27 3.726 11.854 -3.987 1.00 0.00 O ATOM 189 CB LEU A 27 1.034 10.538 -3.160 1.00 0.00 C ATOM 190 CG LEU A 27 0.095 9.368 -3.436 1.00 0.00 C ATOM 191 CD1 LEU A 27 0.088 8.397 -2.266 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.310 9.870 -3.726 1.00 0.00 C ATOM 0 H LEU A 27 2.469 9.781 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 27 0.569 11.967 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.944 10.155 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.563 11.202 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 27 0.458 8.837 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.588 7.570 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.095 8.011 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.248 8.913 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.966 9.022 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.682 10.427 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.290 10.522 -4.600 1.00 0.00 H new ATOM 204 N LYS A 28 2.254 13.550 -3.867 1.00 0.00 N ATOM 205 CA LYS A 28 3.257 14.553 -3.536 1.00 0.00 C ATOM 206 C LYS A 28 3.565 14.532 -2.043 1.00 0.00 C ATOM 207 O LYS A 28 2.692 14.797 -1.217 1.00 0.00 O ATOM 208 CB LYS A 28 2.770 15.944 -3.946 1.00 0.00 C ATOM 209 CG LYS A 28 3.872 16.987 -3.983 1.00 0.00 C ATOM 210 CD LYS A 28 4.999 16.569 -4.913 1.00 0.00 C ATOM 211 CE LYS A 28 5.731 17.775 -5.480 1.00 0.00 C ATOM 212 NZ LYS A 28 6.979 18.072 -4.728 1.00 0.00 N ATOM 0 H LYS A 28 1.302 13.912 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 28 4.169 14.318 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.307 15.882 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.997 16.269 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.461 17.941 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.265 17.139 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.703 15.936 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.595 15.970 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.973 17.593 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.074 18.645 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.709 18.410 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.789 18.806 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.313 17.208 -4.255 1.00 0.00 H new ATOM 226 N LYS A 29 4.809 14.212 -1.701 1.00 0.00 N ATOM 227 CA LYS A 29 5.226 14.154 -0.303 1.00 0.00 C ATOM 228 C LYS A 29 4.862 15.439 0.437 1.00 0.00 C ATOM 229 O LYS A 29 5.112 16.542 -0.052 1.00 0.00 O ATOM 230 CB LYS A 29 6.734 13.907 -0.211 1.00 0.00 C ATOM 231 CG LYS A 29 7.095 12.467 0.113 1.00 0.00 C ATOM 232 CD LYS A 29 7.473 12.300 1.577 1.00 0.00 C ATOM 233 CE LYS A 29 6.275 12.499 2.491 1.00 0.00 C ATOM 234 NZ LYS A 29 5.789 11.209 3.056 1.00 0.00 N ATOM 0 H LYS A 29 5.545 13.989 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 29 4.697 13.327 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.198 14.185 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.155 14.559 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.251 11.818 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.926 12.149 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.890 11.305 1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.252 13.017 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.546 13.173 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.469 12.979 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.802 11.316 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.844 10.468 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.381 10.941 3.868 1.00 0.00 H new ATOM 248 N GLY A 30 4.272 15.287 1.618 1.00 0.00 N ATOM 249 CA GLY A 30 3.885 16.439 2.411 1.00 0.00 C ATOM 250 C GLY A 30 4.409 16.369 3.832 1.00 0.00 C ATOM 251 O GLY A 30 5.416 15.713 4.096 1.00 0.00 O ATOM 0 H GLY A 30 4.055 14.385 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.257 17.346 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.798 16.513 2.431 1.00 0.00 H new ATOM 255 N THR A 31 3.726 17.046 4.749 1.00 0.00 N ATOM 256 CA THR A 31 4.130 17.058 6.150 1.00 0.00 C ATOM 257 C THR A 31 3.425 15.952 6.931 1.00 0.00 C ATOM 258 O THR A 31 4.025 15.302 7.784 1.00 0.00 O ATOM 259 CB THR A 31 3.825 18.419 6.779 1.00 0.00 C ATOM 260 OG1 THR A 31 2.750 19.052 6.108 1.00 0.00 O ATOM 261 CG2 THR A 31 5.004 19.366 6.755 1.00 0.00 C ATOM 0 H THR A 31 2.890 17.594 4.547 1.00 0.00 H new ATOM 0 HA THR A 31 5.204 16.879 6.194 1.00 0.00 H new ATOM 0 HB THR A 31 3.571 18.207 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.569 19.920 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.720 20.312 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.834 18.927 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.308 19.542 5.723 1.00 0.00 H new ATOM 269 N GLU A 32 2.145 15.748 6.632 1.00 0.00 N ATOM 270 CA GLU A 32 1.358 14.722 7.308 1.00 0.00 C ATOM 271 C GLU A 32 1.426 13.398 6.553 1.00 0.00 C ATOM 272 O GLU A 32 0.399 12.779 6.268 1.00 0.00 O ATOM 273 CB GLU A 32 -0.098 15.175 7.442 1.00 0.00 C ATOM 274 CG GLU A 32 -0.256 16.515 8.141 1.00 0.00 C ATOM 275 CD GLU A 32 -1.579 16.641 8.871 1.00 0.00 C ATOM 276 OE1 GLU A 32 -2.563 17.088 8.245 1.00 0.00 O ATOM 277 OE2 GLU A 32 -1.630 16.291 10.069 1.00 0.00 O ATOM 0 H GLU A 32 1.632 16.278 5.928 1.00 0.00 H new ATOM 0 HA GLU A 32 1.778 14.572 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.543 15.238 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.656 14.419 7.994 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.560 16.648 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.173 17.316 7.406 1.00 0.00 H new ATOM 284 N GLY A 33 2.641 12.966 6.230 1.00 0.00 N ATOM 285 CA GLY A 33 2.819 11.718 5.511 1.00 0.00 C ATOM 286 C GLY A 33 2.064 11.692 4.197 1.00 0.00 C ATOM 287 O GLY A 33 2.064 12.672 3.453 1.00 0.00 O ATOM 0 H GLY A 33 3.506 13.458 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.881 11.561 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.482 10.891 6.136 1.00 0.00 H new ATOM 291 N LEU A 34 1.419 10.565 3.910 1.00 0.00 N ATOM 292 CA LEU A 34 0.654 10.415 2.677 1.00 0.00 C ATOM 293 C LEU A 34 -0.839 10.293 2.969 1.00 0.00 C ATOM 294 O LEU A 34 -1.674 10.569 2.107 1.00 0.00 O ATOM 295 CB LEU A 34 1.141 9.189 1.902 1.00 0.00 C ATOM 296 CG LEU A 34 2.520 9.337 1.259 1.00 0.00 C ATOM 297 CD1 LEU A 34 2.883 8.086 0.473 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.562 10.563 0.362 1.00 0.00 C ATOM 0 H LEU A 34 1.411 9.743 4.514 1.00 0.00 H new ATOM 0 HA LEU A 34 0.809 11.307 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.162 8.335 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.416 8.959 1.122 1.00 0.00 H new ATOM 0 HG LEU A 34 3.256 9.467 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.868 8.212 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.897 7.227 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.144 7.922 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.551 10.652 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.814 10.464 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.351 11.454 0.953 1.00 0.00 H new ATOM 310 N GLY A 35 -1.171 9.882 4.191 1.00 0.00 N ATOM 311 CA GLY A 35 -2.564 9.734 4.572 1.00 0.00 C ATOM 312 C GLY A 35 -3.104 8.348 4.294 1.00 0.00 C ATOM 313 O GLY A 35 -4.318 8.152 4.228 1.00 0.00 O ATOM 0 H GLY A 35 -0.500 9.649 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.671 9.954 5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.163 10.467 4.033 1.00 0.00 H new ATOM 317 N PHE A 36 -2.207 7.381 4.130 1.00 0.00 N ATOM 318 CA PHE A 36 -2.616 6.010 3.858 1.00 0.00 C ATOM 319 C PHE A 36 -1.742 5.017 4.619 1.00 0.00 C ATOM 320 O PHE A 36 -0.515 5.111 4.602 1.00 0.00 O ATOM 321 CB PHE A 36 -2.571 5.727 2.349 1.00 0.00 C ATOM 322 CG PHE A 36 -1.224 5.299 1.834 1.00 0.00 C ATOM 323 CD1 PHE A 36 -0.091 6.047 2.109 1.00 0.00 C ATOM 324 CD2 PHE A 36 -1.094 4.146 1.077 1.00 0.00 C ATOM 325 CE1 PHE A 36 1.147 5.653 1.638 1.00 0.00 C ATOM 326 CE2 PHE A 36 0.142 3.747 0.603 1.00 0.00 C ATOM 327 CZ PHE A 36 1.263 4.501 0.885 1.00 0.00 C ATOM 0 H PHE A 36 -1.198 7.521 4.181 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.642 5.886 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.299 4.949 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.882 6.625 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.176 6.948 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.968 3.552 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.023 6.245 1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.230 2.847 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.230 4.191 0.517 1.00 0.00 H new ATOM 337 N SER A 37 -2.384 4.061 5.279 1.00 0.00 N ATOM 338 CA SER A 37 -1.666 3.044 6.034 1.00 0.00 C ATOM 339 C SER A 37 -1.721 1.714 5.297 1.00 0.00 C ATOM 340 O SER A 37 -2.776 1.311 4.808 1.00 0.00 O ATOM 341 CB SER A 37 -2.267 2.895 7.434 1.00 0.00 C ATOM 342 OG SER A 37 -1.911 3.990 8.261 1.00 0.00 O ATOM 0 H SER A 37 -3.400 3.969 5.306 1.00 0.00 H new ATOM 0 HA SER A 37 -0.625 3.352 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.353 2.827 7.362 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.919 1.966 7.886 1.00 0.00 H new ATOM 0 HG SER A 37 -2.308 3.872 9.149 1.00 0.00 H new ATOM 348 N ILE A 38 -0.582 1.041 5.205 1.00 0.00 N ATOM 349 CA ILE A 38 -0.518 -0.235 4.508 1.00 0.00 C ATOM 350 C ILE A 38 -0.354 -1.404 5.466 1.00 0.00 C ATOM 351 O ILE A 38 0.404 -1.336 6.433 1.00 0.00 O ATOM 352 CB ILE A 38 0.633 -0.272 3.492 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.941 0.155 4.156 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.315 0.616 2.302 1.00 0.00 C ATOM 355 CD1 ILE A 38 3.151 0.006 3.261 1.00 0.00 C ATOM 0 H ILE A 38 0.304 1.355 5.601 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.469 -0.333 3.985 1.00 0.00 H new ATOM 0 HB ILE A 38 0.751 -1.294 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.857 1.196 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.091 -0.438 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.140 0.580 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.597 0.264 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.173 1.642 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.043 0.328 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.261 -1.038 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.023 0.621 2.370 1.00 0.00 H new ATOM 367 N THR A 39 -1.064 -2.477 5.165 1.00 0.00 N ATOM 368 CA THR A 39 -1.006 -3.693 5.970 1.00 0.00 C ATOM 369 C THR A 39 -0.291 -4.800 5.204 1.00 0.00 C ATOM 370 O THR A 39 -0.105 -4.707 3.989 1.00 0.00 O ATOM 371 CB THR A 39 -2.413 -4.156 6.359 1.00 0.00 C ATOM 372 OG1 THR A 39 -2.408 -5.525 6.723 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.437 -3.980 5.257 1.00 0.00 C ATOM 0 H THR A 39 -1.693 -2.534 4.364 1.00 0.00 H new ATOM 0 HA THR A 39 -0.449 -3.471 6.880 1.00 0.00 H new ATOM 0 HB THR A 39 -2.698 -3.522 7.198 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.315 -5.801 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.409 -4.329 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.505 -2.926 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.135 -4.558 4.384 1.00 0.00 H new ATOM 381 N SER A 40 0.112 -5.844 5.918 1.00 0.00 N ATOM 382 CA SER A 40 0.812 -6.964 5.299 1.00 0.00 C ATOM 383 C SER A 40 0.106 -8.281 5.597 1.00 0.00 C ATOM 384 O SER A 40 -0.211 -8.582 6.748 1.00 0.00 O ATOM 385 CB SER A 40 2.259 -7.021 5.791 1.00 0.00 C ATOM 386 OG SER A 40 2.843 -8.282 5.515 1.00 0.00 O ATOM 0 H SER A 40 -0.033 -5.939 6.923 1.00 0.00 H new ATOM 0 HA SER A 40 0.809 -6.811 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.841 -6.234 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.289 -6.830 6.864 1.00 0.00 H new ATOM 0 HG SER A 40 2.732 -8.871 6.291 1.00 0.00 H new ATOM 392 N ARG A 41 -0.133 -9.067 4.552 1.00 0.00 N ATOM 393 CA ARG A 41 -0.797 -10.357 4.703 1.00 0.00 C ATOM 394 C ARG A 41 -0.002 -11.272 5.632 1.00 0.00 C ATOM 395 O ARG A 41 -0.558 -12.183 6.246 1.00 0.00 O ATOM 396 CB ARG A 41 -0.981 -11.025 3.339 1.00 0.00 C ATOM 397 CG ARG A 41 -2.363 -11.625 3.137 1.00 0.00 C ATOM 398 CD ARG A 41 -2.290 -12.986 2.465 1.00 0.00 C ATOM 399 NE ARG A 41 -3.340 -13.886 2.937 1.00 0.00 N ATOM 400 CZ ARG A 41 -3.724 -14.982 2.287 1.00 0.00 C ATOM 401 NH1 ARG A 41 -3.149 -15.315 1.138 1.00 0.00 N ATOM 402 NH2 ARG A 41 -4.686 -15.745 2.785 1.00 0.00 N ATOM 0 H ARG A 41 0.123 -8.834 3.593 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.778 -10.183 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.795 -10.290 2.556 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.233 -11.810 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.863 -11.721 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.968 -10.951 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.376 -12.863 1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.315 -13.434 2.658 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.806 -13.661 3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.409 -14.730 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.447 -16.156 0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.132 -15.492 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.980 -16.585 2.287 1.00 0.00 H new ATOM 416 N ASP A 42 1.302 -11.024 5.726 1.00 0.00 N ATOM 417 CA ASP A 42 2.174 -11.824 6.579 1.00 0.00 C ATOM 418 C ASP A 42 2.201 -13.277 6.120 1.00 0.00 C ATOM 419 O ASP A 42 1.940 -14.193 6.902 1.00 0.00 O ATOM 420 CB ASP A 42 1.714 -11.741 8.036 1.00 0.00 C ATOM 421 CG ASP A 42 2.294 -10.540 8.758 1.00 0.00 C ATOM 422 OD1 ASP A 42 2.079 -9.403 8.286 1.00 0.00 O ATOM 423 OD2 ASP A 42 2.961 -10.736 9.796 1.00 0.00 O ATOM 0 H ASP A 42 1.777 -10.275 5.222 1.00 0.00 H new ATOM 0 HA ASP A 42 3.184 -11.422 6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.626 -11.690 8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.006 -12.652 8.559 1.00 0.00 H new ATOM 428 N VAL A 43 2.523 -13.484 4.847 1.00 0.00 N ATOM 429 CA VAL A 43 2.588 -14.829 4.287 1.00 0.00 C ATOM 430 C VAL A 43 3.744 -15.614 4.890 1.00 0.00 C ATOM 431 O VAL A 43 3.623 -16.810 5.159 1.00 0.00 O ATOM 432 CB VAL A 43 2.748 -14.793 2.755 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.702 -16.200 2.178 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.676 -13.917 2.125 1.00 0.00 C ATOM 0 H VAL A 43 2.742 -12.739 4.185 1.00 0.00 H new ATOM 0 HA VAL A 43 1.648 -15.323 4.533 1.00 0.00 H new ATOM 0 HB VAL A 43 3.721 -14.361 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.817 -16.153 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.511 -16.794 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.745 -16.662 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.806 -13.904 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.691 -14.316 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.762 -12.902 2.513 1.00 0.00 H new ATOM 444 N THR A 44 4.865 -14.935 5.100 1.00 0.00 N ATOM 445 CA THR A 44 6.045 -15.568 5.674 1.00 0.00 C ATOM 446 C THR A 44 6.730 -14.646 6.675 1.00 0.00 C ATOM 447 O THR A 44 6.391 -13.468 6.782 1.00 0.00 O ATOM 448 CB THR A 44 7.029 -15.965 4.572 1.00 0.00 C ATOM 449 OG1 THR A 44 8.300 -16.265 5.119 1.00 0.00 O ATOM 450 CG2 THR A 44 7.222 -14.891 3.523 1.00 0.00 C ATOM 0 H THR A 44 4.981 -13.946 4.881 1.00 0.00 H new ATOM 0 HA THR A 44 5.720 -16.465 6.200 1.00 0.00 H new ATOM 0 HB THR A 44 6.588 -16.840 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.915 -16.518 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.932 -15.239 2.772 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.267 -14.673 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.607 -13.987 3.995 1.00 0.00 H new ATOM 458 N ILE A 45 7.696 -15.192 7.407 1.00 0.00 N ATOM 459 CA ILE A 45 8.431 -14.421 8.402 1.00 0.00 C ATOM 460 C ILE A 45 9.104 -13.207 7.775 1.00 0.00 C ATOM 461 O ILE A 45 8.749 -12.065 8.069 1.00 0.00 O ATOM 462 CB ILE A 45 9.500 -15.282 9.098 1.00 0.00 C ATOM 463 CG1 ILE A 45 8.911 -16.634 9.498 1.00 0.00 C ATOM 464 CG2 ILE A 45 10.057 -14.557 10.314 1.00 0.00 C ATOM 465 CD1 ILE A 45 9.488 -17.799 8.722 1.00 0.00 C ATOM 0 H ILE A 45 7.988 -16.166 7.329 1.00 0.00 H new ATOM 0 HA ILE A 45 7.703 -14.086 9.141 1.00 0.00 H new ATOM 0 HB ILE A 45 10.319 -15.455 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.084 -16.796 10.562 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.831 -16.609 9.350 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.812 -15.180 10.795 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.509 -13.616 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.250 -14.356 11.019 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.024 -18.726 9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.292 -17.660 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.564 -17.850 8.889 1.00 0.00 H new ATOM 477 N GLY A 46 10.072 -13.463 6.907 1.00 0.00 N ATOM 478 CA GLY A 46 10.783 -12.385 6.246 1.00 0.00 C ATOM 479 C GLY A 46 11.092 -12.698 4.796 1.00 0.00 C ATOM 480 O GLY A 46 12.248 -12.657 4.377 1.00 0.00 O ATOM 0 H GLY A 46 10.379 -14.400 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.186 -11.474 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.714 -12.188 6.778 1.00 0.00 H new ATOM 484 N GLY A 47 10.054 -13.011 4.024 1.00 0.00 N ATOM 485 CA GLY A 47 10.242 -13.328 2.621 1.00 0.00 C ATOM 486 C GLY A 47 9.290 -12.563 1.720 1.00 0.00 C ATOM 487 O GLY A 47 9.438 -11.355 1.533 1.00 0.00 O ATOM 0 H GLY A 47 9.087 -13.050 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.269 -13.101 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.098 -14.398 2.471 1.00 0.00 H new ATOM 491 N SER A 48 8.313 -13.269 1.161 1.00 0.00 N ATOM 492 CA SER A 48 7.334 -12.649 0.275 1.00 0.00 C ATOM 493 C SER A 48 5.988 -12.491 0.973 1.00 0.00 C ATOM 494 O SER A 48 5.575 -13.350 1.754 1.00 0.00 O ATOM 495 CB SER A 48 7.168 -13.485 -0.996 1.00 0.00 C ATOM 496 OG SER A 48 6.086 -13.011 -1.781 1.00 0.00 O ATOM 0 H SER A 48 8.178 -14.270 1.305 1.00 0.00 H new ATOM 0 HA SER A 48 7.700 -11.658 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.088 -13.451 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.998 -14.528 -0.729 1.00 0.00 H new ATOM 0 HG SER A 48 6.002 -13.561 -2.588 1.00 0.00 H new ATOM 502 N ALA A 49 5.308 -11.386 0.686 1.00 0.00 N ATOM 503 CA ALA A 49 4.006 -11.111 1.283 1.00 0.00 C ATOM 504 C ALA A 49 3.371 -9.869 0.654 1.00 0.00 C ATOM 505 O ALA A 49 3.977 -8.798 0.637 1.00 0.00 O ATOM 506 CB ALA A 49 4.144 -10.936 2.788 1.00 0.00 C ATOM 0 H ALA A 49 5.637 -10.666 0.043 1.00 0.00 H new ATOM 0 HA ALA A 49 3.352 -11.961 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.165 -10.731 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.551 -11.848 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.815 -10.103 2.997 1.00 0.00 H new ATOM 512 N PRO A 50 2.143 -9.997 0.120 1.00 0.00 N ATOM 513 CA PRO A 50 1.440 -8.876 -0.518 1.00 0.00 C ATOM 514 C PRO A 50 1.039 -7.789 0.476 1.00 0.00 C ATOM 515 O PRO A 50 0.686 -8.076 1.622 1.00 0.00 O ATOM 516 CB PRO A 50 0.193 -9.530 -1.122 1.00 0.00 C ATOM 517 CG PRO A 50 -0.021 -10.762 -0.314 1.00 0.00 C ATOM 518 CD PRO A 50 1.346 -11.238 0.087 1.00 0.00 C ATOM 0 HA PRO A 50 2.072 -8.371 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.669 -8.865 -1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.342 -9.769 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.634 -10.552 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.544 -11.522 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.331 -11.732 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.748 -11.955 -0.629 1.00 0.00 H new ATOM 526 N ILE A 51 1.098 -6.539 0.025 1.00 0.00 N ATOM 527 CA ILE A 51 0.743 -5.398 0.863 1.00 0.00 C ATOM 528 C ILE A 51 -0.531 -4.722 0.358 1.00 0.00 C ATOM 529 O ILE A 51 -0.631 -4.365 -0.815 1.00 0.00 O ATOM 530 CB ILE A 51 1.881 -4.358 0.895 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.209 -5.035 1.273 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.543 -3.224 1.853 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.599 -4.882 2.731 1.00 0.00 C ATOM 0 H ILE A 51 1.390 -6.290 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 51 0.575 -5.780 1.870 1.00 0.00 H new ATOM 0 HB ILE A 51 1.993 -3.927 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.141 -6.097 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.003 -4.621 0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.358 -2.500 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.626 -2.734 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.403 -3.625 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.547 -5.389 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.703 -3.824 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.827 -5.323 3.362 1.00 0.00 H new ATOM 545 N TYR A 52 -1.501 -4.548 1.252 1.00 0.00 N ATOM 546 CA TYR A 52 -2.767 -3.912 0.894 1.00 0.00 C ATOM 547 C TYR A 52 -3.017 -2.681 1.760 1.00 0.00 C ATOM 548 O TYR A 52 -2.580 -2.621 2.906 1.00 0.00 O ATOM 549 CB TYR A 52 -3.926 -4.898 1.056 1.00 0.00 C ATOM 550 CG TYR A 52 -3.660 -6.256 0.447 1.00 0.00 C ATOM 551 CD1 TYR A 52 -2.797 -7.156 1.059 1.00 0.00 C ATOM 552 CD2 TYR A 52 -4.273 -6.639 -0.740 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.553 -8.399 0.508 1.00 0.00 C ATOM 554 CE2 TYR A 52 -4.034 -7.880 -1.298 1.00 0.00 C ATOM 555 CZ TYR A 52 -3.174 -8.756 -0.670 1.00 0.00 C ATOM 556 OH TYR A 52 -2.932 -9.993 -1.223 1.00 0.00 O ATOM 0 H TYR A 52 -1.435 -4.838 2.228 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.705 -3.602 -0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.140 -5.022 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.819 -4.473 0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.308 -6.879 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.947 -5.955 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.880 -9.087 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.518 -8.163 -2.221 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.731 -10.636 -0.511 1.00 0.00 H new ATOM 566 N VAL A 53 -3.724 -1.702 1.206 1.00 0.00 N ATOM 567 CA VAL A 53 -4.029 -0.476 1.937 1.00 0.00 C ATOM 568 C VAL A 53 -4.876 -0.770 3.170 1.00 0.00 C ATOM 569 O VAL A 53 -6.086 -0.975 3.072 1.00 0.00 O ATOM 570 CB VAL A 53 -4.767 0.546 1.053 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.884 1.886 1.766 1.00 0.00 C ATOM 572 CG2 VAL A 53 -4.057 0.704 -0.284 1.00 0.00 C ATOM 0 H VAL A 53 -4.096 -1.732 0.257 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.074 -0.049 2.245 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.774 0.175 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.408 2.595 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.440 1.757 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.888 2.267 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.592 1.430 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.038 1.052 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.032 -0.257 -0.799 1.00 0.00 H new ATOM 582 N LYS A 54 -4.230 -0.787 4.331 1.00 0.00 N ATOM 583 CA LYS A 54 -4.917 -1.054 5.587 1.00 0.00 C ATOM 584 C LYS A 54 -5.992 -0.008 5.853 1.00 0.00 C ATOM 585 O LYS A 54 -7.015 -0.299 6.473 1.00 0.00 O ATOM 586 CB LYS A 54 -3.917 -1.074 6.745 1.00 0.00 C ATOM 587 CG LYS A 54 -4.535 -1.456 8.078 1.00 0.00 C ATOM 588 CD LYS A 54 -3.639 -1.066 9.243 1.00 0.00 C ATOM 589 CE LYS A 54 -2.986 -2.283 9.878 1.00 0.00 C ATOM 590 NZ LYS A 54 -3.993 -3.211 10.461 1.00 0.00 N ATOM 0 H LYS A 54 -3.229 -0.618 4.427 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.395 -2.030 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.117 -1.776 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.460 -0.089 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.504 -0.967 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.716 -2.531 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.868 -0.378 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.226 -0.535 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.396 -2.811 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.296 -1.960 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.561 -3.746 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.801 -2.664 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.322 -3.872 9.728 1.00 0.00 H new ATOM 604 N ASN A 55 -5.752 1.213 5.386 1.00 0.00 N ATOM 605 CA ASN A 55 -6.709 2.298 5.586 1.00 0.00 C ATOM 606 C ASN A 55 -6.277 3.575 4.870 1.00 0.00 C ATOM 607 O ASN A 55 -5.096 3.771 4.581 1.00 0.00 O ATOM 608 CB ASN A 55 -6.883 2.578 7.080 1.00 0.00 C ATOM 609 CG ASN A 55 -8.085 3.453 7.369 1.00 0.00 C ATOM 610 OD1 ASN A 55 -8.082 4.649 7.082 1.00 0.00 O ATOM 611 ND2 ASN A 55 -9.125 2.858 7.946 1.00 0.00 N ATOM 0 H ASN A 55 -4.912 1.476 4.871 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.660 1.979 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.988 1.633 7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.985 3.062 7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.962 3.397 8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.085 1.863 8.167 1.00 0.00 H new ATOM 618 N ILE A 56 -7.248 4.443 4.599 1.00 0.00 N ATOM 619 CA ILE A 56 -6.989 5.713 3.929 1.00 0.00 C ATOM 620 C ILE A 56 -7.435 6.879 4.806 1.00 0.00 C ATOM 621 O ILE A 56 -8.615 7.227 4.840 1.00 0.00 O ATOM 622 CB ILE A 56 -7.716 5.793 2.570 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.300 4.626 1.672 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.430 7.124 1.884 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.867 4.706 1.193 1.00 0.00 C ATOM 0 H ILE A 56 -8.228 4.288 4.835 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.915 5.775 3.754 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.789 5.725 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.440 3.692 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.961 4.592 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.952 7.160 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.776 7.941 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.358 7.224 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.646 3.845 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.726 5.622 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.196 4.709 2.052 1.00 0.00 H new ATOM 637 N LEU A 57 -6.485 7.474 5.519 1.00 0.00 N ATOM 638 CA LEU A 57 -6.780 8.594 6.405 1.00 0.00 C ATOM 639 C LEU A 57 -7.356 9.777 5.629 1.00 0.00 C ATOM 640 O LEU A 57 -7.033 9.979 4.459 1.00 0.00 O ATOM 641 CB LEU A 57 -5.517 9.018 7.154 1.00 0.00 C ATOM 642 CG LEU A 57 -4.734 7.868 7.788 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.555 8.399 8.585 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.643 7.028 8.673 1.00 0.00 C ATOM 0 H LEU A 57 -5.503 7.199 5.501 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.530 8.267 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.862 9.548 6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.795 9.725 7.936 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.349 7.233 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.010 7.565 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.891 8.956 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.917 9.057 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.069 6.214 9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.058 7.652 9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.454 6.615 8.073 1.00 0.00 H new ATOM 656 N PRO A 58 -8.230 10.572 6.276 1.00 0.00 N ATOM 657 CA PRO A 58 -8.866 11.732 5.651 1.00 0.00 C ATOM 658 C PRO A 58 -8.022 13.000 5.736 1.00 0.00 C ATOM 659 O PRO A 58 -8.551 14.110 5.679 1.00 0.00 O ATOM 660 CB PRO A 58 -10.141 11.887 6.472 1.00 0.00 C ATOM 661 CG PRO A 58 -9.761 11.435 7.842 1.00 0.00 C ATOM 662 CD PRO A 58 -8.681 10.392 7.670 1.00 0.00 C ATOM 0 HA PRO A 58 -9.024 11.586 4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.487 12.921 6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.951 11.282 6.065 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.399 12.272 8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.622 11.018 8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.865 10.543 8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.067 9.386 7.838 1.00 0.00 H new ATOM 670 N ARG A 59 -6.709 12.838 5.869 1.00 0.00 N ATOM 671 CA ARG A 59 -5.806 13.979 5.956 1.00 0.00 C ATOM 672 C ARG A 59 -4.434 13.633 5.384 1.00 0.00 C ATOM 673 O ARG A 59 -3.468 13.454 6.125 1.00 0.00 O ATOM 674 CB ARG A 59 -5.667 14.437 7.410 1.00 0.00 C ATOM 675 CG ARG A 59 -6.819 15.307 7.886 1.00 0.00 C ATOM 676 CD ARG A 59 -6.326 16.634 8.445 1.00 0.00 C ATOM 677 NE ARG A 59 -6.495 17.726 7.490 1.00 0.00 N ATOM 678 CZ ARG A 59 -5.864 18.895 7.583 1.00 0.00 C ATOM 679 NH1 ARG A 59 -5.025 19.128 8.585 1.00 0.00 N ATOM 680 NH2 ARG A 59 -6.074 19.835 6.670 1.00 0.00 N ATOM 0 H ARG A 59 -6.248 11.929 5.919 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.230 14.792 5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.595 13.560 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.735 14.991 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.502 15.492 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.384 14.776 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.869 16.866 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.273 16.546 8.713 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.133 17.585 6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.860 18.409 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.545 20.026 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.718 19.662 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.591 20.731 6.740 1.00 0.00 H new ATOM 694 N GLY A 60 -4.359 13.541 4.060 1.00 0.00 N ATOM 695 CA GLY A 60 -3.100 13.218 3.412 1.00 0.00 C ATOM 696 C GLY A 60 -3.102 13.546 1.933 1.00 0.00 C ATOM 697 O GLY A 60 -4.084 14.074 1.408 1.00 0.00 O ATOM 0 H GLY A 60 -5.145 13.684 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.294 13.766 3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.890 12.157 3.544 1.00 0.00 H new ATOM 701 N ALA A 61 -1.997 13.241 1.263 1.00 0.00 N ATOM 702 CA ALA A 61 -1.865 13.514 -0.163 1.00 0.00 C ATOM 703 C ALA A 61 -2.649 12.514 -1.010 1.00 0.00 C ATOM 704 O ALA A 61 -3.036 12.817 -2.137 1.00 0.00 O ATOM 705 CB ALA A 61 -0.396 13.511 -0.564 1.00 0.00 C ATOM 0 H ALA A 61 -1.178 12.804 1.685 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.287 14.501 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.310 13.716 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.136 14.279 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.039 12.536 -0.346 1.00 0.00 H new ATOM 711 N ALA A 62 -2.873 11.319 -0.471 1.00 0.00 N ATOM 712 CA ALA A 62 -3.604 10.292 -1.200 1.00 0.00 C ATOM 713 C ALA A 62 -5.075 10.659 -1.353 1.00 0.00 C ATOM 714 O ALA A 62 -5.600 10.697 -2.466 1.00 0.00 O ATOM 715 CB ALA A 62 -3.462 8.945 -0.509 1.00 0.00 C ATOM 0 H ALA A 62 -2.561 11.041 0.460 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.172 10.222 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.015 8.190 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.409 8.667 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.861 9.012 0.503 1.00 0.00 H new ATOM 721 N ILE A 63 -5.737 10.925 -0.233 1.00 0.00 N ATOM 722 CA ILE A 63 -7.143 11.283 -0.260 1.00 0.00 C ATOM 723 C ILE A 63 -7.367 12.606 -0.989 1.00 0.00 C ATOM 724 O ILE A 63 -8.372 12.777 -1.679 1.00 0.00 O ATOM 725 CB ILE A 63 -7.732 11.348 1.165 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.135 10.749 1.158 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.749 12.775 1.702 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.660 10.431 2.536 1.00 0.00 C ATOM 0 H ILE A 63 -5.322 10.899 0.699 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.665 10.500 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.095 10.767 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.817 11.446 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.129 9.837 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.170 12.780 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.731 13.164 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.357 13.402 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.662 10.009 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.000 9.711 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.698 11.344 3.130 1.00 0.00 H new ATOM 740 N GLN A 64 -6.427 13.536 -0.842 1.00 0.00 N ATOM 741 CA GLN A 64 -6.542 14.828 -1.505 1.00 0.00 C ATOM 742 C GLN A 64 -6.325 14.673 -3.006 1.00 0.00 C ATOM 743 O GLN A 64 -6.957 15.357 -3.811 1.00 0.00 O ATOM 744 CB GLN A 64 -5.548 15.833 -0.911 1.00 0.00 C ATOM 745 CG GLN A 64 -4.158 15.767 -1.523 1.00 0.00 C ATOM 746 CD GLN A 64 -3.185 16.726 -0.863 1.00 0.00 C ATOM 747 OE1 GLN A 64 -3.386 17.147 0.276 1.00 0.00 O ATOM 748 NE2 GLN A 64 -2.123 17.077 -1.580 1.00 0.00 N ATOM 0 H GLN A 64 -5.587 13.420 -0.276 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.548 15.213 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.944 16.840 -1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.469 15.659 0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.775 14.750 -1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.222 15.995 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.997 16.703 -2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.434 17.720 -1.190 1.00 0.00 H new ATOM 757 N ASP A 65 -5.431 13.760 -3.376 1.00 0.00 N ATOM 758 CA ASP A 65 -5.137 13.504 -4.779 1.00 0.00 C ATOM 759 C ASP A 65 -6.303 12.789 -5.449 1.00 0.00 C ATOM 760 O ASP A 65 -6.581 13.000 -6.631 1.00 0.00 O ATOM 761 CB ASP A 65 -3.863 12.668 -4.913 1.00 0.00 C ATOM 762 CG ASP A 65 -2.608 13.519 -4.918 1.00 0.00 C ATOM 763 OD1 ASP A 65 -2.674 14.674 -4.448 1.00 0.00 O ATOM 764 OD2 ASP A 65 -1.563 13.029 -5.390 1.00 0.00 O ATOM 0 H ASP A 65 -4.899 13.186 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.984 14.462 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.812 11.955 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.908 12.088 -5.835 1.00 0.00 H new ATOM 769 N GLY A 66 -6.984 11.941 -4.685 1.00 0.00 N ATOM 770 CA GLY A 66 -8.113 11.201 -5.218 1.00 0.00 C ATOM 771 C GLY A 66 -7.701 10.227 -6.301 1.00 0.00 C ATOM 772 O GLY A 66 -8.117 10.355 -7.453 1.00 0.00 O ATOM 0 H GLY A 66 -6.774 11.753 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.602 10.657 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.846 11.900 -5.621 1.00 0.00 H new ATOM 776 N ARG A 67 -6.876 9.252 -5.934 1.00 0.00 N ATOM 777 CA ARG A 67 -6.405 8.255 -6.888 1.00 0.00 C ATOM 778 C ARG A 67 -6.301 6.878 -6.243 1.00 0.00 C ATOM 779 O ARG A 67 -6.775 5.886 -6.799 1.00 0.00 O ATOM 780 CB ARG A 67 -5.048 8.670 -7.457 1.00 0.00 C ATOM 781 CG ARG A 67 -5.060 10.035 -8.126 1.00 0.00 C ATOM 782 CD ARG A 67 -3.939 10.169 -9.146 1.00 0.00 C ATOM 783 NE ARG A 67 -4.433 10.606 -10.449 1.00 0.00 N ATOM 784 CZ ARG A 67 -3.742 10.492 -11.580 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.527 9.956 -11.573 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.266 10.915 -12.724 1.00 0.00 N ATOM 0 H ARG A 67 -6.521 9.131 -4.986 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.132 8.196 -7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.312 8.675 -6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.723 7.923 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.020 10.192 -8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.959 10.813 -7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.200 10.882 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.431 9.211 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.363 11.023 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.119 9.629 -10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.002 9.871 -12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.199 11.328 -12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.736 10.827 -13.591 1.00 0.00 H new ATOM 800 N LEU A 68 -5.676 6.820 -5.073 1.00 0.00 N ATOM 801 CA LEU A 68 -5.510 5.561 -4.361 1.00 0.00 C ATOM 802 C LEU A 68 -6.440 5.496 -3.149 1.00 0.00 C ATOM 803 O LEU A 68 -6.376 6.344 -2.258 1.00 0.00 O ATOM 804 CB LEU A 68 -4.042 5.386 -3.943 1.00 0.00 C ATOM 805 CG LEU A 68 -3.802 4.996 -2.484 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.334 3.596 -2.213 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.322 5.077 -2.149 1.00 0.00 C ATOM 0 H LEU A 68 -5.277 7.630 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.780 4.741 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.592 4.625 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.515 6.320 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.339 5.698 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.155 3.334 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.405 3.568 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.824 2.882 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.169 4.796 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.765 4.397 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.969 6.096 -2.306 1.00 0.00 H new ATOM 819 N LYS A 69 -7.303 4.486 -3.127 1.00 0.00 N ATOM 820 CA LYS A 69 -8.244 4.308 -2.031 1.00 0.00 C ATOM 821 C LYS A 69 -7.872 3.100 -1.178 1.00 0.00 C ATOM 822 O LYS A 69 -6.793 2.528 -1.333 1.00 0.00 O ATOM 823 CB LYS A 69 -9.658 4.141 -2.580 1.00 0.00 C ATOM 824 CG LYS A 69 -10.419 5.447 -2.682 1.00 0.00 C ATOM 825 CD LYS A 69 -11.629 5.298 -3.579 1.00 0.00 C ATOM 826 CE LYS A 69 -12.483 6.556 -3.582 1.00 0.00 C ATOM 827 NZ LYS A 69 -12.259 7.378 -4.803 1.00 0.00 N ATOM 0 H LYS A 69 -7.369 3.778 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.203 5.196 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.605 3.681 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.211 3.455 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.735 5.767 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.764 6.225 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.304 5.076 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.229 4.452 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.536 6.280 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.256 7.151 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.860 8.226 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.260 7.663 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.500 6.820 -5.647 1.00 0.00 H new ATOM 841 N ALA A 70 -8.773 2.716 -0.279 1.00 0.00 N ATOM 842 CA ALA A 70 -8.539 1.575 0.597 1.00 0.00 C ATOM 843 C ALA A 70 -8.921 0.270 -0.091 1.00 0.00 C ATOM 844 O ALA A 70 -9.736 0.259 -1.015 1.00 0.00 O ATOM 845 CB ALA A 70 -9.317 1.737 1.895 1.00 0.00 C ATOM 0 H ALA A 70 -9.671 3.179 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.474 1.537 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.133 0.877 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.994 2.646 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.382 1.803 1.675 1.00 0.00 H new ATOM 851 N GLY A 71 -8.326 -0.829 0.359 1.00 0.00 N ATOM 852 CA GLY A 71 -8.616 -2.124 -0.228 1.00 0.00 C ATOM 853 C GLY A 71 -7.703 -2.455 -1.395 1.00 0.00 C ATOM 854 O GLY A 71 -7.666 -3.596 -1.855 1.00 0.00 O ATOM 0 H GLY A 71 -7.647 -0.846 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.517 -2.895 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.652 -2.142 -0.566 1.00 0.00 H new ATOM 858 N ASP A 72 -6.963 -1.458 -1.875 1.00 0.00 N ATOM 859 CA ASP A 72 -6.049 -1.655 -2.993 1.00 0.00 C ATOM 860 C ASP A 72 -4.795 -2.398 -2.548 1.00 0.00 C ATOM 861 O ASP A 72 -4.474 -2.438 -1.359 1.00 0.00 O ATOM 862 CB ASP A 72 -5.668 -0.308 -3.609 1.00 0.00 C ATOM 863 CG ASP A 72 -6.832 0.349 -4.328 1.00 0.00 C ATOM 864 OD1 ASP A 72 -7.983 0.180 -3.871 1.00 0.00 O ATOM 865 OD2 ASP A 72 -6.592 1.032 -5.343 1.00 0.00 O ATOM 0 H ASP A 72 -6.980 -0.507 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.558 -2.259 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.306 0.358 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.846 -0.452 -4.310 1.00 0.00 H new ATOM 870 N ARG A 73 -4.088 -2.985 -3.508 1.00 0.00 N ATOM 871 CA ARG A 73 -2.866 -3.728 -3.213 1.00 0.00 C ATOM 872 C ARG A 73 -1.657 -3.084 -3.885 1.00 0.00 C ATOM 873 O ARG A 73 -1.603 -2.968 -5.110 1.00 0.00 O ATOM 874 CB ARG A 73 -3.005 -5.181 -3.674 1.00 0.00 C ATOM 875 CG ARG A 73 -2.006 -6.125 -3.026 1.00 0.00 C ATOM 876 CD ARG A 73 -0.676 -6.124 -3.767 1.00 0.00 C ATOM 877 NE ARG A 73 -0.240 -7.476 -4.110 1.00 0.00 N ATOM 878 CZ ARG A 73 0.984 -7.774 -4.541 1.00 0.00 C ATOM 879 NH1 ARG A 73 1.896 -6.819 -4.679 1.00 0.00 N ATOM 880 NH2 ARG A 73 1.298 -9.029 -4.830 1.00 0.00 N ATOM 0 H ARG A 73 -4.339 -2.961 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.711 -3.707 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.015 -5.528 -3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.882 -5.223 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.846 -5.831 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.415 -7.135 -3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.768 -5.531 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.083 -5.644 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.913 -8.236 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.660 -5.852 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.832 -7.052 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.602 -9.767 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.236 -9.257 -5.160 1.00 0.00 H new ATOM 894 N LEU A 74 -0.692 -2.665 -3.073 1.00 0.00 N ATOM 895 CA LEU A 74 0.519 -2.031 -3.582 1.00 0.00 C ATOM 896 C LEU A 74 1.401 -3.040 -4.308 1.00 0.00 C ATOM 897 O LEU A 74 1.943 -3.961 -3.696 1.00 0.00 O ATOM 898 CB LEU A 74 1.299 -1.389 -2.434 1.00 0.00 C ATOM 899 CG LEU A 74 0.863 0.032 -2.073 1.00 0.00 C ATOM 900 CD1 LEU A 74 -0.075 0.014 -0.876 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.077 0.907 -1.791 1.00 0.00 C ATOM 0 H LEU A 74 -0.725 -2.753 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 74 0.224 -1.259 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.200 -2.019 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.357 -1.373 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 74 0.326 0.454 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.375 1.033 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.959 -0.577 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.436 -0.427 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.748 1.914 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.642 0.488 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.711 0.946 -2.677 1.00 0.00 H new ATOM 913 N ILE A 75 1.542 -2.855 -5.614 1.00 0.00 N ATOM 914 CA ILE A 75 2.359 -3.743 -6.428 1.00 0.00 C ATOM 915 C ILE A 75 3.776 -3.199 -6.578 1.00 0.00 C ATOM 916 O ILE A 75 4.726 -3.960 -6.759 1.00 0.00 O ATOM 917 CB ILE A 75 1.747 -3.941 -7.825 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.317 -4.472 -7.690 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.609 -4.889 -8.651 1.00 0.00 C ATOM 920 CD1 ILE A 75 -0.189 -5.184 -8.924 1.00 0.00 C ATOM 0 H ILE A 75 1.100 -2.096 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 75 2.394 -4.704 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 75 1.713 -2.983 -8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.272 -5.157 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.350 -3.640 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.164 -5.020 -9.637 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.610 -4.471 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.670 -5.855 -8.150 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.208 -5.531 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.178 -4.497 -9.770 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.453 -6.038 -9.141 1.00 0.00 H new ATOM 932 N GLU A 76 3.911 -1.877 -6.508 1.00 0.00 N ATOM 933 CA GLU A 76 5.217 -1.240 -6.644 1.00 0.00 C ATOM 934 C GLU A 76 5.236 0.148 -6.009 1.00 0.00 C ATOM 935 O GLU A 76 4.188 0.732 -5.729 1.00 0.00 O ATOM 936 CB GLU A 76 5.603 -1.134 -8.121 1.00 0.00 C ATOM 937 CG GLU A 76 5.744 -2.480 -8.812 1.00 0.00 C ATOM 938 CD GLU A 76 6.294 -2.358 -10.220 1.00 0.00 C ATOM 939 OE1 GLU A 76 6.914 -1.318 -10.526 1.00 0.00 O ATOM 940 OE2 GLU A 76 6.107 -3.303 -11.015 1.00 0.00 O ATOM 0 H GLU A 76 3.137 -1.230 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 76 5.941 -1.863 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.850 -0.544 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.545 -0.592 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.402 -3.119 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.771 -2.970 -8.847 1.00 0.00 H new ATOM 947 N VAL A 77 6.440 0.669 -5.794 1.00 0.00 N ATOM 948 CA VAL A 77 6.619 1.988 -5.200 1.00 0.00 C ATOM 949 C VAL A 77 7.884 2.653 -5.737 1.00 0.00 C ATOM 950 O VAL A 77 8.981 2.109 -5.615 1.00 0.00 O ATOM 951 CB VAL A 77 6.707 1.908 -3.663 1.00 0.00 C ATOM 952 CG1 VAL A 77 6.860 3.297 -3.058 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.485 1.204 -3.094 1.00 0.00 C ATOM 0 H VAL A 77 7.312 0.193 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 77 5.747 2.584 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 77 7.590 1.326 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.920 3.217 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.770 3.761 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.000 3.909 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.565 1.157 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.586 1.756 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.427 0.193 -3.498 1.00 0.00 H new ATOM 963 N ASN A 78 7.724 3.829 -6.336 1.00 0.00 N ATOM 964 CA ASN A 78 8.856 4.561 -6.894 1.00 0.00 C ATOM 965 C ASN A 78 9.597 3.715 -7.924 1.00 0.00 C ATOM 966 O ASN A 78 10.809 3.849 -8.098 1.00 0.00 O ATOM 967 CB ASN A 78 9.814 4.987 -5.779 1.00 0.00 C ATOM 968 CG ASN A 78 10.226 6.442 -5.896 1.00 0.00 C ATOM 969 OD1 ASN A 78 9.818 7.252 -4.927 1.00 0.00 O flip ATOM 970 ND2 ASN A 78 10.903 6.833 -6.847 1.00 0.00 N flip ATOM 0 H ASN A 78 6.823 4.295 -6.447 1.00 0.00 H new ATOM 0 HA ASN A 78 8.472 5.451 -7.392 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.338 4.824 -4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.703 4.357 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.195 6.175 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.172 7.815 -6.912 1.00 0.00 H new ATOM 977 N GLY A 79 8.860 2.842 -8.604 1.00 0.00 N ATOM 978 CA GLY A 79 9.461 1.986 -9.609 1.00 0.00 C ATOM 979 C GLY A 79 10.102 0.743 -9.015 1.00 0.00 C ATOM 980 O GLY A 79 10.897 0.073 -9.674 1.00 0.00 O ATOM 0 H GLY A 79 7.856 2.713 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.699 1.688 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.214 2.551 -10.158 1.00 0.00 H new ATOM 984 N VAL A 80 9.758 0.434 -7.769 1.00 0.00 N ATOM 985 CA VAL A 80 10.307 -0.735 -7.093 1.00 0.00 C ATOM 986 C VAL A 80 9.257 -1.830 -6.942 1.00 0.00 C ATOM 987 O VAL A 80 8.066 -1.551 -6.808 1.00 0.00 O ATOM 988 CB VAL A 80 10.860 -0.375 -5.698 1.00 0.00 C ATOM 989 CG1 VAL A 80 11.331 -1.622 -4.962 1.00 0.00 C ATOM 990 CG2 VAL A 80 11.989 0.636 -5.820 1.00 0.00 C ATOM 0 H VAL A 80 9.102 0.977 -7.207 1.00 0.00 H new ATOM 0 HA VAL A 80 11.123 -1.101 -7.716 1.00 0.00 H new ATOM 0 HB VAL A 80 10.055 0.075 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.716 -1.342 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.495 -2.310 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.120 -2.108 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.368 0.880 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.793 0.213 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.616 1.542 -6.298 1.00 0.00 H new ATOM 1000 N ASP A 81 9.714 -3.077 -6.951 1.00 0.00 N ATOM 1001 CA ASP A 81 8.824 -4.218 -6.802 1.00 0.00 C ATOM 1002 C ASP A 81 8.697 -4.604 -5.333 1.00 0.00 C ATOM 1003 O ASP A 81 9.681 -4.983 -4.694 1.00 0.00 O ATOM 1004 CB ASP A 81 9.341 -5.406 -7.618 1.00 0.00 C ATOM 1005 CG ASP A 81 8.335 -5.879 -8.651 1.00 0.00 C ATOM 1006 OD1 ASP A 81 8.247 -5.249 -9.725 1.00 0.00 O ATOM 1007 OD2 ASP A 81 7.637 -6.881 -8.385 1.00 0.00 O ATOM 0 H ASP A 81 10.698 -3.322 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 81 7.839 -3.940 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.267 -5.124 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.581 -6.229 -6.945 1.00 0.00 H new ATOM 1012 N LEU A 82 7.483 -4.509 -4.801 1.00 0.00 N ATOM 1013 CA LEU A 82 7.233 -4.849 -3.406 1.00 0.00 C ATOM 1014 C LEU A 82 6.937 -6.339 -3.245 1.00 0.00 C ATOM 1015 O LEU A 82 6.399 -6.765 -2.224 1.00 0.00 O ATOM 1016 CB LEU A 82 6.064 -4.029 -2.857 1.00 0.00 C ATOM 1017 CG LEU A 82 6.012 -2.573 -3.325 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.571 -2.099 -3.425 1.00 0.00 C ATOM 1019 CD2 LEU A 82 6.803 -1.681 -2.380 1.00 0.00 C ATOM 0 H LEU A 82 6.658 -4.200 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 82 8.135 -4.613 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.133 -4.519 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.112 -4.042 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 82 6.465 -2.512 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.552 -1.062 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.032 -2.721 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.095 -2.174 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.755 -0.649 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.379 -1.746 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.843 -2.008 -2.356 1.00 0.00 H new ATOM 1031 N ALA A 83 7.291 -7.128 -4.256 1.00 0.00 N ATOM 1032 CA ALA A 83 7.059 -8.565 -4.214 1.00 0.00 C ATOM 1033 C ALA A 83 8.291 -9.299 -3.700 1.00 0.00 C ATOM 1034 O ALA A 83 9.172 -9.673 -4.473 1.00 0.00 O ATOM 1035 CB ALA A 83 6.669 -9.081 -5.589 1.00 0.00 C ATOM 0 H ALA A 83 7.738 -6.796 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 83 6.237 -8.756 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.499 -10.157 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.756 -8.585 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.471 -8.873 -6.297 1.00 0.00 H new ATOM 1041 N GLY A 84 8.348 -9.497 -2.387 1.00 0.00 N ATOM 1042 CA GLY A 84 9.477 -10.181 -1.786 1.00 0.00 C ATOM 1043 C GLY A 84 10.280 -9.281 -0.864 1.00 0.00 C ATOM 1044 O GLY A 84 11.325 -9.684 -0.352 1.00 0.00 O ATOM 0 H GLY A 84 7.631 -9.195 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.118 -11.043 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.128 -10.562 -2.573 1.00 0.00 H new ATOM 1048 N LYS A 85 9.795 -8.060 -0.649 1.00 0.00 N ATOM 1049 CA LYS A 85 10.479 -7.110 0.218 1.00 0.00 C ATOM 1050 C LYS A 85 10.062 -7.306 1.676 1.00 0.00 C ATOM 1051 O LYS A 85 10.623 -8.148 2.378 1.00 0.00 O ATOM 1052 CB LYS A 85 10.198 -5.676 -0.241 1.00 0.00 C ATOM 1053 CG LYS A 85 10.875 -5.314 -1.554 1.00 0.00 C ATOM 1054 CD LYS A 85 11.364 -3.876 -1.552 1.00 0.00 C ATOM 1055 CE LYS A 85 12.263 -3.592 -2.744 1.00 0.00 C ATOM 1056 NZ LYS A 85 13.454 -4.489 -2.770 1.00 0.00 N ATOM 0 H LYS A 85 8.932 -7.708 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 85 11.552 -7.291 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.122 -5.542 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.530 -4.984 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.716 -5.985 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.176 -5.460 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.509 -3.200 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.908 -3.677 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.694 -3.717 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.592 -2.553 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.303 -3.932 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.572 -4.937 -1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.319 -5.224 -3.493 1.00 0.00 H new ATOM 1070 N SER A 86 9.074 -6.531 2.131 1.00 0.00 N ATOM 1071 CA SER A 86 8.583 -6.623 3.503 1.00 0.00 C ATOM 1072 C SER A 86 7.714 -5.416 3.841 1.00 0.00 C ATOM 1073 O SER A 86 7.728 -4.413 3.130 1.00 0.00 O ATOM 1074 CB SER A 86 9.747 -6.718 4.497 1.00 0.00 C ATOM 1075 OG SER A 86 9.768 -7.981 5.138 1.00 0.00 O ATOM 0 H SER A 86 8.598 -5.830 1.563 1.00 0.00 H new ATOM 0 HA SER A 86 7.982 -7.529 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.690 -6.556 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.657 -5.929 5.244 1.00 0.00 H new ATOM 0 HG SER A 86 10.086 -8.662 4.509 1.00 0.00 H new ATOM 1081 N GLN A 87 6.971 -5.515 4.935 1.00 0.00 N ATOM 1082 CA GLN A 87 6.107 -4.425 5.368 1.00 0.00 C ATOM 1083 C GLN A 87 6.953 -3.256 5.840 1.00 0.00 C ATOM 1084 O GLN A 87 6.812 -2.136 5.355 1.00 0.00 O ATOM 1085 CB GLN A 87 5.173 -4.889 6.487 1.00 0.00 C ATOM 1086 CG GLN A 87 4.254 -3.794 7.008 1.00 0.00 C ATOM 1087 CD GLN A 87 2.851 -3.894 6.444 1.00 0.00 C ATOM 1088 OE1 GLN A 87 1.952 -4.445 7.080 1.00 0.00 O ATOM 1089 NE2 GLN A 87 2.655 -3.361 5.244 1.00 0.00 N ATOM 0 H GLN A 87 6.949 -6.337 5.538 1.00 0.00 H new ATOM 0 HA GLN A 87 5.496 -4.106 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.566 -5.718 6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.772 -5.272 7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.209 -3.849 8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.675 -2.821 6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.429 -2.914 4.752 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.731 -3.399 4.814 1.00 0.00 H new ATOM 1098 N GLU A 88 7.850 -3.533 6.775 1.00 0.00 N ATOM 1099 CA GLU A 88 8.741 -2.510 7.296 1.00 0.00 C ATOM 1100 C GLU A 88 9.628 -1.987 6.177 1.00 0.00 C ATOM 1101 O GLU A 88 10.022 -0.820 6.173 1.00 0.00 O ATOM 1102 CB GLU A 88 9.596 -3.066 8.436 1.00 0.00 C ATOM 1103 CG GLU A 88 8.809 -3.348 9.705 1.00 0.00 C ATOM 1104 CD GLU A 88 9.646 -4.022 10.774 1.00 0.00 C ATOM 1105 OE1 GLU A 88 9.811 -5.259 10.706 1.00 0.00 O ATOM 1106 OE2 GLU A 88 10.139 -3.313 11.676 1.00 0.00 O ATOM 0 H GLU A 88 7.979 -4.457 7.187 1.00 0.00 H new ATOM 0 HA GLU A 88 8.141 -1.690 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.075 -3.987 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.392 -2.356 8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.412 -2.412 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.955 -3.981 9.465 1.00 0.00 H new ATOM 1113 N GLU A 89 9.924 -2.857 5.215 1.00 0.00 N ATOM 1114 CA GLU A 89 10.748 -2.473 4.076 1.00 0.00 C ATOM 1115 C GLU A 89 9.963 -1.536 3.172 1.00 0.00 C ATOM 1116 O GLU A 89 10.415 -0.438 2.844 1.00 0.00 O ATOM 1117 CB GLU A 89 11.190 -3.709 3.293 1.00 0.00 C ATOM 1118 CG GLU A 89 12.385 -4.420 3.904 1.00 0.00 C ATOM 1119 CD GLU A 89 13.704 -3.961 3.312 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.762 -2.822 2.801 1.00 0.00 O ATOM 1121 OE2 GLU A 89 14.678 -4.741 3.357 1.00 0.00 O ATOM 0 H GLU A 89 9.607 -3.826 5.202 1.00 0.00 H new ATOM 0 HA GLU A 89 11.638 -1.961 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.355 -4.407 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.436 -3.414 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.394 -4.247 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.279 -5.495 3.755 1.00 0.00 H new ATOM 1128 N VAL A 90 8.772 -1.978 2.790 1.00 0.00 N ATOM 1129 CA VAL A 90 7.894 -1.187 1.940 1.00 0.00 C ATOM 1130 C VAL A 90 7.583 0.153 2.599 1.00 0.00 C ATOM 1131 O VAL A 90 7.642 1.209 1.960 1.00 0.00 O ATOM 1132 CB VAL A 90 6.580 -1.945 1.645 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.601 -1.067 0.880 1.00 0.00 C ATOM 1134 CG2 VAL A 90 6.871 -3.222 0.871 1.00 0.00 C ATOM 0 H VAL A 90 8.391 -2.885 3.058 1.00 0.00 H new ATOM 0 HA VAL A 90 8.410 -1.009 0.996 1.00 0.00 H new ATOM 0 HB VAL A 90 6.119 -2.210 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.686 -1.626 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.367 -0.182 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.048 -0.763 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.937 -3.746 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.358 -2.973 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.527 -3.863 1.460 1.00 0.00 H new ATOM 1144 N VAL A 91 7.278 0.107 3.892 1.00 0.00 N ATOM 1145 CA VAL A 91 6.986 1.315 4.646 1.00 0.00 C ATOM 1146 C VAL A 91 8.213 2.215 4.675 1.00 0.00 C ATOM 1147 O VAL A 91 8.099 3.440 4.684 1.00 0.00 O ATOM 1148 CB VAL A 91 6.550 0.993 6.090 1.00 0.00 C ATOM 1149 CG1 VAL A 91 6.203 2.267 6.844 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.370 0.032 6.088 1.00 0.00 C ATOM 0 H VAL A 91 7.227 -0.754 4.436 1.00 0.00 H new ATOM 0 HA VAL A 91 6.161 1.826 4.149 1.00 0.00 H new ATOM 0 HB VAL A 91 7.384 0.513 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.898 2.017 7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.076 2.919 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.386 2.779 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.075 -0.184 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.532 0.485 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.656 -0.894 5.590 1.00 0.00 H new ATOM 1160 N SER A 92 9.389 1.592 4.673 1.00 0.00 N ATOM 1161 CA SER A 92 10.645 2.329 4.682 1.00 0.00 C ATOM 1162 C SER A 92 10.804 3.111 3.384 1.00 0.00 C ATOM 1163 O SER A 92 11.360 4.209 3.372 1.00 0.00 O ATOM 1164 CB SER A 92 11.824 1.372 4.871 1.00 0.00 C ATOM 1165 OG SER A 92 12.278 1.381 6.214 1.00 0.00 O ATOM 0 H SER A 92 9.496 0.578 4.665 1.00 0.00 H new ATOM 0 HA SER A 92 10.631 3.031 5.516 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.525 0.362 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.639 1.658 4.206 1.00 0.00 H new ATOM 0 HG SER A 92 13.030 0.760 6.309 1.00 0.00 H new ATOM 1171 N LEU A 93 10.299 2.543 2.291 1.00 0.00 N ATOM 1172 CA LEU A 93 10.374 3.199 0.990 1.00 0.00 C ATOM 1173 C LEU A 93 9.556 4.480 1.007 1.00 0.00 C ATOM 1174 O LEU A 93 10.046 5.554 0.656 1.00 0.00 O ATOM 1175 CB LEU A 93 9.865 2.282 -0.125 1.00 0.00 C ATOM 1176 CG LEU A 93 10.179 0.803 0.062 1.00 0.00 C ATOM 1177 CD1 LEU A 93 9.557 -0.022 -1.055 1.00 0.00 C ATOM 1178 CD2 LEU A 93 11.682 0.580 0.122 1.00 0.00 C ATOM 0 H LEU A 93 9.836 1.634 2.281 1.00 0.00 H new ATOM 0 HA LEU A 93 11.420 3.433 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.785 2.401 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.295 2.612 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 93 9.747 0.477 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.792 -1.075 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.475 0.113 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.957 0.305 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.887 -0.482 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.138 0.924 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.100 1.139 0.960 1.00 0.00 H new ATOM 1190 N LEU A 94 8.303 4.357 1.436 1.00 0.00 N ATOM 1191 CA LEU A 94 7.409 5.511 1.519 1.00 0.00 C ATOM 1192 C LEU A 94 7.918 6.486 2.571 1.00 0.00 C ATOM 1193 O LEU A 94 7.930 7.699 2.364 1.00 0.00 O ATOM 1194 CB LEU A 94 5.968 5.093 1.856 1.00 0.00 C ATOM 1195 CG LEU A 94 5.686 3.590 1.830 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.267 3.310 2.301 1.00 0.00 C ATOM 1197 CD2 LEU A 94 5.907 3.032 0.432 1.00 0.00 C ATOM 0 H LEU A 94 7.884 3.475 1.731 1.00 0.00 H new ATOM 0 HA LEU A 94 7.399 5.993 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.723 5.472 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.294 5.582 1.152 1.00 0.00 H new ATOM 0 HG LEU A 94 6.379 3.094 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.081 2.236 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.143 3.677 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.559 3.816 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.702 1.961 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.237 3.530 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.940 3.204 0.131 1.00 0.00 H new ATOM 1209 N ARG A 95 8.343 5.939 3.701 1.00 0.00 N ATOM 1210 CA ARG A 95 8.867 6.748 4.795 1.00 0.00 C ATOM 1211 C ARG A 95 10.178 7.415 4.390 1.00 0.00 C ATOM 1212 O ARG A 95 10.502 8.506 4.856 1.00 0.00 O ATOM 1213 CB ARG A 95 9.083 5.886 6.040 1.00 0.00 C ATOM 1214 CG ARG A 95 7.838 5.738 6.898 1.00 0.00 C ATOM 1215 CD ARG A 95 8.181 5.738 8.379 1.00 0.00 C ATOM 1216 NE ARG A 95 7.935 7.038 9.000 1.00 0.00 N ATOM 1217 CZ ARG A 95 6.733 7.462 9.381 1.00 0.00 C ATOM 1218 NH1 ARG A 95 5.664 6.694 9.209 1.00 0.00 N ATOM 1219 NH2 ARG A 95 6.599 8.659 9.938 1.00 0.00 N ATOM 0 H ARG A 95 8.336 4.936 3.886 1.00 0.00 H new ATOM 0 HA ARG A 95 8.137 7.524 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.423 4.897 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.879 6.324 6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.147 6.553 6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.326 4.811 6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.590 4.976 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.229 5.468 8.508 1.00 0.00 H new ATOM 0 HE ARG A 95 8.732 7.657 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.761 5.773 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.745 7.025 9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.417 9.253 10.074 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.678 8.985 10.231 1.00 0.00 H new ATOM 1233 N SER A 96 10.929 6.745 3.520 1.00 0.00 N ATOM 1234 CA SER A 96 12.209 7.267 3.050 1.00 0.00 C ATOM 1235 C SER A 96 12.020 8.577 2.294 1.00 0.00 C ATOM 1236 O SER A 96 12.817 9.505 2.433 1.00 0.00 O ATOM 1237 CB SER A 96 12.899 6.240 2.150 1.00 0.00 C ATOM 1238 OG SER A 96 13.715 5.363 2.907 1.00 0.00 O ATOM 0 H SER A 96 10.673 5.839 3.126 1.00 0.00 H new ATOM 0 HA SER A 96 12.836 7.460 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.148 5.665 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.506 6.755 1.405 1.00 0.00 H new ATOM 0 HG SER A 96 13.161 4.653 3.294 1.00 0.00 H new ATOM 1244 N THR A 97 10.960 8.649 1.496 1.00 0.00 N ATOM 1245 CA THR A 97 10.666 9.850 0.720 1.00 0.00 C ATOM 1246 C THR A 97 10.552 11.064 1.637 1.00 0.00 C ATOM 1247 O THR A 97 9.874 11.018 2.664 1.00 0.00 O ATOM 1248 CB THR A 97 9.371 9.669 -0.080 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.768 8.419 0.209 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.574 9.738 -1.578 1.00 0.00 C ATOM 0 H THR A 97 10.290 7.891 1.369 1.00 0.00 H new ATOM 0 HA THR A 97 11.487 10.016 0.022 1.00 0.00 H new ATOM 0 HB THR A 97 8.732 10.498 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.352 8.454 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.617 9.602 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.989 10.710 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.262 8.952 -1.889 1.00 0.00 H new ATOM 1258 N LYS A 98 11.227 12.147 1.267 1.00 0.00 N ATOM 1259 CA LYS A 98 11.206 13.370 2.062 1.00 0.00 C ATOM 1260 C LYS A 98 10.301 14.424 1.430 1.00 0.00 C ATOM 1261 O LYS A 98 9.612 14.154 0.447 1.00 0.00 O ATOM 1262 CB LYS A 98 12.623 13.926 2.216 1.00 0.00 C ATOM 1263 CG LYS A 98 13.627 12.904 2.724 1.00 0.00 C ATOM 1264 CD LYS A 98 14.398 12.264 1.580 1.00 0.00 C ATOM 1265 CE LYS A 98 15.440 13.212 1.011 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.073 12.667 -0.222 1.00 0.00 N ATOM 0 H LYS A 98 11.795 12.203 0.422 1.00 0.00 H new ATOM 0 HA LYS A 98 10.808 13.123 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.961 14.307 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.599 14.772 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.324 13.387 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.107 12.132 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.886 11.355 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.704 11.969 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.974 14.171 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.208 13.399 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.778 13.344 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.540 11.764 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.344 12.512 -0.947 1.00 0.00 H new ATOM 1280 N MET A 99 10.314 15.625 2.002 1.00 0.00 N ATOM 1281 CA MET A 99 9.498 16.724 1.496 1.00 0.00 C ATOM 1282 C MET A 99 9.798 16.987 0.025 1.00 0.00 C ATOM 1283 O MET A 99 10.918 16.770 -0.438 1.00 0.00 O ATOM 1284 CB MET A 99 9.747 17.991 2.315 1.00 0.00 C ATOM 1285 CG MET A 99 9.505 17.811 3.806 1.00 0.00 C ATOM 1286 SD MET A 99 7.785 17.426 4.187 1.00 0.00 S ATOM 1287 CE MET A 99 7.989 16.240 5.514 1.00 0.00 C ATOM 0 H MET A 99 10.881 15.862 2.816 1.00 0.00 H new ATOM 0 HA MET A 99 8.450 16.441 1.590 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.775 18.318 2.159 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.100 18.786 1.944 1.00 0.00 H new ATOM 0 HG2 MET A 99 10.144 17.011 4.180 1.00 0.00 H new ATOM 0 HG3 MET A 99 9.794 18.722 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.633 15.263 5.187 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.043 16.171 5.781 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.415 16.563 6.382 1.00 0.00 H new ATOM 1297 N GLU A 100 8.791 17.450 -0.710 1.00 0.00 N ATOM 1298 CA GLU A 100 8.953 17.732 -2.133 1.00 0.00 C ATOM 1299 C GLU A 100 9.455 16.494 -2.869 1.00 0.00 C ATOM 1300 O GLU A 100 10.638 16.384 -3.189 1.00 0.00 O ATOM 1301 CB GLU A 100 9.926 18.894 -2.337 1.00 0.00 C ATOM 1302 CG GLU A 100 9.256 20.258 -2.335 1.00 0.00 C ATOM 1303 CD GLU A 100 9.078 20.817 -0.937 1.00 0.00 C ATOM 1304 OE1 GLU A 100 9.783 20.352 -0.017 1.00 0.00 O ATOM 1305 OE2 GLU A 100 8.235 21.722 -0.763 1.00 0.00 O ATOM 0 H GLU A 100 7.857 17.637 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 100 7.981 18.011 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.680 18.868 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.449 18.757 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.852 20.953 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.282 20.181 -2.819 1.00 0.00 H new ATOM 1312 N GLY A 101 8.546 15.560 -3.129 1.00 0.00 N ATOM 1313 CA GLY A 101 8.909 14.341 -3.815 1.00 0.00 C ATOM 1314 C GLY A 101 7.702 13.485 -4.131 1.00 0.00 C ATOM 1315 O GLY A 101 7.153 12.821 -3.251 1.00 0.00 O ATOM 0 H GLY A 101 7.561 15.630 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.430 14.587 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.605 13.772 -3.199 1.00 0.00 H new ATOM 1319 N THR A 102 7.285 13.508 -5.388 1.00 0.00 N ATOM 1320 CA THR A 102 6.132 12.733 -5.825 1.00 0.00 C ATOM 1321 C THR A 102 6.460 11.244 -5.844 1.00 0.00 C ATOM 1322 O THR A 102 7.265 10.784 -6.654 1.00 0.00 O ATOM 1323 CB THR A 102 5.684 13.185 -7.216 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.422 14.576 -7.232 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.436 12.478 -7.700 1.00 0.00 C ATOM 0 H THR A 102 7.728 14.056 -6.125 1.00 0.00 H new ATOM 0 HA THR A 102 5.320 12.902 -5.118 1.00 0.00 H new ATOM 0 HB THR A 102 6.509 12.932 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.460 14.726 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.172 12.844 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.621 11.405 -7.747 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.615 12.675 -7.010 1.00 0.00 H new ATOM 1333 N VAL A 103 5.830 10.496 -4.946 1.00 0.00 N ATOM 1334 CA VAL A 103 6.052 9.059 -4.854 1.00 0.00 C ATOM 1335 C VAL A 103 5.008 8.292 -5.656 1.00 0.00 C ATOM 1336 O VAL A 103 3.824 8.297 -5.318 1.00 0.00 O ATOM 1337 CB VAL A 103 6.012 8.578 -3.389 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.537 7.154 -3.273 1.00 0.00 C ATOM 1339 CG2 VAL A 103 6.799 9.518 -2.494 1.00 0.00 C ATOM 0 H VAL A 103 5.160 10.862 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 103 7.042 8.863 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 103 4.974 8.583 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.499 6.836 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.921 6.489 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.567 7.116 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.758 9.160 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.837 9.552 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.368 10.518 -2.548 1.00 0.00 H new ATOM 1349 N SER A 104 5.451 7.633 -6.721 1.00 0.00 N ATOM 1350 CA SER A 104 4.553 6.861 -7.571 1.00 0.00 C ATOM 1351 C SER A 104 4.351 5.462 -7.002 1.00 0.00 C ATOM 1352 O SER A 104 5.227 4.606 -7.109 1.00 0.00 O ATOM 1353 CB SER A 104 5.110 6.772 -8.994 1.00 0.00 C ATOM 1354 OG SER A 104 4.590 7.807 -9.811 1.00 0.00 O ATOM 0 H SER A 104 6.427 7.618 -7.016 1.00 0.00 H new ATOM 0 HA SER A 104 3.589 7.369 -7.602 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.198 6.838 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.860 5.803 -9.426 1.00 0.00 H new ATOM 0 HG SER A 104 4.962 7.729 -10.714 1.00 0.00 H new ATOM 1360 N LEU A 105 3.192 5.240 -6.391 1.00 0.00 N ATOM 1361 CA LEU A 105 2.882 3.946 -5.799 1.00 0.00 C ATOM 1362 C LEU A 105 1.910 3.159 -6.669 1.00 0.00 C ATOM 1363 O LEU A 105 0.776 3.586 -6.893 1.00 0.00 O ATOM 1364 CB LEU A 105 2.296 4.130 -4.399 1.00 0.00 C ATOM 1365 CG LEU A 105 3.091 5.062 -3.480 1.00 0.00 C ATOM 1366 CD1 LEU A 105 2.310 6.338 -3.205 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.440 4.360 -2.176 1.00 0.00 C ATOM 0 H LEU A 105 2.455 5.938 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 105 3.811 3.380 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.282 4.518 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.220 3.153 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 105 4.019 5.329 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.892 6.987 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.113 6.854 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.365 6.089 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.005 5.039 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.524 4.061 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.042 3.477 -2.388 1.00 0.00 H new ATOM 1379 N LEU A 106 2.358 2.005 -7.147 1.00 0.00 N ATOM 1380 CA LEU A 106 1.523 1.150 -7.982 1.00 0.00 C ATOM 1381 C LEU A 106 0.574 0.336 -7.111 1.00 0.00 C ATOM 1382 O LEU A 106 1.001 -0.331 -6.169 1.00 0.00 O ATOM 1383 CB LEU A 106 2.389 0.215 -8.827 1.00 0.00 C ATOM 1384 CG LEU A 106 1.635 -0.573 -9.900 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.208 0.344 -11.036 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.496 -1.713 -10.425 1.00 0.00 C ATOM 0 H LEU A 106 3.294 1.640 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 106 0.939 1.782 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.168 0.804 -9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.889 -0.491 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 106 0.738 -0.998 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.673 -0.235 -11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.555 1.125 -10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.090 0.800 -11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.945 -2.264 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.410 -1.308 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.750 -2.385 -9.605 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.715 0.401 -7.422 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.717 -0.325 -6.653 1.00 0.00 C ATOM 1400 C VAL A 107 -2.518 -1.276 -7.539 1.00 0.00 C ATOM 1401 O VAL A 107 -2.374 -1.271 -8.762 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.683 0.644 -5.936 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.905 1.738 -5.221 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.677 1.251 -6.919 1.00 0.00 C ATOM 0 H VAL A 107 -1.089 0.947 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.180 -0.909 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.245 0.076 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.601 2.412 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.241 1.289 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.315 2.298 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.345 1.929 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.137 1.802 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.261 0.456 -7.384 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.364 -2.085 -6.912 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.193 -3.038 -7.638 1.00 0.00 C ATOM 1416 C PHE A 108 -5.631 -2.999 -7.131 1.00 0.00 C ATOM 1417 O PHE A 108 -5.878 -3.091 -5.929 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.629 -4.452 -7.496 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.376 -5.480 -8.297 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.605 -5.954 -7.864 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -3.852 -5.974 -9.480 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.296 -6.901 -8.599 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.538 -6.920 -10.218 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.761 -7.383 -9.776 1.00 0.00 C ATOM 0 H PHE A 108 -3.494 -2.099 -5.900 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.187 -2.758 -8.692 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.584 -4.450 -7.807 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.649 -4.738 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -6.027 -5.580 -6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.895 -5.615 -9.830 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.253 -7.262 -8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.118 -7.296 -11.139 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.299 -8.122 -10.351 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.575 -2.863 -8.055 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.990 -2.811 -7.700 1.00 0.00 C ATOM 1436 C ARG A 109 -8.744 -3.994 -8.301 1.00 0.00 C ATOM 1437 O ARG A 109 -8.844 -4.123 -9.521 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.608 -1.495 -8.177 1.00 0.00 C ATOM 1439 CG ARG A 109 -9.397 -0.770 -7.099 1.00 0.00 C ATOM 1440 CD ARG A 109 -10.484 0.106 -7.701 1.00 0.00 C ATOM 1441 NE ARG A 109 -10.603 1.384 -7.003 1.00 0.00 N ATOM 1442 CZ ARG A 109 -11.093 1.513 -5.772 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -11.509 0.447 -5.100 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -11.167 2.712 -5.210 1.00 0.00 N ATOM 0 H ARG A 109 -6.388 -2.787 -9.055 1.00 0.00 H new ATOM 0 HA ARG A 109 -8.072 -2.867 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.815 -0.840 -8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.265 -1.697 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.847 -1.498 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.722 -0.156 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.264 0.286 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.438 -0.420 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.293 2.226 -7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.454 -0.478 -5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.883 0.553 -4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.848 3.535 -5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.542 2.811 -4.267 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.274 -4.852 -7.437 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.021 -6.022 -7.883 1.00 0.00 C ATOM 1460 C GLN A 110 -11.458 -5.650 -8.231 1.00 0.00 C ATOM 1461 O GLN A 110 -12.094 -4.864 -7.529 1.00 0.00 O ATOM 1462 CB GLN A 110 -10.009 -7.103 -6.801 1.00 0.00 C ATOM 1463 CG GLN A 110 -10.471 -6.606 -5.441 1.00 0.00 C ATOM 1464 CD GLN A 110 -11.636 -7.406 -4.891 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -12.797 -7.085 -5.142 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -11.330 -8.454 -4.135 1.00 0.00 N ATOM 0 H GLN A 110 -9.200 -4.759 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 110 -9.538 -6.410 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -10.650 -7.927 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -8.999 -7.502 -6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -9.639 -6.654 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -10.760 -5.558 -5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -10.353 -8.684 -3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -12.072 -9.029 -3.737 1.00 0.00 H new ATOM 1475 N GLU A 111 -11.964 -6.219 -9.320 1.00 0.00 N ATOM 1476 CA GLU A 111 -13.327 -5.947 -9.762 1.00 0.00 C ATOM 1477 C GLU A 111 -14.319 -6.875 -9.071 1.00 0.00 C ATOM 1478 O GLU A 111 -14.009 -8.031 -8.784 1.00 0.00 O ATOM 1479 CB GLU A 111 -13.434 -6.109 -11.280 1.00 0.00 C ATOM 1480 CG GLU A 111 -13.053 -7.495 -11.775 1.00 0.00 C ATOM 1481 CD GLU A 111 -14.059 -8.063 -12.756 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -14.786 -7.266 -13.388 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -14.123 -9.302 -12.893 1.00 0.00 O ATOM 0 H GLU A 111 -11.451 -6.871 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.571 -4.919 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.456 -5.891 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.792 -5.372 -11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.073 -7.450 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.963 -8.169 -10.923 1.00 0.00 H new ATOM 1490 N GLU A 112 -15.515 -6.360 -8.806 1.00 0.00 N ATOM 1491 CA GLU A 112 -16.558 -7.142 -8.148 1.00 0.00 C ATOM 1492 C GLU A 112 -17.050 -8.267 -9.054 1.00 0.00 C ATOM 1493 O GLU A 112 -17.537 -9.292 -8.577 1.00 0.00 O ATOM 1494 CB GLU A 112 -17.728 -6.240 -7.753 1.00 0.00 C ATOM 1495 CG GLU A 112 -17.360 -5.183 -6.724 1.00 0.00 C ATOM 1496 CD GLU A 112 -18.160 -3.905 -6.889 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -17.914 -3.176 -7.872 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -19.032 -3.636 -6.036 1.00 0.00 O ATOM 0 H GLU A 112 -15.787 -5.404 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 112 -16.131 -7.586 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -18.114 -5.748 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -18.534 -6.857 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -17.523 -5.583 -5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -16.297 -4.955 -6.807 1.00 0.00 H new ATOM 1505 N ALA A 113 -16.920 -8.069 -10.363 1.00 0.00 N ATOM 1506 CA ALA A 113 -17.353 -9.066 -11.335 1.00 0.00 C ATOM 1507 C ALA A 113 -18.866 -9.260 -11.288 1.00 0.00 C ATOM 1508 O ALA A 113 -19.487 -9.114 -10.236 1.00 0.00 O ATOM 1509 CB ALA A 113 -16.643 -10.389 -11.088 1.00 0.00 C ATOM 0 H ALA A 113 -16.518 -7.227 -10.774 1.00 0.00 H new ATOM 0 HA ALA A 113 -17.090 -8.704 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -16.976 -11.123 -11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -15.566 -10.247 -11.181 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -16.877 -10.746 -10.085 1.00 0.00 H new TER 1515 ALA A 113