USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 677 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 24 GLN : amide:sc= -3.72! C(o=-3.3!,f=-4.7!) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.435 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= -0.0418 (180deg=-0.412) USER MOD Single : A 2 GLN : amide:sc= 0.435 K(o=0.44,f=-0.48) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.543 USER MOD Single : A 7 THR OG1 : rot -104:sc= 1.19 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.57 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.397 USER MOD Single : A 36 SER OG : rot 140:sc= -1.12 USER MOD Single : A 38 ASN : amide:sc= -0.0792 K(o=-0.079,f=-2.9!) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -3.27 F(o=-4.3!,f=-3.3) USER MOD Single : A 53 THR OG1 : rot -86:sc= 1.72 USER MOD Single : A 57 SER OG : rot 70:sc= 0.0914 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -1.87! C(o=-1.9!,f=-2.9!) USER MOD Single : A 79 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.49) USER MOD Single : A 80 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.38) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 83 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.827 -19.437 -9.403 1.00 0.00 N ATOM 2 CA MET A 1 -19.540 -18.100 -10.000 1.00 0.00 C ATOM 3 C MET A 1 -18.032 -17.919 -10.132 1.00 0.00 C ATOM 4 O MET A 1 -17.266 -18.390 -9.292 1.00 0.00 O ATOM 5 CB MET A 1 -20.118 -17.008 -9.099 1.00 0.00 C ATOM 6 CG MET A 1 -21.645 -17.083 -9.121 1.00 0.00 C ATOM 7 SD MET A 1 -22.326 -15.810 -8.031 1.00 0.00 S ATOM 8 CE MET A 1 -24.056 -15.992 -8.524 1.00 0.00 C ATOM 0 H1 MET A 1 -20.497 -19.951 -10.009 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.943 -19.980 -9.326 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.241 -19.313 -8.457 1.00 0.00 H new ATOM 0 HA MET A 1 -19.998 -18.031 -10.987 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.752 -17.131 -8.080 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.787 -16.027 -9.440 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.012 -16.941 -10.137 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.976 -18.070 -8.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.670 -15.287 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.153 -15.790 -9.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.389 -17.009 -8.315 1.00 0.00 H new ATOM 20 N GLN A 2 -17.612 -17.232 -11.191 1.00 0.00 N ATOM 21 CA GLN A 2 -16.190 -16.999 -11.420 1.00 0.00 C ATOM 22 C GLN A 2 -15.602 -16.126 -10.324 1.00 0.00 C ATOM 23 O GLN A 2 -14.516 -16.399 -9.818 1.00 0.00 O ATOM 24 CB GLN A 2 -15.979 -16.331 -12.786 1.00 0.00 C ATOM 25 CG GLN A 2 -14.503 -15.947 -12.966 1.00 0.00 C ATOM 26 CD GLN A 2 -13.614 -17.171 -12.777 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.932 -18.254 -13.269 1.00 0.00 O ATOM 28 NE2 GLN A 2 -12.517 -17.066 -12.079 1.00 0.00 N ATOM 0 H GLN A 2 -18.229 -16.831 -11.897 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.680 -17.962 -11.407 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.286 -17.010 -13.582 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -16.606 -15.443 -12.865 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.348 -15.526 -13.959 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.230 -15.175 -12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.255 -16.168 -11.672 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.921 -17.882 -11.940 1.00 0.00 H new ATOM 37 N TYR A 3 -16.318 -15.068 -9.968 1.00 0.00 N ATOM 38 CA TYR A 3 -15.853 -14.146 -8.933 1.00 0.00 C ATOM 39 C TYR A 3 -16.636 -14.371 -7.651 1.00 0.00 C ATOM 40 O TYR A 3 -17.863 -14.473 -7.679 1.00 0.00 O ATOM 41 CB TYR A 3 -16.064 -12.710 -9.402 1.00 0.00 C ATOM 42 CG TYR A 3 -15.344 -12.509 -10.710 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.999 -12.122 -10.724 1.00 0.00 C ATOM 44 CD2 TYR A 3 -16.023 -12.726 -11.912 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.337 -11.950 -11.943 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.361 -12.552 -13.130 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.018 -12.164 -13.146 1.00 0.00 C ATOM 48 OH TYR A 3 -13.363 -11.994 -14.349 1.00 0.00 O ATOM 0 H TYR A 3 -17.220 -14.825 -10.377 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.794 -14.323 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.128 -12.506 -9.523 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.689 -12.011 -8.655 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.474 -11.957 -9.795 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -17.060 -13.028 -11.899 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.299 -11.652 -11.956 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -15.887 -12.717 -14.059 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.980 -12.184 -15.087 1.00 0.00 H new ATOM 58 N THR A 4 -15.928 -14.445 -6.522 1.00 0.00 N ATOM 59 CA THR A 4 -16.582 -14.657 -5.230 1.00 0.00 C ATOM 60 C THR A 4 -16.124 -13.603 -4.218 1.00 0.00 C ATOM 61 O THR A 4 -15.007 -13.094 -4.317 1.00 0.00 O ATOM 62 CB THR A 4 -16.254 -16.054 -4.693 1.00 0.00 C ATOM 63 OG1 THR A 4 -15.054 -15.999 -3.933 1.00 0.00 O ATOM 64 CG2 THR A 4 -16.080 -17.024 -5.859 1.00 0.00 C ATOM 0 H THR A 4 -14.912 -14.362 -6.476 1.00 0.00 H new ATOM 0 HA THR A 4 -17.659 -14.569 -5.374 1.00 0.00 H new ATOM 0 HB THR A 4 -17.070 -16.399 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.928 -16.847 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.847 -18.017 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.003 -17.066 -6.438 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.266 -16.682 -6.498 1.00 0.00 H new ATOM 72 N PRO A 5 -16.944 -13.269 -3.243 1.00 0.00 N ATOM 73 CA PRO A 5 -16.572 -12.256 -2.209 1.00 0.00 C ATOM 74 C PRO A 5 -15.212 -12.533 -1.573 1.00 0.00 C ATOM 75 O PRO A 5 -14.437 -11.610 -1.323 1.00 0.00 O ATOM 76 CB PRO A 5 -17.693 -12.369 -1.157 1.00 0.00 C ATOM 77 CG PRO A 5 -18.867 -12.942 -1.883 1.00 0.00 C ATOM 78 CD PRO A 5 -18.308 -13.800 -3.021 1.00 0.00 C ATOM 0 HA PRO A 5 -16.481 -11.261 -2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -17.391 -13.012 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.932 -11.394 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.481 -13.543 -1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -19.504 -12.149 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -18.285 -14.855 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.919 -13.716 -3.920 1.00 0.00 H new ATOM 86 N ASP A 6 -14.935 -13.805 -1.297 1.00 0.00 N ATOM 87 CA ASP A 6 -13.670 -14.192 -0.673 1.00 0.00 C ATOM 88 C ASP A 6 -13.071 -15.409 -1.362 1.00 0.00 C ATOM 89 O ASP A 6 -13.485 -16.543 -1.120 1.00 0.00 O ATOM 90 CB ASP A 6 -13.898 -14.512 0.805 1.00 0.00 C ATOM 91 CG ASP A 6 -14.909 -15.644 0.938 1.00 0.00 C ATOM 92 OD1 ASP A 6 -15.564 -15.945 -0.046 1.00 0.00 O ATOM 93 OD2 ASP A 6 -15.017 -16.193 2.022 1.00 0.00 O ATOM 0 H ASP A 6 -15.565 -14.583 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.975 -13.358 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.956 -14.796 1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -14.260 -13.626 1.327 1.00 0.00 H new ATOM 98 N THR A 7 -12.083 -15.164 -2.216 1.00 0.00 N ATOM 99 CA THR A 7 -11.402 -16.243 -2.936 1.00 0.00 C ATOM 100 C THR A 7 -9.901 -15.998 -2.962 1.00 0.00 C ATOM 101 O THR A 7 -9.447 -14.860 -3.093 1.00 0.00 O ATOM 102 CB THR A 7 -11.928 -16.337 -4.371 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.043 -17.127 -5.148 1.00 0.00 O ATOM 104 CG2 THR A 7 -12.037 -14.937 -4.974 1.00 0.00 C ATOM 0 H THR A 7 -11.733 -14.230 -2.429 1.00 0.00 H new ATOM 0 HA THR A 7 -11.602 -17.180 -2.417 1.00 0.00 H new ATOM 0 HB THR A 7 -12.915 -16.800 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.509 -16.545 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.412 -15.009 -5.995 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.723 -14.336 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.054 -14.466 -4.980 1.00 0.00 H new ATOM 112 N ALA A 8 -9.132 -17.077 -2.847 1.00 0.00 N ATOM 113 CA ALA A 8 -7.670 -16.978 -2.867 1.00 0.00 C ATOM 114 C ALA A 8 -7.166 -17.192 -4.285 1.00 0.00 C ATOM 115 O ALA A 8 -7.109 -18.321 -4.774 1.00 0.00 O ATOM 116 CB ALA A 8 -7.059 -18.036 -1.944 1.00 0.00 C ATOM 0 H ALA A 8 -9.491 -18.026 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.376 -15.988 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.972 -17.954 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.414 -17.879 -0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.355 -19.029 -2.283 1.00 0.00 H new ATOM 122 N TRP A 9 -6.814 -16.095 -4.954 1.00 0.00 N ATOM 123 CA TRP A 9 -6.328 -16.164 -6.333 1.00 0.00 C ATOM 124 C TRP A 9 -4.810 -16.062 -6.366 1.00 0.00 C ATOM 125 O TRP A 9 -4.214 -15.245 -5.666 1.00 0.00 O ATOM 126 CB TRP A 9 -6.939 -15.015 -7.158 1.00 0.00 C ATOM 127 CG TRP A 9 -8.345 -15.352 -7.562 1.00 0.00 C ATOM 128 CD1 TRP A 9 -9.164 -16.206 -6.907 1.00 0.00 C ATOM 129 CD2 TRP A 9 -9.106 -14.860 -8.703 1.00 0.00 C ATOM 130 NE1 TRP A 9 -10.374 -16.262 -7.561 1.00 0.00 N ATOM 131 CE2 TRP A 9 -10.389 -15.453 -8.674 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.813 -13.965 -9.746 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -11.347 -15.171 -9.641 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.776 -13.678 -10.726 1.00 0.00 C ATOM 135 CH2 TRP A 9 -11.043 -14.279 -10.673 1.00 0.00 C ATOM 0 H TRP A 9 -6.855 -15.152 -4.567 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.627 -17.121 -6.761 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.932 -14.095 -6.573 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -6.332 -14.833 -8.045 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.909 -16.756 -6.013 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -11.163 -16.833 -7.258 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.842 -13.495 -9.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.320 -15.638 -9.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.541 -12.991 -11.525 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.781 -14.053 -11.428 1.00 0.00 H new ATOM 146 N LYS A 10 -4.192 -16.901 -7.192 1.00 0.00 N ATOM 147 CA LYS A 10 -2.738 -16.903 -7.330 1.00 0.00 C ATOM 148 C LYS A 10 -2.328 -15.971 -8.455 1.00 0.00 C ATOM 149 O LYS A 10 -3.022 -15.873 -9.463 1.00 0.00 O ATOM 150 CB LYS A 10 -2.232 -18.325 -7.624 1.00 0.00 C ATOM 151 CG LYS A 10 -0.781 -18.470 -7.154 1.00 0.00 C ATOM 152 CD LYS A 10 -0.333 -19.919 -7.317 1.00 0.00 C ATOM 153 CE LYS A 10 1.106 -20.052 -6.828 1.00 0.00 C ATOM 154 NZ LYS A 10 1.549 -21.465 -6.970 1.00 0.00 N ATOM 0 H LYS A 10 -4.673 -17.586 -7.775 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.296 -16.558 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.862 -19.056 -7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.300 -18.531 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.133 -17.811 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.694 -18.167 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.986 -20.581 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.405 -20.220 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.759 -19.395 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.178 -19.740 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.530 -21.556 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.932 -22.081 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.495 -21.747 -7.970 1.00 0.00 H new ATOM 168 N ILE A 11 -1.200 -15.290 -8.278 1.00 0.00 N ATOM 169 CA ILE A 11 -0.702 -14.358 -9.288 1.00 0.00 C ATOM 170 C ILE A 11 0.349 -15.034 -10.159 1.00 0.00 C ATOM 171 O ILE A 11 1.407 -15.437 -9.673 1.00 0.00 O ATOM 172 CB ILE A 11 -0.075 -13.138 -8.602 1.00 0.00 C ATOM 173 CG1 ILE A 11 -1.007 -12.625 -7.504 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.133 -12.023 -9.629 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.302 -11.526 -6.707 1.00 0.00 C ATOM 0 H ILE A 11 -0.613 -15.365 -7.447 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.538 -14.043 -9.913 1.00 0.00 H new ATOM 0 HB ILE A 11 0.882 -13.429 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.926 -12.237 -7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.291 -13.443 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.579 -11.157 -9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.796 -12.375 -10.419 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.828 -11.742 -10.060 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.967 -11.161 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.604 -11.929 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.040 -10.704 -7.373 1.00 0.00 H new ATOM 187 N THR A 12 0.053 -15.158 -11.453 1.00 0.00 N ATOM 188 CA THR A 12 0.984 -15.787 -12.393 1.00 0.00 C ATOM 189 C THR A 12 1.722 -14.729 -13.206 1.00 0.00 C ATOM 190 O THR A 12 2.943 -14.786 -13.355 1.00 0.00 O ATOM 191 CB THR A 12 0.213 -16.711 -13.336 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.403 -17.747 -12.583 1.00 0.00 O ATOM 193 CG2 THR A 12 1.175 -17.319 -14.356 1.00 0.00 C ATOM 0 H THR A 12 -0.818 -14.834 -11.873 1.00 0.00 H new ATOM 0 HA THR A 12 1.714 -16.365 -11.827 1.00 0.00 H new ATOM 0 HB THR A 12 -0.553 -16.140 -13.860 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.899 -18.339 -13.186 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.624 -17.978 -15.028 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.645 -16.522 -14.933 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.943 -17.891 -13.836 1.00 0.00 H new ATOM 201 N GLY A 13 0.972 -13.764 -13.729 1.00 0.00 N ATOM 202 CA GLY A 13 1.565 -12.696 -14.525 1.00 0.00 C ATOM 203 C GLY A 13 0.510 -11.985 -15.359 1.00 0.00 C ATOM 204 O GLY A 13 -0.659 -12.365 -15.360 1.00 0.00 O ATOM 0 H GLY A 13 -0.040 -13.700 -13.617 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.058 -11.979 -13.868 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.333 -13.109 -15.179 1.00 0.00 H new ATOM 208 N PHE A 14 0.932 -10.946 -16.072 1.00 0.00 N ATOM 209 CA PHE A 14 0.018 -10.181 -16.915 1.00 0.00 C ATOM 210 C PHE A 14 0.013 -10.745 -18.337 1.00 0.00 C ATOM 211 O PHE A 14 1.025 -11.257 -18.817 1.00 0.00 O ATOM 212 CB PHE A 14 0.444 -8.710 -16.941 1.00 0.00 C ATOM 213 CG PHE A 14 1.945 -8.615 -16.852 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.572 -8.632 -15.602 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.705 -8.497 -18.017 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.963 -8.529 -15.517 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.098 -8.397 -17.935 1.00 0.00 C ATOM 218 CZ PHE A 14 4.728 -8.412 -16.685 1.00 0.00 C ATOM 0 H PHE A 14 1.897 -10.615 -16.084 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.988 -10.257 -16.503 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.094 -8.236 -17.858 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.014 -8.174 -16.110 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.981 -8.725 -14.703 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.218 -8.483 -18.981 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.448 -8.540 -14.552 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.687 -8.308 -18.836 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.803 -8.333 -16.621 1.00 0.00 H new ATOM 228 N SER A 15 -1.132 -10.642 -19.004 1.00 0.00 N ATOM 229 CA SER A 15 -1.263 -11.137 -20.370 1.00 0.00 C ATOM 230 C SER A 15 -0.585 -10.187 -21.350 1.00 0.00 C ATOM 231 O SER A 15 -0.157 -9.099 -20.974 1.00 0.00 O ATOM 232 CB SER A 15 -2.740 -11.275 -20.735 1.00 0.00 C ATOM 233 OG SER A 15 -2.890 -11.155 -22.144 1.00 0.00 O ATOM 0 H SER A 15 -1.980 -10.222 -18.623 1.00 0.00 H new ATOM 0 HA SER A 15 -0.780 -12.112 -20.431 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.121 -12.239 -20.398 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.325 -10.507 -20.229 1.00 0.00 H new ATOM 0 HG SER A 15 -3.837 -11.245 -22.381 1.00 0.00 H new ATOM 239 N ARG A 16 -0.495 -10.606 -22.606 1.00 0.00 N ATOM 240 CA ARG A 16 0.127 -9.783 -23.636 1.00 0.00 C ATOM 241 C ARG A 16 -0.762 -8.593 -23.984 1.00 0.00 C ATOM 242 O ARG A 16 -0.273 -7.493 -24.243 1.00 0.00 O ATOM 243 CB ARG A 16 0.389 -10.626 -24.886 1.00 0.00 C ATOM 244 CG ARG A 16 -0.936 -11.164 -25.433 1.00 0.00 C ATOM 245 CD ARG A 16 -0.664 -12.076 -26.629 1.00 0.00 C ATOM 246 NE ARG A 16 -1.922 -12.570 -27.181 1.00 0.00 N ATOM 247 CZ ARG A 16 -2.509 -13.661 -26.695 1.00 0.00 C ATOM 248 NH1 ARG A 16 -1.961 -14.314 -25.705 1.00 0.00 N ATOM 249 NH2 ARG A 16 -3.634 -14.078 -27.205 1.00 0.00 N ATOM 0 H ARG A 16 -0.843 -11.507 -22.935 1.00 0.00 H new ATOM 0 HA ARG A 16 1.075 -9.404 -23.253 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.889 -10.023 -25.644 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.057 -11.453 -24.645 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.465 -11.715 -24.656 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.580 -10.337 -25.732 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.112 -11.530 -27.394 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.039 -12.914 -26.322 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.360 -12.069 -27.954 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.082 -13.988 -25.303 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.412 -15.150 -25.334 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.064 -13.568 -27.977 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.084 -14.914 -26.833 1.00 0.00 H new ATOM 263 N GLU A 17 -2.070 -8.824 -23.990 1.00 0.00 N ATOM 264 CA GLU A 17 -3.023 -7.771 -24.309 1.00 0.00 C ATOM 265 C GLU A 17 -3.060 -6.734 -23.192 1.00 0.00 C ATOM 266 O GLU A 17 -3.600 -5.641 -23.360 1.00 0.00 O ATOM 267 CB GLU A 17 -4.416 -8.373 -24.503 1.00 0.00 C ATOM 268 CG GLU A 17 -5.376 -7.297 -25.020 1.00 0.00 C ATOM 269 CD GLU A 17 -6.713 -7.921 -25.400 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.942 -9.060 -25.030 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.492 -7.248 -26.057 1.00 0.00 O ATOM 0 H GLU A 17 -2.492 -9.728 -23.778 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.710 -7.283 -25.232 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.369 -9.202 -25.209 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.782 -8.778 -23.560 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.527 -6.536 -24.254 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.941 -6.797 -25.885 1.00 0.00 H new ATOM 278 N ILE A 18 -2.481 -7.089 -22.048 1.00 0.00 N ATOM 279 CA ILE A 18 -2.459 -6.187 -20.901 1.00 0.00 C ATOM 280 C ILE A 18 -2.169 -4.758 -21.350 1.00 0.00 C ATOM 281 O ILE A 18 -1.479 -4.541 -22.345 1.00 0.00 O ATOM 282 CB ILE A 18 -1.385 -6.637 -19.902 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.502 -5.819 -18.606 1.00 0.00 C ATOM 284 CG2 ILE A 18 0.007 -6.424 -20.514 1.00 0.00 C ATOM 285 CD1 ILE A 18 -2.846 -6.089 -17.911 1.00 0.00 C ATOM 0 H ILE A 18 -2.024 -7.987 -21.891 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.437 -6.215 -20.421 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.528 -7.694 -19.676 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.682 -6.074 -17.934 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.411 -4.756 -18.832 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.770 -6.744 -19.804 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.095 -7.009 -21.429 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.146 -5.368 -20.744 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.907 -5.500 -16.996 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.663 -5.811 -18.577 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.923 -7.148 -17.666 1.00 0.00 H new ATOM 297 N SER A 19 -2.706 -3.787 -20.618 1.00 0.00 N ATOM 298 CA SER A 19 -2.497 -2.391 -20.969 1.00 0.00 C ATOM 299 C SER A 19 -1.111 -1.919 -20.500 1.00 0.00 C ATOM 300 O SER A 19 -0.677 -2.284 -19.406 1.00 0.00 O ATOM 301 CB SER A 19 -3.575 -1.519 -20.324 1.00 0.00 C ATOM 302 OG SER A 19 -3.576 -1.724 -18.917 1.00 0.00 O ATOM 0 H SER A 19 -3.281 -3.940 -19.790 1.00 0.00 H new ATOM 0 HA SER A 19 -2.556 -2.299 -22.053 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.390 -0.469 -20.548 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.553 -1.766 -20.738 1.00 0.00 H new ATOM 0 HG SER A 19 -4.266 -1.163 -18.505 1.00 0.00 H new ATOM 308 N PRO A 20 -0.409 -1.113 -21.279 1.00 0.00 N ATOM 309 CA PRO A 20 0.938 -0.598 -20.877 1.00 0.00 C ATOM 310 C PRO A 20 0.959 -0.051 -19.446 1.00 0.00 C ATOM 311 O PRO A 20 1.921 -0.261 -18.709 1.00 0.00 O ATOM 312 CB PRO A 20 1.208 0.539 -21.879 1.00 0.00 C ATOM 313 CG PRO A 20 0.408 0.200 -23.097 1.00 0.00 C ATOM 314 CD PRO A 20 -0.797 -0.623 -22.622 1.00 0.00 C ATOM 0 HA PRO A 20 1.687 -1.390 -20.892 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.907 1.503 -21.468 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.270 0.610 -22.115 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.080 1.105 -23.608 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.008 -0.368 -23.808 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.700 -0.014 -22.576 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.005 -1.450 -23.301 1.00 0.00 H new ATOM 322 N ALA A 21 -0.094 0.667 -19.069 1.00 0.00 N ATOM 323 CA ALA A 21 -0.165 1.253 -17.734 1.00 0.00 C ATOM 324 C ALA A 21 0.022 0.191 -16.655 1.00 0.00 C ATOM 325 O ALA A 21 0.918 0.294 -15.813 1.00 0.00 O ATOM 326 CB ALA A 21 -1.521 1.936 -17.544 1.00 0.00 C ATOM 0 H ALA A 21 -0.902 0.856 -19.662 1.00 0.00 H new ATOM 0 HA ALA A 21 0.638 1.984 -17.641 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.572 2.373 -16.547 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.641 2.721 -18.291 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.318 1.201 -17.659 1.00 0.00 H new ATOM 332 N TYR A 22 -0.822 -0.830 -16.685 1.00 0.00 N ATOM 333 CA TYR A 22 -0.746 -1.903 -15.702 1.00 0.00 C ATOM 334 C TYR A 22 0.598 -2.619 -15.796 1.00 0.00 C ATOM 335 O TYR A 22 1.239 -2.918 -14.781 1.00 0.00 O ATOM 336 CB TYR A 22 -1.882 -2.901 -15.944 1.00 0.00 C ATOM 337 CG TYR A 22 -1.823 -3.996 -14.909 1.00 0.00 C ATOM 338 CD1 TYR A 22 -0.908 -5.042 -15.058 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.678 -3.963 -13.797 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.843 -6.055 -14.100 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.615 -4.980 -12.838 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.696 -6.025 -12.988 1.00 0.00 C ATOM 343 OH TYR A 22 -1.633 -7.028 -12.043 1.00 0.00 O ATOM 0 H TYR A 22 -1.565 -0.939 -17.376 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.843 -1.474 -14.705 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.844 -2.391 -15.894 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.798 -3.327 -16.944 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.251 -5.066 -15.915 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.384 -3.154 -13.681 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.135 -6.862 -14.216 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.275 -4.959 -11.983 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.291 -6.855 -11.338 1.00 0.00 H new ATOM 353 N ARG A 23 1.018 -2.901 -17.021 1.00 0.00 N ATOM 354 CA ARG A 23 2.277 -3.593 -17.235 1.00 0.00 C ATOM 355 C ARG A 23 3.422 -2.792 -16.621 1.00 0.00 C ATOM 356 O ARG A 23 4.305 -3.349 -15.964 1.00 0.00 O ATOM 357 CB ARG A 23 2.519 -3.777 -18.732 1.00 0.00 C ATOM 358 CG ARG A 23 3.768 -4.635 -18.949 1.00 0.00 C ATOM 359 CD ARG A 23 4.053 -4.764 -20.447 1.00 0.00 C ATOM 360 NE ARG A 23 5.145 -5.705 -20.675 1.00 0.00 N ATOM 361 CZ ARG A 23 5.639 -5.907 -21.893 1.00 0.00 C ATOM 362 NH1 ARG A 23 5.150 -5.255 -22.912 1.00 0.00 N ATOM 363 NH2 ARG A 23 6.614 -6.757 -22.071 1.00 0.00 N ATOM 0 H ARG A 23 0.510 -2.663 -17.873 1.00 0.00 H new ATOM 0 HA ARG A 23 2.231 -4.571 -16.757 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.654 -4.252 -19.195 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.644 -2.807 -19.212 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.622 -4.184 -18.444 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.623 -5.622 -18.510 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.157 -5.103 -20.967 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.312 -3.789 -20.860 1.00 0.00 H new ATOM 0 HE ARG A 23 5.537 -6.218 -19.885 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.389 -4.590 -22.774 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.529 -5.410 -23.846 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.998 -7.267 -21.275 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.992 -6.911 -23.006 1.00 0.00 H new ATOM 377 N GLN A 24 3.393 -1.480 -16.829 1.00 0.00 N ATOM 378 CA GLN A 24 4.428 -0.609 -16.284 1.00 0.00 C ATOM 379 C GLN A 24 4.406 -0.664 -14.760 1.00 0.00 C ATOM 380 O GLN A 24 5.455 -0.624 -14.115 1.00 0.00 O ATOM 381 CB GLN A 24 4.208 0.836 -16.760 1.00 0.00 C ATOM 382 CG GLN A 24 5.543 1.589 -16.797 1.00 0.00 C ATOM 383 CD GLN A 24 6.218 1.524 -15.432 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.600 1.840 -14.416 1.00 0.00 O ATOM 385 NE2 GLN A 24 7.460 1.131 -15.348 1.00 0.00 N ATOM 0 H GLN A 24 2.671 -1.000 -17.366 1.00 0.00 H new ATOM 0 HA GLN A 24 5.400 -0.953 -16.638 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.755 0.835 -17.751 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.513 1.345 -16.092 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.194 1.153 -17.555 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.376 2.628 -17.080 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.970 0.870 -16.192 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.920 1.085 -14.439 1.00 0.00 H new ATOM 394 N LYS A 25 3.207 -0.756 -14.187 1.00 0.00 N ATOM 395 CA LYS A 25 3.085 -0.821 -12.734 1.00 0.00 C ATOM 396 C LYS A 25 3.861 -2.022 -12.214 1.00 0.00 C ATOM 397 O LYS A 25 4.628 -1.901 -11.263 1.00 0.00 O ATOM 398 CB LYS A 25 1.595 -0.937 -12.326 1.00 0.00 C ATOM 399 CG LYS A 25 1.068 0.406 -11.812 1.00 0.00 C ATOM 400 CD LYS A 25 1.012 1.404 -12.963 1.00 0.00 C ATOM 401 CE LYS A 25 0.557 2.761 -12.433 1.00 0.00 C ATOM 402 NZ LYS A 25 0.466 3.723 -13.564 1.00 0.00 N ATOM 0 H LYS A 25 2.323 -0.787 -14.695 1.00 0.00 H new ATOM 0 HA LYS A 25 3.495 0.091 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.003 -1.262 -13.181 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.483 -1.697 -11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.076 0.278 -11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.715 0.784 -11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.993 1.493 -13.430 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.324 1.052 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.411 2.667 -11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.260 3.127 -11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.156 4.650 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.399 3.819 -14.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.221 3.374 -14.263 1.00 0.00 H new ATOM 416 N LEU A 26 3.671 -3.174 -12.840 1.00 0.00 N ATOM 417 CA LEU A 26 4.387 -4.368 -12.403 1.00 0.00 C ATOM 418 C LEU A 26 5.886 -4.175 -12.585 1.00 0.00 C ATOM 419 O LEU A 26 6.678 -4.613 -11.753 1.00 0.00 O ATOM 420 CB LEU A 26 3.922 -5.609 -13.191 1.00 0.00 C ATOM 421 CG LEU A 26 2.697 -6.249 -12.522 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.062 -6.785 -11.119 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.575 -5.214 -12.421 1.00 0.00 C ATOM 0 H LEU A 26 3.044 -3.309 -13.633 1.00 0.00 H new ATOM 0 HA LEU A 26 4.169 -4.527 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.677 -5.325 -14.214 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.733 -6.335 -13.247 1.00 0.00 H new ATOM 0 HG LEU A 26 2.359 -7.090 -13.128 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.181 -7.235 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.847 -7.535 -11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.415 -5.963 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.704 -5.666 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.914 -4.367 -11.825 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.306 -4.870 -13.420 1.00 0.00 H new ATOM 435 N LEU A 27 6.274 -3.535 -13.679 1.00 0.00 N ATOM 436 CA LEU A 27 7.687 -3.318 -13.940 1.00 0.00 C ATOM 437 C LEU A 27 8.307 -2.493 -12.817 1.00 0.00 C ATOM 438 O LEU A 27 9.398 -2.801 -12.338 1.00 0.00 O ATOM 439 CB LEU A 27 7.855 -2.576 -15.267 1.00 0.00 C ATOM 440 CG LEU A 27 9.344 -2.448 -15.621 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.948 -3.839 -15.881 1.00 0.00 C ATOM 442 CD2 LEU A 27 9.480 -1.575 -16.873 1.00 0.00 C ATOM 0 H LEU A 27 5.642 -3.163 -14.388 1.00 0.00 H new ATOM 0 HA LEU A 27 8.189 -4.284 -13.993 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.330 -3.110 -16.059 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.404 -1.586 -15.198 1.00 0.00 H new ATOM 0 HG LEU A 27 9.881 -1.989 -14.791 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.004 -3.736 -16.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.845 -4.453 -14.987 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.423 -4.314 -16.710 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.533 -1.476 -17.135 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.942 -2.039 -17.700 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.061 -0.588 -16.676 1.00 0.00 H new ATOM 454 N SER A 28 7.607 -1.445 -12.404 1.00 0.00 N ATOM 455 CA SER A 28 8.105 -0.583 -11.335 1.00 0.00 C ATOM 456 C SER A 28 7.937 -1.253 -9.977 1.00 0.00 C ATOM 457 O SER A 28 8.746 -1.051 -9.071 1.00 0.00 O ATOM 458 CB SER A 28 7.363 0.753 -11.345 1.00 0.00 C ATOM 459 OG SER A 28 7.791 1.515 -12.466 1.00 0.00 O ATOM 0 H SER A 28 6.702 -1.171 -12.787 1.00 0.00 H new ATOM 0 HA SER A 28 9.167 -0.407 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.287 0.585 -11.393 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.559 1.299 -10.422 1.00 0.00 H new ATOM 0 HG SER A 28 7.317 2.373 -12.479 1.00 0.00 H new ATOM 465 N LEU A 29 6.877 -2.039 -9.837 1.00 0.00 N ATOM 466 CA LEU A 29 6.609 -2.717 -8.582 1.00 0.00 C ATOM 467 C LEU A 29 7.619 -3.837 -8.361 1.00 0.00 C ATOM 468 O LEU A 29 7.841 -4.671 -9.239 1.00 0.00 O ATOM 469 CB LEU A 29 5.190 -3.293 -8.605 1.00 0.00 C ATOM 470 CG LEU A 29 4.722 -3.619 -7.177 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.202 -2.352 -6.487 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.595 -4.650 -7.238 1.00 0.00 C ATOM 0 H LEU A 29 6.195 -2.220 -10.573 1.00 0.00 H new ATOM 0 HA LEU A 29 6.697 -2.001 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.508 -2.578 -9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.166 -4.194 -9.217 1.00 0.00 H new ATOM 0 HG LEU A 29 5.565 -4.016 -6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.874 -2.596 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.999 -1.610 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.363 -1.948 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.261 -4.884 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.761 -4.244 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.958 -5.558 -7.719 1.00 0.00 H new ATOM 484 N GLY A 30 8.227 -3.847 -7.180 1.00 0.00 N ATOM 485 CA GLY A 30 9.216 -4.865 -6.841 1.00 0.00 C ATOM 486 C GLY A 30 8.545 -6.136 -6.335 1.00 0.00 C ATOM 487 O GLY A 30 9.219 -7.097 -5.966 1.00 0.00 O ATOM 0 H GLY A 30 8.053 -3.164 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.821 -5.094 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.893 -4.479 -6.079 1.00 0.00 H new ATOM 491 N MET A 31 7.213 -6.140 -6.331 1.00 0.00 N ATOM 492 CA MET A 31 6.448 -7.305 -5.879 1.00 0.00 C ATOM 493 C MET A 31 5.771 -7.971 -7.067 1.00 0.00 C ATOM 494 O MET A 31 4.568 -7.826 -7.275 1.00 0.00 O ATOM 495 CB MET A 31 5.385 -6.875 -4.868 1.00 0.00 C ATOM 496 CG MET A 31 4.748 -8.112 -4.229 1.00 0.00 C ATOM 497 SD MET A 31 5.962 -8.931 -3.160 1.00 0.00 S ATOM 498 CE MET A 31 5.356 -8.302 -1.576 1.00 0.00 C ATOM 0 H MET A 31 6.641 -5.352 -6.635 1.00 0.00 H new ATOM 0 HA MET A 31 7.131 -8.010 -5.406 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.834 -6.247 -4.099 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.621 -6.275 -5.363 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.871 -7.824 -3.648 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.406 -8.799 -5.003 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.975 -8.693 -0.769 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.403 -7.213 -1.575 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.324 -8.621 -1.429 1.00 0.00 H new ATOM 508 N LEU A 32 6.556 -8.690 -7.848 1.00 0.00 N ATOM 509 CA LEU A 32 6.035 -9.365 -9.028 1.00 0.00 C ATOM 510 C LEU A 32 5.330 -10.662 -8.617 1.00 0.00 C ATOM 511 O LEU A 32 5.478 -11.119 -7.485 1.00 0.00 O ATOM 512 CB LEU A 32 7.218 -9.661 -9.991 1.00 0.00 C ATOM 513 CG LEU A 32 7.189 -8.708 -11.210 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.800 -7.361 -10.814 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.986 -9.316 -12.367 1.00 0.00 C ATOM 0 H LEU A 32 7.555 -8.823 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 32 5.307 -8.732 -9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.162 -9.548 -9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.165 -10.695 -10.331 1.00 0.00 H new ATOM 0 HG LEU A 32 6.157 -8.561 -11.529 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.781 -6.687 -11.670 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.224 -6.926 -9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.831 -7.510 -10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.961 -8.639 -13.221 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.019 -9.470 -12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.546 -10.273 -12.649 1.00 0.00 H new ATOM 527 N PRO A 33 4.564 -11.246 -9.505 1.00 0.00 N ATOM 528 CA PRO A 33 3.825 -12.506 -9.221 1.00 0.00 C ATOM 529 C PRO A 33 4.653 -13.494 -8.413 1.00 0.00 C ATOM 530 O PRO A 33 5.848 -13.296 -8.195 1.00 0.00 O ATOM 531 CB PRO A 33 3.522 -13.070 -10.609 1.00 0.00 C ATOM 532 CG PRO A 33 3.462 -11.879 -11.515 1.00 0.00 C ATOM 533 CD PRO A 33 4.311 -10.769 -10.874 1.00 0.00 C ATOM 0 HA PRO A 33 2.934 -12.324 -8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.296 -13.768 -10.928 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.579 -13.616 -10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.843 -12.130 -12.505 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.432 -11.547 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.242 -10.616 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.782 -9.816 -10.871 1.00 0.00 H new ATOM 541 N GLY A 34 4.006 -14.570 -7.986 1.00 0.00 N ATOM 542 CA GLY A 34 4.671 -15.609 -7.208 1.00 0.00 C ATOM 543 C GLY A 34 4.017 -15.756 -5.837 1.00 0.00 C ATOM 544 O GLY A 34 4.520 -16.472 -4.971 1.00 0.00 O ATOM 0 H GLY A 34 3.018 -14.747 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.624 -16.558 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.726 -15.362 -7.089 1.00 0.00 H new ATOM 548 N SER A 35 2.885 -15.077 -5.652 1.00 0.00 N ATOM 549 CA SER A 35 2.146 -15.134 -4.387 1.00 0.00 C ATOM 550 C SER A 35 0.650 -15.258 -4.656 1.00 0.00 C ATOM 551 O SER A 35 0.235 -15.704 -5.725 1.00 0.00 O ATOM 552 CB SER A 35 2.412 -13.875 -3.559 1.00 0.00 C ATOM 553 OG SER A 35 1.806 -14.018 -2.280 1.00 0.00 O ATOM 0 H SER A 35 2.458 -14.481 -6.361 1.00 0.00 H new ATOM 0 HA SER A 35 2.485 -16.007 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.485 -13.717 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.011 -12.999 -4.069 1.00 0.00 H new ATOM 0 HG SER A 35 1.976 -13.214 -1.746 1.00 0.00 H new ATOM 559 N SER A 36 -0.157 -14.863 -3.674 1.00 0.00 N ATOM 560 CA SER A 36 -1.612 -14.935 -3.805 1.00 0.00 C ATOM 561 C SER A 36 -2.269 -13.768 -3.083 1.00 0.00 C ATOM 562 O SER A 36 -1.679 -13.169 -2.183 1.00 0.00 O ATOM 563 CB SER A 36 -2.124 -16.251 -3.222 1.00 0.00 C ATOM 564 OG SER A 36 -1.510 -17.337 -3.903 1.00 0.00 O ATOM 0 H SER A 36 0.169 -14.491 -2.782 1.00 0.00 H new ATOM 0 HA SER A 36 -1.867 -14.884 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.900 -16.302 -2.156 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.208 -16.310 -3.323 1.00 0.00 H new ATOM 0 HG SER A 36 -1.282 -18.040 -3.259 1.00 0.00 H new ATOM 570 N PHE A 37 -3.498 -13.451 -3.484 1.00 0.00 N ATOM 571 CA PHE A 37 -4.240 -12.351 -2.873 1.00 0.00 C ATOM 572 C PHE A 37 -5.702 -12.737 -2.685 1.00 0.00 C ATOM 573 O PHE A 37 -6.233 -13.585 -3.408 1.00 0.00 O ATOM 574 CB PHE A 37 -4.152 -11.106 -3.757 1.00 0.00 C ATOM 575 CG PHE A 37 -4.853 -11.364 -5.072 1.00 0.00 C ATOM 576 CD1 PHE A 37 -4.146 -11.896 -6.157 1.00 0.00 C ATOM 577 CD2 PHE A 37 -6.212 -11.065 -5.202 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.800 -12.130 -7.372 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.866 -11.297 -6.418 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.159 -11.829 -7.502 1.00 0.00 C ATOM 0 H PHE A 37 -4.000 -13.938 -4.227 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.800 -12.136 -1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.609 -10.256 -3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.108 -10.848 -3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.096 -12.126 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.757 -10.655 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.255 -12.543 -8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.916 -11.065 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.664 -12.007 -8.440 1.00 0.00 H new ATOM 590 N ASN A 38 -6.348 -12.111 -1.701 1.00 0.00 N ATOM 591 CA ASN A 38 -7.754 -12.386 -1.404 1.00 0.00 C ATOM 592 C ASN A 38 -8.636 -11.227 -1.854 1.00 0.00 C ATOM 593 O ASN A 38 -8.224 -10.057 -1.834 1.00 0.00 O ATOM 594 CB ASN A 38 -7.936 -12.612 0.099 1.00 0.00 C ATOM 595 CG ASN A 38 -7.304 -13.938 0.505 1.00 0.00 C ATOM 596 OD1 ASN A 38 -7.032 -14.784 -0.347 1.00 0.00 O ATOM 597 ND2 ASN A 38 -7.058 -14.175 1.764 1.00 0.00 N ATOM 0 H ASN A 38 -5.920 -11.410 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.050 -13.284 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.478 -11.795 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.997 -12.613 0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.640 -15.062 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.284 -13.473 2.469 1.00 0.00 H new ATOM 604 N VAL A 39 -9.859 -11.560 -2.261 1.00 0.00 N ATOM 605 CA VAL A 39 -10.803 -10.548 -2.717 1.00 0.00 C ATOM 606 C VAL A 39 -11.598 -9.999 -1.538 1.00 0.00 C ATOM 607 O VAL A 39 -12.205 -10.754 -0.779 1.00 0.00 O ATOM 608 CB VAL A 39 -11.764 -11.154 -3.739 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.749 -10.083 -4.213 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.972 -11.684 -4.935 1.00 0.00 C ATOM 0 H VAL A 39 -10.216 -12.515 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.244 -9.735 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.314 -11.974 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.434 -10.516 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.316 -9.707 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.200 -9.262 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.658 -12.116 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.420 -10.866 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.272 -12.449 -4.598 1.00 0.00 H new ATOM 620 N VAL A 40 -11.590 -8.680 -1.396 1.00 0.00 N ATOM 621 CA VAL A 40 -12.314 -8.033 -0.309 1.00 0.00 C ATOM 622 C VAL A 40 -13.819 -8.250 -0.452 1.00 0.00 C ATOM 623 O VAL A 40 -14.520 -8.468 0.536 1.00 0.00 O ATOM 624 CB VAL A 40 -11.980 -6.530 -0.279 1.00 0.00 C ATOM 625 CG1 VAL A 40 -12.090 -5.921 -1.688 1.00 0.00 C ATOM 626 CG2 VAL A 40 -12.946 -5.807 0.671 1.00 0.00 C ATOM 0 H VAL A 40 -11.093 -8.040 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.001 -8.482 0.634 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.956 -6.408 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.850 -4.859 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.392 -6.424 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -13.106 -6.049 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.708 -4.743 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.970 -5.944 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.847 -6.220 1.675 1.00 0.00 H new ATOM 636 N ARG A 41 -14.306 -8.178 -1.683 1.00 0.00 N ATOM 637 CA ARG A 41 -15.725 -8.355 -1.951 1.00 0.00 C ATOM 638 C ARG A 41 -15.976 -8.367 -3.451 1.00 0.00 C ATOM 639 O ARG A 41 -15.150 -7.885 -4.225 1.00 0.00 O ATOM 640 CB ARG A 41 -16.512 -7.206 -1.312 1.00 0.00 C ATOM 641 CG ARG A 41 -16.105 -5.875 -1.953 1.00 0.00 C ATOM 642 CD ARG A 41 -16.820 -4.728 -1.237 1.00 0.00 C ATOM 643 NE ARG A 41 -16.342 -4.618 0.137 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.858 -3.727 0.976 1.00 0.00 C ATOM 645 NH1 ARG A 41 -17.805 -2.925 0.575 1.00 0.00 N ATOM 646 NH2 ARG A 41 -16.415 -3.651 2.201 1.00 0.00 N ATOM 0 H ARG A 41 -13.739 -7.998 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.051 -9.305 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.582 -7.370 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.322 -7.176 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.025 -5.742 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.363 -5.875 -3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.644 -3.792 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.896 -4.900 -1.243 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.598 -5.237 0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.150 -2.982 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.201 -2.241 1.220 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.672 -4.276 2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.811 -2.967 2.845 1.00 0.00 H new ATOM 660 N VAL A 42 -17.127 -8.896 -3.858 1.00 0.00 N ATOM 661 CA VAL A 42 -17.489 -8.938 -5.277 1.00 0.00 C ATOM 662 C VAL A 42 -18.859 -8.302 -5.470 1.00 0.00 C ATOM 663 O VAL A 42 -19.832 -8.703 -4.831 1.00 0.00 O ATOM 664 CB VAL A 42 -17.508 -10.387 -5.763 1.00 0.00 C ATOM 665 CG1 VAL A 42 -18.135 -10.466 -7.161 1.00 0.00 C ATOM 666 CG2 VAL A 42 -16.073 -10.907 -5.817 1.00 0.00 C ATOM 0 H VAL A 42 -17.823 -9.300 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.752 -8.382 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 42 -18.100 -10.993 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.144 -11.503 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.157 -10.088 -7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.551 -9.863 -7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.073 -11.941 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.490 -10.295 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.630 -10.857 -4.822 1.00 0.00 H new ATOM 676 N ALA A 43 -18.936 -7.308 -6.354 1.00 0.00 N ATOM 677 CA ALA A 43 -20.203 -6.631 -6.615 1.00 0.00 C ATOM 678 C ALA A 43 -20.916 -7.271 -7.820 1.00 0.00 C ATOM 679 O ALA A 43 -20.434 -7.149 -8.949 1.00 0.00 O ATOM 680 CB ALA A 43 -19.946 -5.149 -6.898 1.00 0.00 C ATOM 0 H ALA A 43 -18.146 -6.958 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.841 -6.730 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.893 -4.646 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.463 -4.692 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.298 -5.052 -7.769 1.00 0.00 H new ATOM 686 N PRO A 44 -22.039 -7.947 -7.628 1.00 0.00 N ATOM 687 CA PRO A 44 -22.781 -8.594 -8.752 1.00 0.00 C ATOM 688 C PRO A 44 -23.548 -7.575 -9.593 1.00 0.00 C ATOM 689 O PRO A 44 -24.053 -7.901 -10.668 1.00 0.00 O ATOM 690 CB PRO A 44 -23.730 -9.578 -8.056 1.00 0.00 C ATOM 691 CG PRO A 44 -23.978 -8.989 -6.702 1.00 0.00 C ATOM 692 CD PRO A 44 -22.732 -8.169 -6.338 1.00 0.00 C ATOM 0 HA PRO A 44 -22.111 -9.087 -9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.660 -9.690 -8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.283 -10.569 -7.979 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.866 -8.358 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -24.153 -9.773 -5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -23.003 -7.224 -5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -22.096 -8.706 -5.634 1.00 0.00 H new ATOM 700 N LEU A 45 -23.655 -6.351 -9.087 1.00 0.00 N ATOM 701 CA LEU A 45 -24.386 -5.310 -9.799 1.00 0.00 C ATOM 702 C LEU A 45 -23.786 -5.075 -11.183 1.00 0.00 C ATOM 703 O LEU A 45 -24.501 -4.722 -12.121 1.00 0.00 O ATOM 704 CB LEU A 45 -24.362 -4.003 -8.990 1.00 0.00 C ATOM 705 CG LEU A 45 -25.079 -2.879 -9.755 1.00 0.00 C ATOM 706 CD1 LEU A 45 -26.518 -3.299 -10.098 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.104 -1.621 -8.881 1.00 0.00 C ATOM 0 H LEU A 45 -23.250 -6.058 -8.198 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.418 -5.639 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -24.844 -4.158 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.331 -3.713 -8.789 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.545 -2.678 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.013 -2.493 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.497 -4.194 -10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.065 -3.508 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.611 -0.817 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.636 -1.833 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.083 -1.317 -8.652 1.00 0.00 H new ATOM 719 N GLY A 46 -22.474 -5.267 -11.309 1.00 0.00 N ATOM 720 CA GLY A 46 -21.788 -5.069 -12.588 1.00 0.00 C ATOM 721 C GLY A 46 -20.722 -3.987 -12.458 1.00 0.00 C ATOM 722 O GLY A 46 -20.465 -3.241 -13.402 1.00 0.00 O ATOM 0 H GLY A 46 -21.865 -5.559 -10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.329 -6.004 -12.910 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.509 -4.787 -13.355 1.00 0.00 H new ATOM 726 N ASP A 47 -20.109 -3.897 -11.277 1.00 0.00 N ATOM 727 CA ASP A 47 -19.075 -2.888 -11.029 1.00 0.00 C ATOM 728 C ASP A 47 -17.686 -3.525 -11.148 1.00 0.00 C ATOM 729 O ASP A 47 -17.567 -4.724 -11.402 1.00 0.00 O ATOM 730 CB ASP A 47 -19.263 -2.259 -9.622 1.00 0.00 C ATOM 731 CG ASP A 47 -20.659 -2.563 -9.083 1.00 0.00 C ATOM 732 OD1 ASP A 47 -21.020 -3.727 -9.061 1.00 0.00 O ATOM 733 OD2 ASP A 47 -21.341 -1.629 -8.696 1.00 0.00 O ATOM 0 H ASP A 47 -20.307 -4.505 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.165 -2.098 -11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.510 -2.650 -8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -19.115 -1.181 -9.676 1.00 0.00 H new ATOM 738 N PRO A 48 -16.641 -2.758 -10.966 1.00 0.00 N ATOM 739 CA PRO A 48 -15.243 -3.277 -11.055 1.00 0.00 C ATOM 740 C PRO A 48 -14.963 -4.335 -9.986 1.00 0.00 C ATOM 741 O PRO A 48 -15.847 -4.699 -9.214 1.00 0.00 O ATOM 742 CB PRO A 48 -14.361 -2.033 -10.847 1.00 0.00 C ATOM 743 CG PRO A 48 -15.266 -0.861 -11.078 1.00 0.00 C ATOM 744 CD PRO A 48 -16.658 -1.318 -10.658 1.00 0.00 C ATOM 0 HA PRO A 48 -15.051 -3.772 -12.007 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.941 -2.013 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.522 -2.025 -11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.945 0.001 -10.493 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.254 -0.559 -12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.841 -1.134 -9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.438 -0.796 -11.212 1.00 0.00 H new ATOM 752 N ILE A 49 -13.727 -4.833 -9.960 1.00 0.00 N ATOM 753 CA ILE A 49 -13.329 -5.856 -9.000 1.00 0.00 C ATOM 754 C ILE A 49 -12.411 -5.246 -7.952 1.00 0.00 C ATOM 755 O ILE A 49 -11.338 -4.731 -8.281 1.00 0.00 O ATOM 756 CB ILE A 49 -12.584 -6.975 -9.736 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.257 -7.222 -11.096 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.597 -8.261 -8.894 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.715 -7.668 -10.914 1.00 0.00 C ATOM 0 H ILE A 49 -12.984 -4.542 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.216 -6.260 -8.512 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.547 -6.678 -9.895 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.223 -6.311 -11.694 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.705 -7.985 -11.646 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.065 -9.050 -9.426 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.108 -8.075 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.627 -8.572 -8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.169 -7.836 -11.891 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.743 -8.592 -10.337 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.269 -6.893 -10.385 1.00 0.00 H new ATOM 771 N HIS A 50 -12.839 -5.312 -6.694 1.00 0.00 N ATOM 772 CA HIS A 50 -12.052 -4.772 -5.589 1.00 0.00 C ATOM 773 C HIS A 50 -11.357 -5.901 -4.853 1.00 0.00 C ATOM 774 O HIS A 50 -12.004 -6.832 -4.376 1.00 0.00 O ATOM 775 CB HIS A 50 -12.961 -4.012 -4.615 1.00 0.00 C ATOM 776 CG HIS A 50 -13.365 -2.691 -5.216 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.469 -2.263 -6.515 1.00 0.00 N flip ATOM 778 CD2 HIS A 50 -13.705 -1.601 -4.432 1.00 0.00 C flip ATOM 779 CE1 HIS A 50 -13.863 -0.929 -6.541 1.00 0.00 C flip ATOM 780 NE2 HIS A 50 -13.990 -0.578 -5.259 1.00 0.00 N flip ATOM 0 H HIS A 50 -13.725 -5.733 -6.415 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.306 -4.087 -5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.847 -4.606 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.441 -3.848 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.736 -1.576 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.030 -0.311 -7.411 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.269 0.351 -4.945 1.00 0.00 H new ATOM 788 N ILE A 51 -10.031 -5.814 -4.766 1.00 0.00 N ATOM 789 CA ILE A 51 -9.246 -6.838 -4.083 1.00 0.00 C ATOM 790 C ILE A 51 -8.333 -6.194 -3.053 1.00 0.00 C ATOM 791 O ILE A 51 -7.929 -5.040 -3.210 1.00 0.00 O ATOM 792 CB ILE A 51 -8.415 -7.631 -5.105 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.361 -6.722 -5.755 1.00 0.00 C ATOM 794 CG2 ILE A 51 -9.345 -8.170 -6.197 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.546 -7.528 -6.770 1.00 0.00 C ATOM 0 H ILE A 51 -9.481 -5.049 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.924 -7.522 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.914 -8.452 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.846 -5.880 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.703 -6.307 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.762 -8.734 -6.926 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.094 -8.823 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.842 -7.338 -6.695 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.798 -6.883 -7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.049 -8.355 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.210 -7.921 -7.540 1.00 0.00 H new ATOM 807 N GLU A 52 -8.004 -6.944 -2.000 1.00 0.00 N ATOM 808 CA GLU A 52 -7.129 -6.429 -0.943 1.00 0.00 C ATOM 809 C GLU A 52 -5.926 -7.340 -0.772 1.00 0.00 C ATOM 810 O GLU A 52 -6.059 -8.563 -0.756 1.00 0.00 O ATOM 811 CB GLU A 52 -7.902 -6.328 0.374 1.00 0.00 C ATOM 812 CG GLU A 52 -8.347 -7.724 0.824 1.00 0.00 C ATOM 813 CD GLU A 52 -7.220 -8.427 1.575 1.00 0.00 C ATOM 814 OE1 GLU A 52 -6.519 -7.759 2.318 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.078 -9.627 1.404 1.00 0.00 O ATOM 0 H GLU A 52 -8.326 -7.901 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.781 -5.435 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.275 -5.872 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.771 -5.683 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.225 -7.643 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.639 -8.316 -0.043 1.00 0.00 H new ATOM 822 N THR A 53 -4.746 -6.737 -0.652 1.00 0.00 N ATOM 823 CA THR A 53 -3.513 -7.503 -0.479 1.00 0.00 C ATOM 824 C THR A 53 -2.711 -6.929 0.678 1.00 0.00 C ATOM 825 O THR A 53 -2.643 -5.711 0.855 1.00 0.00 O ATOM 826 CB THR A 53 -2.674 -7.452 -1.758 1.00 0.00 C ATOM 827 OG1 THR A 53 -1.841 -6.300 -1.728 1.00 0.00 O ATOM 828 CG2 THR A 53 -3.592 -7.379 -2.985 1.00 0.00 C ATOM 0 H THR A 53 -4.617 -5.725 -0.671 1.00 0.00 H new ATOM 0 HA THR A 53 -3.771 -8.540 -0.265 1.00 0.00 H new ATOM 0 HB THR A 53 -2.062 -8.352 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.336 -5.529 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.987 -7.343 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.234 -8.260 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.209 -6.482 -2.925 1.00 0.00 H new ATOM 836 N ARG A 54 -2.103 -7.818 1.462 1.00 0.00 N ATOM 837 CA ARG A 54 -1.310 -7.404 2.615 1.00 0.00 C ATOM 838 C ARG A 54 -0.514 -6.145 2.293 1.00 0.00 C ATOM 839 O ARG A 54 -0.352 -5.266 3.140 1.00 0.00 O ATOM 840 CB ARG A 54 -0.353 -8.529 3.012 1.00 0.00 C ATOM 841 CG ARG A 54 -1.160 -9.783 3.350 1.00 0.00 C ATOM 842 CD ARG A 54 -0.208 -10.928 3.705 1.00 0.00 C ATOM 843 NE ARG A 54 0.502 -10.628 4.945 1.00 0.00 N ATOM 844 CZ ARG A 54 1.431 -11.451 5.424 1.00 0.00 C ATOM 845 NH1 ARG A 54 1.713 -12.559 4.793 1.00 0.00 N ATOM 846 NH2 ARG A 54 2.059 -11.154 6.529 1.00 0.00 N ATOM 0 H ARG A 54 -2.145 -8.827 1.319 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.985 -7.188 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.340 -8.737 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.247 -8.226 3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.830 -9.582 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.784 -10.065 2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.769 -11.856 3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.507 -11.080 2.896 1.00 0.00 H new ATOM 0 HE ARG A 54 0.282 -9.772 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.221 -12.795 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.426 -13.189 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.837 -10.291 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.771 -11.785 6.896 1.00 0.00 H new ATOM 860 N ARG A 55 -0.025 -6.065 1.063 1.00 0.00 N ATOM 861 CA ARG A 55 0.744 -4.905 0.640 1.00 0.00 C ATOM 862 C ARG A 55 -0.174 -3.708 0.388 1.00 0.00 C ATOM 863 O ARG A 55 0.083 -2.605 0.872 1.00 0.00 O ATOM 864 CB ARG A 55 1.514 -5.237 -0.642 1.00 0.00 C ATOM 865 CG ARG A 55 2.404 -4.054 -1.031 1.00 0.00 C ATOM 866 CD ARG A 55 3.178 -4.394 -2.303 1.00 0.00 C ATOM 867 NE ARG A 55 2.254 -4.590 -3.415 1.00 0.00 N ATOM 868 CZ ARG A 55 1.777 -3.558 -4.103 1.00 0.00 C ATOM 869 NH1 ARG A 55 2.124 -2.341 -3.779 1.00 0.00 N ATOM 870 NH2 ARG A 55 0.962 -3.758 -5.102 1.00 0.00 N ATOM 0 H ARG A 55 -0.146 -6.782 0.348 1.00 0.00 H new ATOM 0 HA ARG A 55 1.444 -4.646 1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.123 -6.128 -0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.816 -5.460 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.795 -3.164 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.097 -3.825 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.877 -3.591 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.769 -5.296 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 55 1.969 -5.536 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.761 -2.183 -2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.758 -1.549 -4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.690 -4.708 -5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.597 -2.965 -5.629 1.00 0.00 H new ATOM 884 N VAL A 56 -1.239 -3.931 -0.382 1.00 0.00 N ATOM 885 CA VAL A 56 -2.180 -2.859 -0.698 1.00 0.00 C ATOM 886 C VAL A 56 -3.398 -3.411 -1.412 1.00 0.00 C ATOM 887 O VAL A 56 -3.489 -4.610 -1.662 1.00 0.00 O ATOM 888 CB VAL A 56 -1.495 -1.811 -1.586 1.00 0.00 C ATOM 889 CG1 VAL A 56 -1.193 -2.414 -2.962 1.00 0.00 C ATOM 890 CG2 VAL A 56 -2.387 -0.560 -1.748 1.00 0.00 C ATOM 0 H VAL A 56 -1.470 -4.835 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.501 -2.394 0.234 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.563 -1.510 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.707 -1.666 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.533 -3.274 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.124 -2.732 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.881 0.168 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.333 -0.845 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.577 -0.120 -0.769 1.00 0.00 H new ATOM 900 N SER A 57 -4.326 -2.524 -1.760 1.00 0.00 N ATOM 901 CA SER A 57 -5.533 -2.924 -2.477 1.00 0.00 C ATOM 902 C SER A 57 -5.464 -2.452 -3.924 1.00 0.00 C ATOM 903 O SER A 57 -4.645 -1.600 -4.271 1.00 0.00 O ATOM 904 CB SER A 57 -6.776 -2.336 -1.803 1.00 0.00 C ATOM 905 OG SER A 57 -7.801 -2.180 -2.777 1.00 0.00 O ATOM 0 H SER A 57 -4.266 -1.526 -1.558 1.00 0.00 H new ATOM 0 HA SER A 57 -5.601 -4.012 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.115 -2.992 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.539 -1.374 -1.349 1.00 0.00 H new ATOM 0 HG SER A 57 -8.126 -3.062 -3.054 1.00 0.00 H new ATOM 911 N LEU A 58 -6.324 -3.018 -4.766 1.00 0.00 N ATOM 912 CA LEU A 58 -6.358 -2.655 -6.182 1.00 0.00 C ATOM 913 C LEU A 58 -7.773 -2.798 -6.728 1.00 0.00 C ATOM 914 O LEU A 58 -8.523 -3.685 -6.316 1.00 0.00 O ATOM 915 CB LEU A 58 -5.402 -3.557 -6.977 1.00 0.00 C ATOM 916 CG LEU A 58 -5.403 -3.173 -8.469 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.932 -1.720 -8.654 1.00 0.00 C ATOM 918 CD2 LEU A 58 -4.468 -4.121 -9.228 1.00 0.00 C ATOM 0 H LEU A 58 -7.005 -3.727 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.042 -1.617 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.393 -3.469 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.700 -4.599 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.417 -3.258 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.939 -1.467 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.602 -1.049 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.920 -1.613 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.462 -3.857 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.458 -4.035 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.818 -5.147 -9.112 1.00 0.00 H new ATOM 930 N VAL A 59 -8.130 -1.926 -7.669 1.00 0.00 N ATOM 931 CA VAL A 59 -9.455 -1.973 -8.289 1.00 0.00 C ATOM 932 C VAL A 59 -9.315 -1.994 -9.798 1.00 0.00 C ATOM 933 O VAL A 59 -8.692 -1.109 -10.385 1.00 0.00 O ATOM 934 CB VAL A 59 -10.282 -0.751 -7.874 1.00 0.00 C ATOM 935 CG1 VAL A 59 -11.575 -0.689 -8.702 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.612 -0.852 -6.388 1.00 0.00 C ATOM 0 H VAL A 59 -7.525 -1.182 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.963 -2.878 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.709 0.158 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.158 0.182 -8.402 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.326 -0.612 -9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.160 -1.593 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.200 0.015 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.184 -1.761 -6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.688 -0.882 -5.811 1.00 0.00 H new ATOM 946 N LEU A 60 -9.904 -3.005 -10.431 1.00 0.00 N ATOM 947 CA LEU A 60 -9.833 -3.117 -11.888 1.00 0.00 C ATOM 948 C LEU A 60 -11.134 -3.687 -12.450 1.00 0.00 C ATOM 949 O LEU A 60 -11.968 -4.190 -11.706 1.00 0.00 O ATOM 950 CB LEU A 60 -8.658 -4.006 -12.307 1.00 0.00 C ATOM 951 CG LEU A 60 -7.314 -3.320 -12.017 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.182 -4.327 -12.250 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.122 -2.098 -12.940 1.00 0.00 C ATOM 0 H LEU A 60 -10.428 -3.748 -9.969 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.681 -2.116 -12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.708 -4.955 -11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.732 -4.234 -13.370 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.301 -2.977 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.223 -3.850 -12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.311 -5.180 -11.584 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.206 -4.668 -13.285 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.165 -1.624 -12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.137 -2.422 -13.981 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.928 -1.384 -12.771 1.00 0.00 H new ATOM 965 N ARG A 61 -11.303 -3.598 -13.771 1.00 0.00 N ATOM 966 CA ARG A 61 -12.515 -4.105 -14.416 1.00 0.00 C ATOM 967 C ARG A 61 -12.435 -5.609 -14.647 1.00 0.00 C ATOM 968 O ARG A 61 -11.361 -6.158 -14.876 1.00 0.00 O ATOM 969 CB ARG A 61 -12.742 -3.399 -15.749 1.00 0.00 C ATOM 970 CG ARG A 61 -13.101 -1.940 -15.483 1.00 0.00 C ATOM 971 CD ARG A 61 -13.497 -1.270 -16.792 1.00 0.00 C ATOM 972 NE ARG A 61 -12.335 -1.101 -17.654 1.00 0.00 N ATOM 973 CZ ARG A 61 -12.450 -0.564 -18.865 1.00 0.00 C ATOM 974 NH1 ARG A 61 -13.618 -0.181 -19.302 1.00 0.00 N ATOM 975 NH2 ARG A 61 -11.393 -0.419 -19.618 1.00 0.00 N ATOM 0 H ARG A 61 -10.623 -3.184 -14.409 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.352 -3.902 -13.748 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.845 -3.460 -16.365 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.543 -3.889 -16.303 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.922 -1.880 -14.768 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.252 -1.420 -15.038 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.250 -1.872 -17.301 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.949 -0.299 -16.588 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.418 -1.400 -17.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.444 -0.293 -18.715 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.705 0.231 -20.231 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.479 -0.718 -19.277 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.481 -0.007 -20.547 1.00 0.00 H new ATOM 989 N LYS A 62 -13.584 -6.271 -14.585 1.00 0.00 N ATOM 990 CA LYS A 62 -13.642 -7.721 -14.782 1.00 0.00 C ATOM 991 C LYS A 62 -12.740 -8.146 -15.945 1.00 0.00 C ATOM 992 O LYS A 62 -12.050 -9.170 -15.876 1.00 0.00 O ATOM 993 CB LYS A 62 -15.089 -8.182 -15.055 1.00 0.00 C ATOM 994 CG LYS A 62 -15.928 -6.995 -15.486 1.00 0.00 C ATOM 995 CD LYS A 62 -17.300 -7.480 -15.908 1.00 0.00 C ATOM 996 CE LYS A 62 -18.134 -6.260 -16.227 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.460 -6.682 -16.749 1.00 0.00 N ATOM 0 H LYS A 62 -14.486 -5.833 -14.401 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.288 -8.194 -13.866 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.097 -8.947 -15.831 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.513 -8.633 -14.158 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.018 -6.282 -14.667 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.444 -6.473 -16.312 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.225 -8.132 -16.778 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.762 -8.063 -15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.262 -5.651 -15.332 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.623 -5.641 -16.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.031 -5.841 -16.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.330 -7.246 -17.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.949 -7.255 -16.032 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.759 -7.355 -17.011 1.00 0.00 N ATOM 1012 CA LYS A 63 -11.957 -7.655 -18.187 1.00 0.00 C ATOM 1013 C LYS A 63 -10.490 -7.806 -17.809 1.00 0.00 C ATOM 1014 O LYS A 63 -9.785 -8.667 -18.335 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.111 -6.528 -19.215 1.00 0.00 C ATOM 1016 CG LYS A 63 -11.660 -7.015 -20.594 1.00 0.00 C ATOM 1017 CD LYS A 63 -11.957 -5.941 -21.648 1.00 0.00 C ATOM 1018 CE LYS A 63 -11.084 -4.704 -21.405 1.00 0.00 C ATOM 1019 NZ LYS A 63 -11.022 -3.890 -22.652 1.00 0.00 N ATOM 0 H LYS A 63 -13.319 -6.505 -17.084 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.305 -8.594 -18.618 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.150 -6.202 -19.257 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.518 -5.665 -18.913 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.593 -7.238 -20.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.176 -7.941 -20.849 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.768 -6.338 -22.645 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.011 -5.665 -21.609 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.495 -4.109 -20.589 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.081 -5.006 -21.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.430 -3.050 -22.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.611 -4.460 -23.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.981 -3.591 -22.919 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.036 -6.964 -16.892 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.652 -7.016 -16.450 1.00 0.00 C ATOM 1035 C ASP A 64 -8.350 -8.362 -15.806 1.00 0.00 C ATOM 1036 O ASP A 64 -7.286 -8.935 -16.014 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.396 -5.921 -15.428 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.622 -4.554 -16.061 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -7.970 -4.268 -17.051 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.449 -3.816 -15.552 1.00 0.00 O ATOM 0 H ASP A 64 -10.601 -6.243 -16.443 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.009 -6.876 -17.319 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.059 -6.049 -14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.375 -5.993 -15.054 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.291 -8.857 -15.012 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.104 -10.132 -14.330 1.00 0.00 C ATOM 1047 C LEU A 65 -8.965 -11.250 -15.349 1.00 0.00 C ATOM 1048 O LEU A 65 -8.120 -12.134 -15.204 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.290 -10.427 -13.402 1.00 0.00 C ATOM 1050 CG LEU A 65 -10.247 -9.526 -12.151 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.023 -9.837 -11.273 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.205 -8.062 -12.576 1.00 0.00 C ATOM 0 H LEU A 65 -10.184 -8.400 -14.825 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.195 -10.072 -13.731 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.225 -10.267 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.270 -11.475 -13.102 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.145 -9.722 -11.565 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.025 -9.183 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.063 -10.876 -10.947 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.112 -9.672 -11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.175 -7.427 -11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.316 -7.884 -13.181 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.094 -7.827 -13.161 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.792 -11.208 -16.385 1.00 0.00 N ATOM 1065 CA ALA A 66 -9.728 -12.232 -17.418 1.00 0.00 C ATOM 1066 C ALA A 66 -8.379 -12.175 -18.128 1.00 0.00 C ATOM 1067 O ALA A 66 -7.774 -13.207 -18.418 1.00 0.00 O ATOM 1068 CB ALA A 66 -10.853 -12.022 -18.431 1.00 0.00 C ATOM 0 H ALA A 66 -10.502 -10.491 -16.531 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.844 -13.210 -16.952 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.798 -12.792 -19.200 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.816 -12.084 -17.924 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.749 -11.040 -18.892 1.00 0.00 H new ATOM 1074 N LEU A 67 -7.914 -10.961 -18.405 1.00 0.00 N ATOM 1075 CA LEU A 67 -6.634 -10.777 -19.080 1.00 0.00 C ATOM 1076 C LEU A 67 -5.476 -11.196 -18.181 1.00 0.00 C ATOM 1077 O LEU A 67 -4.527 -11.833 -18.632 1.00 0.00 O ATOM 1078 CB LEU A 67 -6.466 -9.311 -19.480 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.486 -8.949 -20.565 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.454 -7.434 -20.795 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.163 -9.692 -21.878 1.00 0.00 C ATOM 0 H LEU A 67 -8.401 -10.095 -18.174 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.625 -11.405 -19.971 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.604 -8.669 -18.610 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.454 -9.138 -19.847 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.482 -9.250 -20.239 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.177 -7.168 -21.566 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.706 -6.920 -19.868 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.456 -7.136 -21.115 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.897 -9.424 -22.638 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.167 -9.410 -22.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.196 -10.768 -21.705 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.555 -10.832 -16.909 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.502 -11.172 -15.964 1.00 0.00 C ATOM 1095 C LEU A 68 -4.479 -12.674 -15.720 1.00 0.00 C ATOM 1096 O LEU A 68 -5.523 -13.301 -15.545 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.741 -10.431 -14.648 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.513 -8.927 -14.849 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.083 -8.169 -13.648 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.012 -8.619 -14.986 1.00 0.00 C ATOM 0 H LEU A 68 -6.332 -10.305 -16.510 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.539 -10.873 -16.378 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.758 -10.610 -14.299 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.068 -10.810 -13.879 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.016 -8.612 -15.763 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.924 -7.099 -13.784 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.151 -8.370 -13.565 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.580 -8.497 -12.738 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.872 -7.547 -15.128 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.491 -8.937 -14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.608 -9.155 -15.845 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.280 -13.252 -15.716 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.146 -14.688 -15.498 1.00 0.00 C ATOM 1114 C GLU A 69 -3.210 -15.004 -14.011 1.00 0.00 C ATOM 1115 O GLU A 69 -2.301 -14.664 -13.251 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.819 -15.191 -16.073 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.794 -14.959 -17.587 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.844 -15.834 -18.266 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -3.276 -16.793 -17.650 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -3.205 -15.525 -19.390 1.00 0.00 O ATOM 0 H GLU A 69 -2.400 -12.756 -15.859 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.969 -15.191 -16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.986 -14.670 -15.601 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.696 -16.252 -15.855 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.987 -13.909 -17.806 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.805 -15.190 -17.982 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.293 -15.664 -13.600 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.479 -16.033 -12.197 1.00 0.00 C ATOM 1129 C VAL A 70 -4.863 -17.499 -12.075 1.00 0.00 C ATOM 1130 O VAL A 70 -5.387 -18.096 -13.014 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.574 -15.170 -11.558 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.079 -13.730 -11.382 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.810 -15.178 -12.464 1.00 0.00 C ATOM 0 H VAL A 70 -5.052 -15.953 -14.217 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.536 -15.865 -11.677 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.827 -15.577 -10.579 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.866 -13.128 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.199 -13.724 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.819 -13.313 -12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.593 -14.566 -12.016 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.547 -14.773 -13.441 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.170 -16.200 -12.580 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.590 -18.077 -10.905 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.906 -19.488 -10.662 1.00 0.00 C ATOM 1145 C GLU A 71 -5.351 -19.705 -9.222 1.00 0.00 C ATOM 1146 O GLU A 71 -4.873 -19.039 -8.307 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.681 -20.360 -10.947 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.387 -20.353 -12.451 1.00 0.00 C ATOM 1149 CD GLU A 71 -2.174 -21.228 -12.757 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -1.658 -21.835 -11.833 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -1.782 -21.280 -13.910 1.00 0.00 O ATOM 0 H GLU A 71 -4.155 -17.597 -10.117 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.720 -19.769 -11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.819 -19.986 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.860 -21.380 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.255 -20.718 -13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.203 -19.333 -12.788 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.260 -20.653 -9.025 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.753 -20.956 -7.687 1.00 0.00 C ATOM 1160 C ALA A 72 -5.641 -21.573 -6.846 1.00 0.00 C ATOM 1161 O ALA A 72 -4.823 -22.344 -7.349 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.932 -21.927 -7.771 1.00 0.00 C ATOM 0 H ALA A 72 -6.668 -21.221 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.084 -20.029 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.294 -22.148 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.734 -21.476 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.609 -22.851 -8.251 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.612 -21.227 -5.561 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.590 -21.749 -4.653 1.00 0.00 C ATOM 1170 C VAL A 73 -5.144 -22.919 -3.848 1.00 0.00 C ATOM 1171 O VAL A 73 -6.223 -22.829 -3.264 1.00 0.00 O ATOM 1172 CB VAL A 73 -4.132 -20.647 -3.696 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -3.027 -21.187 -2.784 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.596 -19.466 -4.504 1.00 0.00 C ATOM 0 H VAL A 73 -6.280 -20.591 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.742 -22.093 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.975 -20.320 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.701 -20.401 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.409 -22.030 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.182 -21.514 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.269 -18.679 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.753 -19.794 -5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.383 -19.081 -5.152 1.00 0.00 H new ATOM 1184 N SER A 74 -4.397 -24.021 -3.826 1.00 0.00 N ATOM 1185 CA SER A 74 -4.818 -25.211 -3.091 1.00 0.00 C ATOM 1186 C SER A 74 -3.602 -25.984 -2.585 1.00 0.00 C ATOM 1187 O SER A 74 -3.375 -26.081 -1.379 1.00 0.00 O ATOM 1188 CB SER A 74 -5.656 -26.111 -4.000 1.00 0.00 C ATOM 1189 OG SER A 74 -4.934 -26.372 -5.196 1.00 0.00 O ATOM 0 H SER A 74 -3.502 -24.114 -4.306 1.00 0.00 H new ATOM 0 HA SER A 74 -5.417 -24.898 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.889 -27.046 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.606 -25.629 -4.233 1.00 0.00 H new ATOM 0 HG SER A 74 -5.467 -26.950 -5.781 1.00 0.00 H new ATOM 1195 N SER A 75 -2.822 -26.531 -3.516 1.00 0.00 N ATOM 1196 CA SER A 75 -1.624 -27.291 -3.158 1.00 0.00 C ATOM 1197 C SER A 75 -0.423 -26.360 -3.011 1.00 0.00 C ATOM 1198 O SER A 75 -0.294 -25.382 -3.746 1.00 0.00 O ATOM 1199 CB SER A 75 -1.333 -28.340 -4.229 1.00 0.00 C ATOM 1200 OG SER A 75 -2.405 -29.273 -4.270 1.00 0.00 O ATOM 0 H SER A 75 -2.996 -26.463 -4.519 1.00 0.00 H new ATOM 0 HA SER A 75 -1.802 -27.788 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.213 -27.862 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.397 -28.853 -4.009 1.00 0.00 H new ATOM 0 HG SER A 75 -2.225 -29.948 -4.957 1.00 0.00 H new ATOM 1206 N LEU A 76 0.447 -26.664 -2.052 1.00 0.00 N ATOM 1207 CA LEU A 76 1.627 -25.837 -1.821 1.00 0.00 C ATOM 1208 C LEU A 76 2.531 -25.854 -3.054 1.00 0.00 C ATOM 1209 O LEU A 76 2.999 -24.811 -3.508 1.00 0.00 O ATOM 1210 CB LEU A 76 2.390 -26.366 -0.593 1.00 0.00 C ATOM 1211 CG LEU A 76 3.222 -25.245 0.053 1.00 0.00 C ATOM 1212 CD1 LEU A 76 3.878 -25.783 1.330 1.00 0.00 C ATOM 1213 CD2 LEU A 76 4.304 -24.747 -0.923 1.00 0.00 C ATOM 0 H LEU A 76 0.359 -27.467 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 76 1.317 -24.809 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.685 -26.768 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.044 -27.186 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 76 2.569 -24.407 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.470 -24.995 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.106 -26.114 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.525 -26.624 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.883 -23.954 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.965 -25.573 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.830 -24.361 -1.826 1.00 0.00 H new ATOM 1225 N GLU A 77 2.765 -27.045 -3.598 1.00 0.00 N ATOM 1226 CA GLU A 77 3.610 -27.181 -4.779 1.00 0.00 C ATOM 1227 C GLU A 77 4.945 -26.477 -4.558 1.00 0.00 C ATOM 1228 O GLU A 77 5.060 -25.269 -4.762 1.00 0.00 O ATOM 1229 CB GLU A 77 2.910 -26.578 -5.999 1.00 0.00 C ATOM 1230 CG GLU A 77 3.748 -26.841 -7.254 1.00 0.00 C ATOM 1231 CD GLU A 77 3.041 -26.274 -8.480 1.00 0.00 C ATOM 1232 OE1 GLU A 77 2.105 -25.512 -8.300 1.00 0.00 O ATOM 1233 OE2 GLU A 77 3.443 -26.612 -9.581 1.00 0.00 O ATOM 0 H GLU A 77 2.385 -27.922 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 77 3.791 -28.241 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.918 -27.014 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.773 -25.506 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.732 -26.384 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.906 -27.912 -7.378 1.00 0.00 H new ATOM 1240 N HIS A 78 5.951 -27.240 -4.141 1.00 0.00 N ATOM 1241 CA HIS A 78 7.275 -26.678 -3.896 1.00 0.00 C ATOM 1242 C HIS A 78 8.033 -26.516 -5.209 1.00 0.00 C ATOM 1243 O HIS A 78 7.758 -27.212 -6.185 1.00 0.00 O ATOM 1244 CB HIS A 78 8.068 -27.589 -2.959 1.00 0.00 C ATOM 1245 CG HIS A 78 7.386 -27.649 -1.621 1.00 0.00 C ATOM 1246 ND1 HIS A 78 6.473 -28.640 -1.303 1.00 0.00 N ATOM 1247 CD2 HIS A 78 7.472 -26.846 -0.511 1.00 0.00 C ATOM 1248 CE1 HIS A 78 6.048 -28.412 -0.047 1.00 0.00 C ATOM 1249 NE2 HIS A 78 6.625 -27.330 0.482 1.00 0.00 N ATOM 0 H HIS A 78 5.876 -28.242 -3.967 1.00 0.00 H new ATOM 0 HA HIS A 78 7.154 -25.700 -3.431 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.144 -28.589 -3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.085 -27.213 -2.844 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.177 -29.404 -1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.101 -25.972 -0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.328 -29.029 0.470 1.00 0.00 H new ATOM 1257 N HIS A 79 8.992 -25.589 -5.227 1.00 0.00 N ATOM 1258 CA HIS A 79 9.794 -25.337 -6.427 1.00 0.00 C ATOM 1259 C HIS A 79 11.275 -25.264 -6.074 1.00 0.00 C ATOM 1260 O HIS A 79 11.652 -24.714 -5.040 1.00 0.00 O ATOM 1261 CB HIS A 79 9.359 -24.020 -7.074 1.00 0.00 C ATOM 1262 CG HIS A 79 7.921 -24.124 -7.499 1.00 0.00 C ATOM 1263 ND1 HIS A 79 7.523 -24.900 -8.576 1.00 0.00 N ATOM 1264 CD2 HIS A 79 6.775 -23.555 -7.003 1.00 0.00 C ATOM 1265 CE1 HIS A 79 6.188 -24.780 -8.692 1.00 0.00 C ATOM 1266 NE2 HIS A 79 5.682 -23.971 -7.757 1.00 0.00 N ATOM 0 H HIS A 79 9.232 -25.002 -4.428 1.00 0.00 H new ATOM 0 HA HIS A 79 9.638 -26.158 -7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.483 -23.198 -6.370 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.989 -23.800 -7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.728 -22.886 -6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.598 -25.277 -9.448 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.704 -23.713 -7.624 1.00 0.00 H new ATOM 1274 N HIS A 80 12.113 -25.829 -6.942 1.00 0.00 N ATOM 1275 CA HIS A 80 13.560 -25.831 -6.723 1.00 0.00 C ATOM 1276 C HIS A 80 14.300 -25.631 -8.041 1.00 0.00 C ATOM 1277 O HIS A 80 13.807 -26.008 -9.105 1.00 0.00 O ATOM 1278 CB HIS A 80 13.990 -27.157 -6.093 1.00 0.00 C ATOM 1279 CG HIS A 80 13.385 -27.279 -4.721 1.00 0.00 C ATOM 1280 ND1 HIS A 80 12.220 -27.992 -4.486 1.00 0.00 N ATOM 1281 CD2 HIS A 80 13.772 -26.782 -3.502 1.00 0.00 C ATOM 1282 CE1 HIS A 80 11.948 -27.905 -3.171 1.00 0.00 C ATOM 1283 NE2 HIS A 80 12.863 -27.179 -2.524 1.00 0.00 N ATOM 0 H HIS A 80 11.816 -26.291 -7.802 1.00 0.00 H new ATOM 0 HA HIS A 80 13.808 -25.010 -6.050 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.670 -27.990 -6.719 1.00 0.00 H new ATOM 0 HB3 HIS A 80 15.077 -27.206 -6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 80 14.648 -26.175 -3.327 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.094 -28.366 -2.697 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.890 -26.962 -1.528 1.00 0.00 H new ATOM 1291 N HIS A 81 15.484 -25.034 -7.962 1.00 0.00 N ATOM 1292 CA HIS A 81 16.286 -24.787 -9.154 1.00 0.00 C ATOM 1293 C HIS A 81 17.000 -26.062 -9.591 1.00 0.00 C ATOM 1294 O HIS A 81 17.471 -26.839 -8.761 1.00 0.00 O ATOM 1295 CB HIS A 81 17.317 -23.694 -8.869 1.00 0.00 C ATOM 1296 CG HIS A 81 16.612 -22.381 -8.666 1.00 0.00 C ATOM 1297 ND1 HIS A 81 16.055 -22.021 -7.449 1.00 0.00 N ATOM 1298 CD2 HIS A 81 16.366 -21.331 -9.516 1.00 0.00 C ATOM 1299 CE1 HIS A 81 15.506 -20.801 -7.600 1.00 0.00 C ATOM 1300 NE2 HIS A 81 15.667 -20.335 -8.841 1.00 0.00 N ATOM 0 H HIS A 81 15.907 -24.714 -7.091 1.00 0.00 H new ATOM 0 HA HIS A 81 15.624 -24.462 -9.956 1.00 0.00 H new ATOM 0 HB2 HIS A 81 17.897 -23.949 -7.982 1.00 0.00 H new ATOM 0 HB3 HIS A 81 18.020 -23.617 -9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 81 16.669 -21.285 -10.552 1.00 0.00 H new ATOM 0 HE1 HIS A 81 14.997 -20.264 -6.813 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.347 -19.441 -9.214 1.00 0.00 H new ATOM 1308 N HIS A 82 17.075 -26.272 -10.901 1.00 0.00 N ATOM 1309 CA HIS A 82 17.732 -27.456 -11.439 1.00 0.00 C ATOM 1310 C HIS A 82 19.226 -27.425 -11.131 1.00 0.00 C ATOM 1311 O HIS A 82 19.823 -28.449 -10.802 1.00 0.00 O ATOM 1312 CB HIS A 82 17.520 -27.530 -12.952 1.00 0.00 C ATOM 1313 CG HIS A 82 16.075 -27.827 -13.242 1.00 0.00 C ATOM 1314 ND1 HIS A 82 15.126 -26.825 -13.372 1.00 0.00 N ATOM 1315 CD2 HIS A 82 15.400 -29.007 -13.431 1.00 0.00 C ATOM 1316 CE1 HIS A 82 13.944 -27.415 -13.626 1.00 0.00 C ATOM 1317 NE2 HIS A 82 14.055 -28.745 -13.672 1.00 0.00 N ATOM 0 H HIS A 82 16.691 -25.642 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 82 17.294 -28.337 -10.970 1.00 0.00 H new ATOM 0 HB2 HIS A 82 17.809 -26.587 -13.417 1.00 0.00 H new ATOM 0 HB3 HIS A 82 18.155 -28.305 -13.381 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.846 -29.990 -13.398 1.00 0.00 H new ATOM 0 HE1 HIS A 82 13.018 -26.879 -13.775 1.00 0.00 H new ATOM 0 HE2 HIS A 82 13.313 -29.423 -13.846 1.00 0.00 H new ATOM 1325 N HIS A 83 19.823 -26.243 -11.244 1.00 0.00 N ATOM 1326 CA HIS A 83 21.248 -26.089 -10.976 1.00 0.00 C ATOM 1327 C HIS A 83 21.514 -26.081 -9.475 1.00 0.00 C ATOM 1328 O HIS A 83 21.955 -27.098 -8.966 1.00 0.00 O ATOM 1329 CB HIS A 83 21.758 -24.784 -11.594 1.00 0.00 C ATOM 1330 CG HIS A 83 23.259 -24.741 -11.506 1.00 0.00 C ATOM 1331 ND1 HIS A 83 23.919 -24.231 -10.399 1.00 0.00 N ATOM 1332 CD2 HIS A 83 24.241 -25.140 -12.378 1.00 0.00 C ATOM 1333 CE1 HIS A 83 25.240 -24.334 -10.631 1.00 0.00 C ATOM 1334 NE2 HIS A 83 25.492 -24.882 -11.823 1.00 0.00 N ATOM 1335 OXT HIS A 83 21.273 -25.057 -8.855 1.00 0.00 O ATOM 0 H HIS A 83 19.346 -25.384 -11.517 1.00 0.00 H new ATOM 0 HA HIS A 83 21.775 -26.933 -11.422 1.00 0.00 H new ATOM 0 HB2 HIS A 83 21.442 -24.714 -12.635 1.00 0.00 H new ATOM 0 HB3 HIS A 83 21.328 -23.929 -11.072 1.00 0.00 H new ATOM 0 HD2 HIS A 83 24.070 -25.586 -13.347 1.00 0.00 H new ATOM 0 HE1 HIS A 83 26.004 -24.013 -9.938 1.00 0.00 H new ATOM 0 HE2 HIS A 83 26.405 -25.071 -12.238 1.00 0.00 H new TER 1343 HIS A 83