USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 648 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 68 HIS : no HD1:sc= -2.13 K(o=-7.5,f=-11) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -4.31 K(o=-7.5,f=-15!) USER MOD Set 1.3: A 74 ASN :FLIP amide:sc= -1.02 F(o=-11,f=-7.5) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 30 ASN :FLIP amide:sc= -1.95! C(o=-7.1!,f=-5.6!) USER MOD Set 3.2: A 41 MET CE :methyl 143:sc= -3.67! (180deg=-5.54!) USER MOD Set 4.1: A 34 HIS :FLIP no HE2:sc= -4.97! C(o=-6.3!,f=-5.1!) USER MOD Set 4.2: A 35 ASN : amide:sc= -0.13 K(o=-5.1,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 12 MET CE :methyl -124:sc= -0.0462 (180deg=-0.148) USER MOD Single : A 13 ASN :FLIP amide:sc= -2.07 F(o=-6.9!,f=-2.1) USER MOD Single : A 16 MET CE :methyl -115:sc= -0.629 (180deg=-1.47) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc=-0.00702 (180deg=-0.134) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00901 K(o=-0.009,f=-0.85) USER MOD Single : A 29 GLN : amide:sc= -0.0101 K(o=-0.01,f=-0.69) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.474 K(o=-0.47,f=-2) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -43:sc= 0.0396 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00174 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.622 -8.377 -3.560 1.00 0.00 N ATOM 2 CA GLY A 1 21.368 -8.200 -4.793 1.00 0.00 C ATOM 3 C GLY A 1 20.517 -8.440 -6.024 1.00 0.00 C ATOM 4 O GLY A 1 20.914 -9.176 -6.927 1.00 0.00 O ATOM 0 H1 GLY A 1 21.247 -8.202 -2.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.827 -7.707 -3.536 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.256 -9.349 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.774 -7.189 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.216 -8.884 -4.802 1.00 0.00 H new ATOM 8 N SER A 2 19.343 -7.818 -6.061 1.00 0.00 N ATOM 9 CA SER A 2 18.431 -7.971 -7.188 1.00 0.00 C ATOM 10 C SER A 2 18.674 -6.888 -8.235 1.00 0.00 C ATOM 11 O SER A 2 19.006 -5.750 -7.901 1.00 0.00 O ATOM 12 CB SER A 2 16.980 -7.918 -6.709 1.00 0.00 C ATOM 13 OG SER A 2 16.079 -8.045 -7.795 1.00 0.00 O ATOM 0 H SER A 2 19.001 -7.203 -5.323 1.00 0.00 H new ATOM 0 HA SER A 2 18.619 -8.942 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.802 -8.717 -5.990 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.799 -6.976 -6.191 1.00 0.00 H new ATOM 0 HG SER A 2 15.158 -8.010 -7.462 1.00 0.00 H new ATOM 19 N SER A 3 18.505 -7.249 -9.502 1.00 0.00 N ATOM 20 CA SER A 3 18.709 -6.310 -10.599 1.00 0.00 C ATOM 21 C SER A 3 17.479 -6.252 -11.500 1.00 0.00 C ATOM 22 O SER A 3 16.864 -7.276 -11.797 1.00 0.00 O ATOM 23 CB SER A 3 19.937 -6.709 -11.419 1.00 0.00 C ATOM 24 OG SER A 3 20.305 -5.680 -12.321 1.00 0.00 O ATOM 0 H SER A 3 18.227 -8.186 -9.795 1.00 0.00 H new ATOM 0 HA SER A 3 18.872 -5.321 -10.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.770 -6.925 -10.750 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.727 -7.624 -11.973 1.00 0.00 H new ATOM 0 HG SER A 3 21.093 -5.959 -12.832 1.00 0.00 H new ATOM 30 N GLY A 4 17.126 -5.045 -11.933 1.00 0.00 N ATOM 31 CA GLY A 4 15.972 -4.875 -12.796 1.00 0.00 C ATOM 32 C GLY A 4 15.397 -3.474 -12.725 1.00 0.00 C ATOM 33 O GLY A 4 16.108 -2.493 -12.942 1.00 0.00 O ATOM 0 H GLY A 4 17.619 -4.182 -11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.256 -5.096 -13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.203 -5.595 -12.515 1.00 0.00 H new ATOM 37 N SER A 5 14.106 -3.380 -12.423 1.00 0.00 N ATOM 38 CA SER A 5 13.435 -2.089 -12.330 1.00 0.00 C ATOM 39 C SER A 5 12.177 -2.191 -11.473 1.00 0.00 C ATOM 40 O SER A 5 11.562 -3.252 -11.378 1.00 0.00 O ATOM 41 CB SER A 5 13.074 -1.576 -13.726 1.00 0.00 C ATOM 42 OG SER A 5 12.525 -0.272 -13.664 1.00 0.00 O ATOM 0 H SER A 5 13.504 -4.182 -12.239 1.00 0.00 H new ATOM 0 HA SER A 5 14.120 -1.385 -11.857 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.964 -1.570 -14.356 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.358 -2.253 -14.192 1.00 0.00 H new ATOM 0 HG SER A 5 12.304 0.033 -14.569 1.00 0.00 H new ATOM 48 N SER A 6 11.802 -1.078 -10.849 1.00 0.00 N ATOM 49 CA SER A 6 10.620 -1.042 -9.996 1.00 0.00 C ATOM 50 C SER A 6 9.935 0.319 -10.075 1.00 0.00 C ATOM 51 O SER A 6 10.540 1.309 -10.485 1.00 0.00 O ATOM 52 CB SER A 6 11.002 -1.350 -8.547 1.00 0.00 C ATOM 53 OG SER A 6 9.854 -1.399 -7.717 1.00 0.00 O ATOM 0 H SER A 6 12.300 -0.190 -10.918 1.00 0.00 H new ATOM 0 HA SER A 6 9.923 -1.801 -10.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.529 -2.303 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.689 -0.588 -8.179 1.00 0.00 H new ATOM 0 HG SER A 6 10.124 -1.599 -6.796 1.00 0.00 H new ATOM 59 N GLY A 7 8.667 0.360 -9.678 1.00 0.00 N ATOM 60 CA GLY A 7 7.919 1.604 -9.711 1.00 0.00 C ATOM 61 C GLY A 7 6.469 1.398 -10.103 1.00 0.00 C ATOM 62 O GLY A 7 6.167 0.599 -10.989 1.00 0.00 O ATOM 0 H GLY A 7 8.144 -0.445 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.963 2.077 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.389 2.289 -10.417 1.00 0.00 H new ATOM 66 N ILE A 8 5.571 2.119 -9.440 1.00 0.00 N ATOM 67 CA ILE A 8 4.145 2.011 -9.725 1.00 0.00 C ATOM 68 C ILE A 8 3.755 2.881 -10.915 1.00 0.00 C ATOM 69 O ILE A 8 4.400 3.890 -11.198 1.00 0.00 O ATOM 70 CB ILE A 8 3.296 2.417 -8.506 1.00 0.00 C ATOM 71 CG1 ILE A 8 3.836 1.755 -7.237 1.00 0.00 C ATOM 72 CG2 ILE A 8 1.839 2.040 -8.727 1.00 0.00 C ATOM 73 CD1 ILE A 8 3.508 2.516 -5.971 1.00 0.00 C ATOM 0 H ILE A 8 5.805 2.784 -8.703 1.00 0.00 H new ATOM 0 HA ILE A 8 3.948 0.966 -9.963 1.00 0.00 H new ATOM 0 HB ILE A 8 3.357 3.498 -8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.428 0.747 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.918 1.656 -7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.251 2.333 -7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.460 2.554 -9.611 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.760 0.963 -8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.922 1.988 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.939 3.516 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.426 2.593 -5.863 1.00 0.00 H new ATOM 85 N ARG A 9 2.692 2.483 -11.608 1.00 0.00 N ATOM 86 CA ARG A 9 2.215 3.226 -12.767 1.00 0.00 C ATOM 87 C ARG A 9 1.052 4.138 -12.387 1.00 0.00 C ATOM 88 O ARG A 9 0.967 5.277 -12.846 1.00 0.00 O ATOM 89 CB ARG A 9 1.781 2.263 -13.874 1.00 0.00 C ATOM 90 CG ARG A 9 2.934 1.751 -14.722 1.00 0.00 C ATOM 91 CD ARG A 9 3.269 2.716 -15.848 1.00 0.00 C ATOM 92 NE ARG A 9 4.488 2.331 -16.555 1.00 0.00 N ATOM 93 CZ ARG A 9 5.709 2.506 -16.063 1.00 0.00 C ATOM 94 NH1 ARG A 9 5.873 3.056 -14.868 1.00 0.00 N ATOM 95 NH2 ARG A 9 6.769 2.129 -16.767 1.00 0.00 N ATOM 0 H ARG A 9 2.146 1.651 -11.386 1.00 0.00 H new ATOM 0 HA ARG A 9 3.035 3.844 -13.133 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.267 1.414 -13.424 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.061 2.766 -14.520 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.812 1.605 -14.093 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.676 0.778 -15.140 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.438 2.754 -16.552 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.388 3.720 -15.441 1.00 0.00 H new ATOM 0 HE ARG A 9 4.396 1.904 -17.477 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.060 3.346 -14.324 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.812 3.189 -14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.646 1.705 -17.686 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.707 2.264 -16.389 1.00 0.00 H new ATOM 109 N ARG A 10 0.157 3.629 -11.547 1.00 0.00 N ATOM 110 CA ARG A 10 -1.001 4.396 -11.106 1.00 0.00 C ATOM 111 C ARG A 10 -0.924 4.687 -9.611 1.00 0.00 C ATOM 112 O ARG A 10 -0.262 3.982 -8.849 1.00 0.00 O ATOM 113 CB ARG A 10 -2.292 3.638 -11.423 1.00 0.00 C ATOM 114 CG ARG A 10 -2.782 3.839 -12.848 1.00 0.00 C ATOM 115 CD ARG A 10 -1.874 3.146 -13.852 1.00 0.00 C ATOM 116 NE ARG A 10 -2.071 1.699 -13.862 1.00 0.00 N ATOM 117 CZ ARG A 10 -3.033 1.094 -14.549 1.00 0.00 C ATOM 118 NH1 ARG A 10 -3.881 1.806 -15.279 1.00 0.00 N ATOM 119 NH2 ARG A 10 -3.149 -0.228 -14.508 1.00 0.00 N ATOM 0 H ARG A 10 0.212 2.688 -11.158 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.003 5.344 -11.643 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.130 2.574 -11.250 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.071 3.959 -10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.796 3.450 -12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.827 4.905 -13.072 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.065 3.544 -14.848 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.834 3.368 -13.614 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.435 1.122 -13.311 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.796 2.822 -15.314 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.619 1.338 -15.805 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.499 -0.780 -13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.888 -0.692 -15.036 1.00 0.00 H new ATOM 133 N PRO A 11 -1.617 5.752 -9.178 1.00 0.00 N ATOM 134 CA PRO A 11 -1.642 6.161 -7.771 1.00 0.00 C ATOM 135 C PRO A 11 -2.415 5.180 -6.896 1.00 0.00 C ATOM 136 O PRO A 11 -3.162 4.341 -7.399 1.00 0.00 O ATOM 137 CB PRO A 11 -2.352 7.517 -7.809 1.00 0.00 C ATOM 138 CG PRO A 11 -3.191 7.471 -9.038 1.00 0.00 C ATOM 139 CD PRO A 11 -2.428 6.637 -10.030 1.00 0.00 C ATOM 0 HA PRO A 11 -0.642 6.200 -7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.962 7.669 -6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.636 8.338 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.167 7.032 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.369 8.474 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.097 6.070 -10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.805 7.253 -10.678 1.00 0.00 H new ATOM 147 N MET A 12 -2.230 5.291 -5.585 1.00 0.00 N ATOM 148 CA MET A 12 -2.912 4.414 -4.640 1.00 0.00 C ATOM 149 C MET A 12 -3.474 5.211 -3.466 1.00 0.00 C ATOM 150 O MET A 12 -3.008 6.310 -3.172 1.00 0.00 O ATOM 151 CB MET A 12 -1.954 3.337 -4.128 1.00 0.00 C ATOM 152 CG MET A 12 -0.874 2.959 -5.129 1.00 0.00 C ATOM 153 SD MET A 12 -0.305 1.260 -4.929 1.00 0.00 S ATOM 154 CE MET A 12 0.447 1.343 -3.305 1.00 0.00 C ATOM 0 H MET A 12 -1.614 5.979 -5.153 1.00 0.00 H new ATOM 0 HA MET A 12 -3.741 3.935 -5.161 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.481 3.689 -3.211 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.526 2.446 -3.870 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.259 3.093 -6.140 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.028 3.637 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.483 1.011 -3.367 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.416 2.370 -2.942 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.100 0.698 -2.617 1.00 0.00 H new ATOM 164 N ASN A 13 -4.477 4.648 -2.801 1.00 0.00 N ATOM 165 CA ASN A 13 -5.102 5.306 -1.660 1.00 0.00 C ATOM 166 C ASN A 13 -4.613 4.702 -0.347 1.00 0.00 C ATOM 167 O ASN A 13 -3.784 3.793 -0.342 1.00 0.00 O ATOM 168 CB ASN A 13 -6.626 5.192 -1.750 1.00 0.00 C ATOM 169 CG ASN A 13 -7.073 3.854 -2.306 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.167 2.854 -1.437 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 -7.332 3.721 -3.503 1.00 0.00 N flip ATOM 0 H ASN A 13 -4.874 3.738 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.821 6.359 -1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.057 5.333 -0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.011 5.992 -2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.246 4.517 -4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.633 2.815 -3.862 1.00 0.00 H new ATOM 178 N ALA A 14 -5.133 5.214 0.763 1.00 0.00 N ATOM 179 CA ALA A 14 -4.751 4.723 2.082 1.00 0.00 C ATOM 180 C ALA A 14 -4.895 3.208 2.167 1.00 0.00 C ATOM 181 O ALA A 14 -4.013 2.518 2.679 1.00 0.00 O ATOM 182 CB ALA A 14 -5.590 5.396 3.159 1.00 0.00 C ATOM 0 H ALA A 14 -5.820 5.968 0.776 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.702 4.972 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.294 5.020 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.433 6.474 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.644 5.176 2.989 1.00 0.00 H new ATOM 188 N PHE A 15 -6.012 2.695 1.662 1.00 0.00 N ATOM 189 CA PHE A 15 -6.272 1.260 1.682 1.00 0.00 C ATOM 190 C PHE A 15 -5.239 0.508 0.848 1.00 0.00 C ATOM 191 O PHE A 15 -4.625 -0.449 1.317 1.00 0.00 O ATOM 192 CB PHE A 15 -7.679 0.968 1.156 1.00 0.00 C ATOM 193 CG PHE A 15 -7.906 -0.479 0.823 1.00 0.00 C ATOM 194 CD1 PHE A 15 -8.238 -1.388 1.814 1.00 0.00 C ATOM 195 CD2 PHE A 15 -7.787 -0.929 -0.482 1.00 0.00 C ATOM 196 CE1 PHE A 15 -8.448 -2.720 1.510 1.00 0.00 C ATOM 197 CE2 PHE A 15 -7.996 -2.260 -0.792 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.325 -3.157 0.206 1.00 0.00 C ATOM 0 H PHE A 15 -6.752 3.252 1.234 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.199 0.917 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.409 1.280 1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.857 1.570 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.334 -1.052 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.528 -0.232 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.708 -3.418 2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.902 -2.598 -1.813 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.486 -4.198 -0.033 1.00 0.00 H new ATOM 208 N MET A 16 -5.054 0.950 -0.392 1.00 0.00 N ATOM 209 CA MET A 16 -4.095 0.319 -1.292 1.00 0.00 C ATOM 210 C MET A 16 -2.709 0.264 -0.657 1.00 0.00 C ATOM 211 O MET A 16 -2.116 -0.807 -0.529 1.00 0.00 O ATOM 212 CB MET A 16 -4.032 1.079 -2.618 1.00 0.00 C ATOM 213 CG MET A 16 -5.295 0.947 -3.455 1.00 0.00 C ATOM 214 SD MET A 16 -5.061 1.497 -5.156 1.00 0.00 S ATOM 215 CE MET A 16 -3.845 0.314 -5.730 1.00 0.00 C ATOM 0 H MET A 16 -5.555 1.741 -0.796 1.00 0.00 H new ATOM 0 HA MET A 16 -4.429 -0.701 -1.482 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.850 2.134 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.183 0.715 -3.196 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.619 -0.094 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.093 1.530 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.914 0.832 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.665 -0.429 -4.953 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.215 -0.182 -6.628 1.00 0.00 H new ATOM 225 N VAL A 17 -2.198 1.426 -0.262 1.00 0.00 N ATOM 226 CA VAL A 17 -0.882 1.510 0.360 1.00 0.00 C ATOM 227 C VAL A 17 -0.763 0.539 1.528 1.00 0.00 C ATOM 228 O VAL A 17 0.045 -0.390 1.497 1.00 0.00 O ATOM 229 CB VAL A 17 -0.587 2.937 0.860 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.795 3.007 1.492 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.713 3.937 -0.279 1.00 0.00 C ATOM 0 H VAL A 17 -2.675 2.322 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.153 1.244 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.322 3.195 1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.985 4.023 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.844 2.320 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.547 2.729 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.501 4.940 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.002 3.684 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.726 3.905 -0.681 1.00 0.00 H new ATOM 241 N TRP A 18 -1.573 0.758 2.557 1.00 0.00 N ATOM 242 CA TRP A 18 -1.559 -0.099 3.737 1.00 0.00 C ATOM 243 C TRP A 18 -1.628 -1.570 3.343 1.00 0.00 C ATOM 244 O TRP A 18 -1.058 -2.429 4.014 1.00 0.00 O ATOM 245 CB TRP A 18 -2.729 0.249 4.660 1.00 0.00 C ATOM 246 CG TRP A 18 -3.134 -0.880 5.558 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.722 -1.093 6.843 1.00 0.00 C ATOM 248 CD2 TRP A 18 -4.028 -1.951 5.238 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.307 -2.233 7.341 1.00 0.00 N ATOM 250 CE2 TRP A 18 -4.113 -2.777 6.376 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.767 -2.293 4.102 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.906 -3.921 6.408 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.553 -3.429 4.135 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.618 -4.232 5.282 1.00 0.00 C ATOM 0 H TRP A 18 -2.248 1.522 2.598 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.623 0.072 4.268 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.457 1.110 5.271 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.585 0.546 4.054 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.038 -0.459 7.387 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.164 -2.612 8.277 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.724 -1.680 3.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.957 -4.541 7.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.127 -3.703 3.262 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.242 -5.113 5.277 1.00 0.00 H new ATOM 265 N ALA A 19 -2.328 -1.853 2.249 1.00 0.00 N ATOM 266 CA ALA A 19 -2.468 -3.220 1.764 1.00 0.00 C ATOM 267 C ALA A 19 -1.158 -3.731 1.175 1.00 0.00 C ATOM 268 O ALA A 19 -0.791 -4.891 1.362 1.00 0.00 O ATOM 269 CB ALA A 19 -3.581 -3.302 0.730 1.00 0.00 C ATOM 0 H ALA A 19 -2.807 -1.153 1.682 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.727 -3.855 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.674 -4.329 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.522 -2.987 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.346 -2.649 -0.110 1.00 0.00 H new ATOM 275 N LYS A 20 -0.455 -2.858 0.462 1.00 0.00 N ATOM 276 CA LYS A 20 0.816 -3.219 -0.155 1.00 0.00 C ATOM 277 C LYS A 20 1.598 -4.181 0.734 1.00 0.00 C ATOM 278 O LYS A 20 2.307 -5.059 0.241 1.00 0.00 O ATOM 279 CB LYS A 20 1.650 -1.965 -0.425 1.00 0.00 C ATOM 280 CG LYS A 20 2.479 -1.518 0.766 1.00 0.00 C ATOM 281 CD LYS A 20 2.739 -0.021 0.734 1.00 0.00 C ATOM 282 CE LYS A 20 3.860 0.330 -0.232 1.00 0.00 C ATOM 283 NZ LYS A 20 5.193 -0.077 0.293 1.00 0.00 N ATOM 0 H LYS A 20 -0.744 -1.894 0.297 1.00 0.00 H new ATOM 0 HA LYS A 20 0.604 -3.717 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.314 -2.155 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.985 -1.153 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.961 -1.779 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.429 -2.053 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.828 0.501 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.998 0.326 1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.682 -0.160 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.856 1.404 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.941 0.394 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.271 0.198 1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.299 -1.108 0.209 1.00 0.00 H new ATOM 297 N ASP A 21 1.463 -4.011 2.044 1.00 0.00 N ATOM 298 CA ASP A 21 2.154 -4.866 3.002 1.00 0.00 C ATOM 299 C ASP A 21 1.308 -6.086 3.352 1.00 0.00 C ATOM 300 O ASP A 21 1.805 -7.211 3.378 1.00 0.00 O ATOM 301 CB ASP A 21 2.489 -4.080 4.271 1.00 0.00 C ATOM 302 CG ASP A 21 3.524 -4.781 5.129 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.422 -6.014 5.294 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.436 -4.095 5.635 1.00 0.00 O ATOM 0 H ASP A 21 0.881 -3.288 2.467 1.00 0.00 H new ATOM 0 HA ASP A 21 3.080 -5.210 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.858 -3.092 3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.580 -3.930 4.853 1.00 0.00 H new ATOM 309 N GLU A 22 0.027 -5.853 3.622 1.00 0.00 N ATOM 310 CA GLU A 22 -0.887 -6.933 3.973 1.00 0.00 C ATOM 311 C GLU A 22 -0.979 -7.956 2.844 1.00 0.00 C ATOM 312 O GLU A 22 -0.687 -9.137 3.037 1.00 0.00 O ATOM 313 CB GLU A 22 -2.277 -6.374 4.283 1.00 0.00 C ATOM 314 CG GLU A 22 -2.360 -5.656 5.619 1.00 0.00 C ATOM 315 CD GLU A 22 -1.507 -6.311 6.688 1.00 0.00 C ATOM 316 OE1 GLU A 22 -1.561 -7.552 6.813 1.00 0.00 O ATOM 317 OE2 GLU A 22 -0.783 -5.582 7.398 1.00 0.00 O ATOM 0 H GLU A 22 -0.400 -4.927 3.604 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.497 -7.431 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.567 -5.684 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.998 -7.191 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.044 -4.621 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.398 -5.633 5.951 1.00 0.00 H new ATOM 324 N ARG A 23 -1.387 -7.495 1.667 1.00 0.00 N ATOM 325 CA ARG A 23 -1.520 -8.369 0.508 1.00 0.00 C ATOM 326 C ARG A 23 -0.384 -9.387 0.462 1.00 0.00 C ATOM 327 O ARG A 23 -0.610 -10.578 0.243 1.00 0.00 O ATOM 328 CB ARG A 23 -1.532 -7.545 -0.781 1.00 0.00 C ATOM 329 CG ARG A 23 -2.172 -8.263 -1.957 1.00 0.00 C ATOM 330 CD ARG A 23 -2.030 -7.464 -3.243 1.00 0.00 C ATOM 331 NE ARG A 23 -2.585 -8.173 -4.393 1.00 0.00 N ATOM 332 CZ ARG A 23 -1.966 -9.175 -5.007 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.778 -9.584 -4.584 1.00 0.00 N ATOM 334 NH2 ARG A 23 -2.535 -9.770 -6.047 1.00 0.00 N ATOM 0 H ARG A 23 -1.631 -6.521 1.490 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.464 -8.906 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.067 -6.612 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.508 -7.280 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.709 -9.242 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.228 -8.434 -1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.535 -6.504 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.976 -7.251 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.498 -7.883 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.337 -9.129 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.305 -10.354 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.449 -9.458 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.059 -10.539 -6.518 1.00 0.00 H new ATOM 348 N LYS A 24 0.839 -8.911 0.670 1.00 0.00 N ATOM 349 CA LYS A 24 2.011 -9.778 0.654 1.00 0.00 C ATOM 350 C LYS A 24 1.774 -11.029 1.494 1.00 0.00 C ATOM 351 O LYS A 24 2.061 -12.144 1.057 1.00 0.00 O ATOM 352 CB LYS A 24 3.236 -9.024 1.177 1.00 0.00 C ATOM 353 CG LYS A 24 3.552 -7.760 0.396 1.00 0.00 C ATOM 354 CD LYS A 24 4.496 -8.041 -0.761 1.00 0.00 C ATOM 355 CE LYS A 24 3.777 -8.725 -1.913 1.00 0.00 C ATOM 356 NZ LYS A 24 4.518 -8.575 -3.196 1.00 0.00 N ATOM 0 H LYS A 24 1.044 -7.929 0.852 1.00 0.00 H new ATOM 0 HA LYS A 24 2.192 -10.083 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.073 -8.763 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.101 -9.687 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.628 -7.326 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.000 -7.022 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.935 -7.106 -1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.317 -8.671 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.653 -9.784 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.778 -8.303 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.996 -9.055 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.614 -7.565 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.463 -9.000 -3.103 1.00 0.00 H new ATOM 370 N ARG A 25 1.249 -10.837 2.699 1.00 0.00 N ATOM 371 CA ARG A 25 0.973 -11.950 3.599 1.00 0.00 C ATOM 372 C ARG A 25 -0.167 -12.812 3.065 1.00 0.00 C ATOM 373 O ARG A 25 -0.225 -14.014 3.325 1.00 0.00 O ATOM 374 CB ARG A 25 0.623 -11.431 4.995 1.00 0.00 C ATOM 375 CG ARG A 25 -0.866 -11.219 5.210 1.00 0.00 C ATOM 376 CD ARG A 25 -1.132 -10.239 6.342 1.00 0.00 C ATOM 377 NE ARG A 25 -1.105 -10.892 7.648 1.00 0.00 N ATOM 378 CZ ARG A 25 0.002 -11.060 8.363 1.00 0.00 C ATOM 379 NH1 ARG A 25 1.166 -10.624 7.901 1.00 0.00 N ATOM 380 NH2 ARG A 25 -0.054 -11.663 9.543 1.00 0.00 N ATOM 0 H ARG A 25 1.006 -9.921 3.075 1.00 0.00 H new ATOM 0 HA ARG A 25 1.871 -12.564 3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.992 -12.137 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.144 -10.488 5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.318 -10.846 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.342 -12.174 5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.385 -9.446 6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.103 -9.767 6.192 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.984 -11.238 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.213 -10.158 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.014 -10.754 8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.948 -11.998 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.797 -11.791 10.091 1.00 0.00 H new ATOM 394 N LEU A 26 -1.071 -12.190 2.316 1.00 0.00 N ATOM 395 CA LEU A 26 -2.210 -12.899 1.745 1.00 0.00 C ATOM 396 C LEU A 26 -1.761 -13.851 0.641 1.00 0.00 C ATOM 397 O LEU A 26 -2.192 -15.003 0.587 1.00 0.00 O ATOM 398 CB LEU A 26 -3.231 -11.904 1.191 1.00 0.00 C ATOM 399 CG LEU A 26 -3.751 -10.857 2.177 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.901 -10.072 1.566 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.187 -11.519 3.477 1.00 0.00 C ATOM 0 H LEU A 26 -1.037 -11.196 2.090 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.676 -13.484 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.781 -11.385 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.082 -12.465 0.805 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.941 -10.162 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.258 -9.332 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.558 -9.567 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.713 -10.754 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.554 -10.759 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.981 -12.237 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.338 -12.036 3.925 1.00 0.00 H new ATOM 413 N ALA A 27 -0.890 -13.363 -0.236 1.00 0.00 N ATOM 414 CA ALA A 27 -0.379 -14.171 -1.336 1.00 0.00 C ATOM 415 C ALA A 27 0.223 -15.476 -0.825 1.00 0.00 C ATOM 416 O ALA A 27 -0.093 -16.554 -1.327 1.00 0.00 O ATOM 417 CB ALA A 27 0.653 -13.387 -2.132 1.00 0.00 C ATOM 0 H ALA A 27 -0.523 -12.412 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.214 -14.419 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.026 -14.003 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.192 -12.486 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.481 -13.110 -1.480 1.00 0.00 H new ATOM 423 N GLN A 28 1.092 -15.369 0.175 1.00 0.00 N ATOM 424 CA GLN A 28 1.740 -16.541 0.752 1.00 0.00 C ATOM 425 C GLN A 28 0.729 -17.412 1.491 1.00 0.00 C ATOM 426 O GLN A 28 0.811 -18.639 1.455 1.00 0.00 O ATOM 427 CB GLN A 28 2.857 -16.115 1.705 1.00 0.00 C ATOM 428 CG GLN A 28 2.390 -15.185 2.814 1.00 0.00 C ATOM 429 CD GLN A 28 3.315 -15.198 4.015 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.438 -15.699 3.943 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.848 -14.645 5.128 1.00 0.00 N ATOM 0 H GLN A 28 1.363 -14.483 0.602 1.00 0.00 H new ATOM 0 HA GLN A 28 2.170 -17.125 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.301 -17.005 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.642 -15.620 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.320 -14.169 2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.388 -15.476 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.911 -14.241 5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.426 -14.624 5.968 1.00 0.00 H new ATOM 440 N GLN A 29 -0.222 -16.769 2.161 1.00 0.00 N ATOM 441 CA GLN A 29 -1.247 -17.486 2.909 1.00 0.00 C ATOM 442 C GLN A 29 -2.193 -18.223 1.967 1.00 0.00 C ATOM 443 O GLN A 29 -2.705 -19.292 2.297 1.00 0.00 O ATOM 444 CB GLN A 29 -2.037 -16.517 3.790 1.00 0.00 C ATOM 445 CG GLN A 29 -1.450 -16.342 5.181 1.00 0.00 C ATOM 446 CD GLN A 29 -2.376 -15.587 6.115 1.00 0.00 C ATOM 447 OE1 GLN A 29 -3.595 -15.756 6.069 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.801 -14.749 6.969 1.00 0.00 N ATOM 0 H GLN A 29 -0.304 -15.753 2.201 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.751 -18.220 3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.080 -15.545 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.063 -16.875 3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.233 -17.322 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.502 -15.809 5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.787 -14.640 6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.373 -14.214 7.622 1.00 0.00 H new ATOM 457 N ASN A 30 -2.422 -17.643 0.793 1.00 0.00 N ATOM 458 CA ASN A 30 -3.308 -18.244 -0.197 1.00 0.00 C ATOM 459 C ASN A 30 -2.666 -18.233 -1.580 1.00 0.00 C ATOM 460 O ASN A 30 -2.914 -17.349 -2.400 1.00 0.00 O ATOM 461 CB ASN A 30 -4.644 -17.499 -0.236 1.00 0.00 C ATOM 462 CG ASN A 30 -5.373 -17.548 1.092 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.604 -16.382 1.684 1.00 0.00 O flip ATOM 464 ND2 ASN A 30 -5.725 -18.622 1.581 1.00 0.00 N flip ATOM 0 H ASN A 30 -2.006 -16.758 0.504 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.486 -19.280 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.469 -16.459 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.276 -17.933 -1.011 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.527 -19.495 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.215 -18.639 2.476 1.00 0.00 H new ATOM 471 N PRO A 31 -1.820 -19.239 -1.848 1.00 0.00 N ATOM 472 CA PRO A 31 -1.125 -19.368 -3.132 1.00 0.00 C ATOM 473 C PRO A 31 -2.073 -19.732 -4.270 1.00 0.00 C ATOM 474 O PRO A 31 -1.668 -19.797 -5.431 1.00 0.00 O ATOM 475 CB PRO A 31 -0.128 -20.503 -2.883 1.00 0.00 C ATOM 476 CG PRO A 31 -0.735 -21.307 -1.786 1.00 0.00 C ATOM 477 CD PRO A 31 -1.478 -20.328 -0.918 1.00 0.00 C ATOM 0 HA PRO A 31 -0.658 -18.432 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.019 -21.105 -3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.849 -20.115 -2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.409 -22.065 -2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.032 -21.831 -1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.369 -20.776 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.860 -19.973 -0.093 1.00 0.00 H new ATOM 485 N ASP A 32 -3.335 -19.968 -3.930 1.00 0.00 N ATOM 486 CA ASP A 32 -4.341 -20.324 -4.924 1.00 0.00 C ATOM 487 C ASP A 32 -5.320 -19.174 -5.142 1.00 0.00 C ATOM 488 O ASP A 32 -6.025 -19.127 -6.151 1.00 0.00 O ATOM 489 CB ASP A 32 -5.098 -21.579 -4.488 1.00 0.00 C ATOM 490 CG ASP A 32 -5.604 -22.389 -5.666 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.774 -22.792 -6.507 1.00 0.00 O ATOM 492 OD2 ASP A 32 -6.829 -22.618 -5.746 1.00 0.00 O ATOM 0 H ASP A 32 -3.686 -19.919 -2.974 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.830 -20.526 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.443 -22.201 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.941 -21.291 -3.860 1.00 0.00 H new ATOM 497 N LEU A 33 -5.359 -18.249 -4.190 1.00 0.00 N ATOM 498 CA LEU A 33 -6.252 -17.099 -4.277 1.00 0.00 C ATOM 499 C LEU A 33 -5.608 -15.967 -5.071 1.00 0.00 C ATOM 500 O LEU A 33 -4.385 -15.906 -5.204 1.00 0.00 O ATOM 501 CB LEU A 33 -6.621 -16.607 -2.876 1.00 0.00 C ATOM 502 CG LEU A 33 -7.567 -17.506 -2.077 1.00 0.00 C ATOM 503 CD1 LEU A 33 -8.021 -16.806 -0.806 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.765 -17.906 -2.925 1.00 0.00 C ATOM 0 H LEU A 33 -4.783 -18.273 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.157 -17.413 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.702 -16.480 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.078 -15.622 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.028 -18.411 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.693 -17.460 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.153 -16.571 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.543 -15.885 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.427 -18.545 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.305 -17.012 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.422 -18.448 -3.806 1.00 0.00 H new ATOM 516 N HIS A 34 -6.438 -15.071 -5.596 1.00 0.00 N ATOM 517 CA HIS A 34 -5.949 -13.940 -6.375 1.00 0.00 C ATOM 518 C HIS A 34 -6.401 -12.619 -5.758 1.00 0.00 C ATOM 519 O HIS A 34 -7.188 -12.602 -4.813 1.00 0.00 O ATOM 520 CB HIS A 34 -6.442 -14.036 -7.819 1.00 0.00 C ATOM 521 CG HIS A 34 -7.935 -14.036 -7.943 1.00 0.00 C ATOM 522 ND1 HIS A 34 -8.838 -15.029 -7.767 1.00 0.00 N flip ATOM 523 CD2 HIS A 34 -8.661 -12.916 -8.288 1.00 0.00 C flip ATOM 524 CE1 HIS A 34 -10.081 -14.496 -8.006 1.00 0.00 C flip ATOM 525 NE2 HIS A 34 -9.947 -13.220 -8.318 1.00 0.00 N flip ATOM 0 H HIS A 34 -7.452 -15.107 -5.496 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.859 -13.971 -6.368 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.038 -13.199 -8.389 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.048 -14.947 -8.269 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.633 -15.993 -7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.244 -11.943 -8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.016 -15.033 -7.948 1.00 0.00 H new ATOM 534 N ASN A 35 -5.895 -11.515 -6.298 1.00 0.00 N ATOM 535 CA ASN A 35 -6.245 -10.191 -5.799 1.00 0.00 C ATOM 536 C ASN A 35 -7.680 -10.166 -5.282 1.00 0.00 C ATOM 537 O ASN A 35 -7.915 -10.102 -4.075 1.00 0.00 O ATOM 538 CB ASN A 35 -6.072 -9.145 -6.903 1.00 0.00 C ATOM 539 CG ASN A 35 -6.165 -9.748 -8.291 1.00 0.00 C ATOM 540 OD1 ASN A 35 -7.259 -9.977 -8.808 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.015 -10.009 -8.901 1.00 0.00 N ATOM 0 H ASN A 35 -5.241 -11.511 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.575 -9.953 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.835 -8.375 -6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.105 -8.655 -6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.015 -10.416 -9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.132 -9.803 -8.434 1.00 0.00 H new ATOM 548 N ALA A 36 -8.637 -10.218 -6.203 1.00 0.00 N ATOM 549 CA ALA A 36 -10.048 -10.205 -5.840 1.00 0.00 C ATOM 550 C ALA A 36 -10.293 -10.992 -4.557 1.00 0.00 C ATOM 551 O ALA A 36 -11.081 -10.580 -3.706 1.00 0.00 O ATOM 552 CB ALA A 36 -10.891 -10.768 -6.975 1.00 0.00 C ATOM 0 H ALA A 36 -8.460 -10.270 -7.206 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.341 -9.170 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.943 -10.752 -6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.749 -10.162 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.586 -11.794 -7.180 1.00 0.00 H new ATOM 558 N GLU A 37 -9.612 -12.127 -4.425 1.00 0.00 N ATOM 559 CA GLU A 37 -9.758 -12.971 -3.245 1.00 0.00 C ATOM 560 C GLU A 37 -9.013 -12.376 -2.054 1.00 0.00 C ATOM 561 O GLU A 37 -9.493 -12.423 -0.921 1.00 0.00 O ATOM 562 CB GLU A 37 -9.237 -14.381 -3.533 1.00 0.00 C ATOM 563 CG GLU A 37 -10.119 -15.173 -4.484 1.00 0.00 C ATOM 564 CD GLU A 37 -11.183 -15.976 -3.761 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.593 -15.558 -2.658 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.606 -17.021 -4.298 1.00 0.00 O ATOM 0 H GLU A 37 -8.955 -12.482 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.818 -13.025 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.234 -14.310 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.149 -14.926 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.599 -14.489 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.498 -15.848 -5.073 1.00 0.00 H new ATOM 573 N LEU A 38 -7.838 -11.815 -2.319 1.00 0.00 N ATOM 574 CA LEU A 38 -7.025 -11.210 -1.269 1.00 0.00 C ATOM 575 C LEU A 38 -7.737 -10.010 -0.653 1.00 0.00 C ATOM 576 O LEU A 38 -7.811 -9.880 0.568 1.00 0.00 O ATOM 577 CB LEU A 38 -5.669 -10.780 -1.832 1.00 0.00 C ATOM 578 CG LEU A 38 -4.946 -11.809 -2.701 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.525 -11.355 -2.996 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.942 -13.172 -2.023 1.00 0.00 C ATOM 0 H LEU A 38 -7.427 -11.766 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.868 -11.955 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.813 -9.874 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.019 -10.518 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.481 -11.897 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.026 -12.100 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.550 -10.402 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.979 -11.237 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.423 -13.892 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.432 -13.099 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.969 -13.502 -1.864 1.00 0.00 H new ATOM 592 N SER A 39 -8.260 -9.136 -1.508 1.00 0.00 N ATOM 593 CA SER A 39 -8.965 -7.945 -1.047 1.00 0.00 C ATOM 594 C SER A 39 -9.917 -8.285 0.095 1.00 0.00 C ATOM 595 O SER A 39 -9.851 -7.692 1.172 1.00 0.00 O ATOM 596 CB SER A 39 -9.742 -7.309 -2.201 1.00 0.00 C ATOM 597 OG SER A 39 -9.794 -5.899 -2.065 1.00 0.00 O ATOM 0 H SER A 39 -8.209 -9.230 -2.522 1.00 0.00 H new ATOM 0 HA SER A 39 -8.225 -7.234 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.270 -7.569 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.754 -7.712 -2.228 1.00 0.00 H new ATOM 0 HG SER A 39 -10.294 -5.516 -2.816 1.00 0.00 H new ATOM 603 N LYS A 40 -10.803 -9.245 -0.147 1.00 0.00 N ATOM 604 CA LYS A 40 -11.770 -9.668 0.859 1.00 0.00 C ATOM 605 C LYS A 40 -11.148 -9.648 2.252 1.00 0.00 C ATOM 606 O LYS A 40 -11.835 -9.409 3.245 1.00 0.00 O ATOM 607 CB LYS A 40 -12.289 -11.071 0.541 1.00 0.00 C ATOM 608 CG LYS A 40 -13.201 -11.122 -0.673 1.00 0.00 C ATOM 609 CD LYS A 40 -14.660 -10.964 -0.280 1.00 0.00 C ATOM 610 CE LYS A 40 -15.589 -11.381 -1.410 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.904 -11.859 -0.899 1.00 0.00 N ATOM 0 H LYS A 40 -10.871 -9.746 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.605 -8.967 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.440 -11.734 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.829 -11.454 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.924 -10.332 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.064 -12.070 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.867 -11.567 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.855 -9.926 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.745 -10.537 -2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.118 -12.171 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.508 -12.134 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.757 -12.680 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.366 -11.097 -0.362 1.00 0.00 H new ATOM 625 N MET A 41 -9.844 -9.899 2.317 1.00 0.00 N ATOM 626 CA MET A 41 -9.131 -9.907 3.589 1.00 0.00 C ATOM 627 C MET A 41 -8.500 -8.546 3.867 1.00 0.00 C ATOM 628 O MET A 41 -8.420 -8.111 5.016 1.00 0.00 O ATOM 629 CB MET A 41 -8.051 -10.991 3.585 1.00 0.00 C ATOM 630 CG MET A 41 -8.544 -12.337 3.081 1.00 0.00 C ATOM 631 SD MET A 41 -7.202 -13.509 2.804 1.00 0.00 S ATOM 632 CE MET A 41 -7.396 -13.839 1.054 1.00 0.00 C ATOM 0 H MET A 41 -9.261 -10.099 1.505 1.00 0.00 H new ATOM 0 HA MET A 41 -9.850 -10.123 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.219 -10.661 2.962 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.664 -11.111 4.597 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.244 -12.757 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.093 -12.193 2.151 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.414 -13.952 0.594 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.968 -14.757 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.924 -13.009 0.584 1.00 0.00 H new ATOM 642 N LEU A 42 -8.054 -7.878 2.809 1.00 0.00 N ATOM 643 CA LEU A 42 -7.430 -6.566 2.939 1.00 0.00 C ATOM 644 C LEU A 42 -8.436 -5.531 3.432 1.00 0.00 C ATOM 645 O LEU A 42 -8.068 -4.551 4.077 1.00 0.00 O ATOM 646 CB LEU A 42 -6.841 -6.124 1.598 1.00 0.00 C ATOM 647 CG LEU A 42 -5.688 -6.970 1.060 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.299 -6.516 -0.339 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.491 -6.899 1.997 1.00 0.00 C ATOM 0 H LEU A 42 -8.113 -8.223 1.851 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.628 -6.644 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.640 -6.121 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.495 -5.095 1.697 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.020 -8.007 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.476 -7.130 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.155 -6.620 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.987 -5.472 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.680 -7.508 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.159 -5.865 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.776 -7.274 2.980 1.00 0.00 H new ATOM 661 N GLY A 43 -9.710 -5.758 3.124 1.00 0.00 N ATOM 662 CA GLY A 43 -10.750 -4.837 3.545 1.00 0.00 C ATOM 663 C GLY A 43 -11.120 -5.009 5.005 1.00 0.00 C ATOM 664 O GLY A 43 -11.075 -4.055 5.781 1.00 0.00 O ATOM 0 H GLY A 43 -10.040 -6.563 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.415 -3.814 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.636 -4.988 2.929 1.00 0.00 H new ATOM 668 N LYS A 44 -11.489 -6.229 5.380 1.00 0.00 N ATOM 669 CA LYS A 44 -11.869 -6.525 6.756 1.00 0.00 C ATOM 670 C LYS A 44 -10.813 -6.020 7.733 1.00 0.00 C ATOM 671 O LYS A 44 -11.135 -5.556 8.827 1.00 0.00 O ATOM 672 CB LYS A 44 -12.071 -8.031 6.939 1.00 0.00 C ATOM 673 CG LYS A 44 -10.786 -8.834 6.830 1.00 0.00 C ATOM 674 CD LYS A 44 -10.990 -10.275 7.265 1.00 0.00 C ATOM 675 CE LYS A 44 -9.724 -11.097 7.082 1.00 0.00 C ATOM 676 NZ LYS A 44 -8.813 -10.982 8.254 1.00 0.00 N ATOM 0 H LYS A 44 -11.533 -7.030 4.749 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.807 -6.011 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.522 -8.213 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.778 -8.388 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.428 -8.811 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.014 -8.373 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.294 -10.301 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.800 -10.719 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.989 -12.143 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.203 -10.766 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.962 -11.557 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.539 -9.987 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.301 -11.322 9.107 1.00 0.00 H new ATOM 690 N SER A 45 -9.549 -6.112 7.331 1.00 0.00 N ATOM 691 CA SER A 45 -8.444 -5.666 8.172 1.00 0.00 C ATOM 692 C SER A 45 -8.301 -4.148 8.121 1.00 0.00 C ATOM 693 O SER A 45 -7.869 -3.522 9.089 1.00 0.00 O ATOM 694 CB SER A 45 -7.138 -6.328 7.728 1.00 0.00 C ATOM 695 OG SER A 45 -7.064 -7.667 8.186 1.00 0.00 O ATOM 0 H SER A 45 -9.265 -6.491 6.428 1.00 0.00 H new ATOM 0 HA SER A 45 -8.660 -5.959 9.199 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.068 -6.308 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.290 -5.761 8.113 1.00 0.00 H new ATOM 0 HG SER A 45 -6.221 -8.069 7.888 1.00 0.00 H new ATOM 701 N TRP A 46 -8.668 -3.563 6.987 1.00 0.00 N ATOM 702 CA TRP A 46 -8.580 -2.118 6.809 1.00 0.00 C ATOM 703 C TRP A 46 -9.597 -1.399 7.689 1.00 0.00 C ATOM 704 O TRP A 46 -9.232 -0.721 8.650 1.00 0.00 O ATOM 705 CB TRP A 46 -8.806 -1.749 5.342 1.00 0.00 C ATOM 706 CG TRP A 46 -8.705 -0.278 5.077 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.691 0.539 4.602 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.553 0.550 5.269 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.222 1.826 4.488 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.913 1.859 4.892 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.254 0.315 5.726 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.019 2.925 4.957 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.368 1.373 5.789 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.753 2.665 5.407 1.00 0.00 C ATOM 0 H TRP A 46 -9.029 -4.067 6.177 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.580 -1.800 7.106 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.075 -2.273 4.726 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.791 -2.099 5.034 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.692 0.221 4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.761 2.626 4.157 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.948 -0.677 6.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.314 3.921 4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.361 1.201 6.139 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.037 3.471 5.469 1.00 0.00 H new ATOM 725 N LYS A 47 -10.874 -1.551 7.355 1.00 0.00 N ATOM 726 CA LYS A 47 -11.944 -0.917 8.116 1.00 0.00 C ATOM 727 C LYS A 47 -11.734 -1.108 9.615 1.00 0.00 C ATOM 728 O LYS A 47 -12.144 -0.273 10.420 1.00 0.00 O ATOM 729 CB LYS A 47 -13.301 -1.493 7.704 1.00 0.00 C ATOM 730 CG LYS A 47 -13.963 -0.735 6.566 1.00 0.00 C ATOM 731 CD LYS A 47 -13.591 -1.322 5.214 1.00 0.00 C ATOM 732 CE LYS A 47 -14.301 -2.644 4.967 1.00 0.00 C ATOM 733 NZ LYS A 47 -14.047 -3.161 3.594 1.00 0.00 N ATOM 0 H LYS A 47 -11.193 -2.108 6.562 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.927 0.151 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.170 -2.534 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.966 -1.488 8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.046 -0.763 6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.665 0.313 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.850 -0.616 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.512 -1.472 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.966 -3.379 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.373 -2.513 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.548 -4.063 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.389 -2.472 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.026 -3.310 3.462 1.00 0.00 H new ATOM 747 N ALA A 48 -11.090 -2.212 9.981 1.00 0.00 N ATOM 748 CA ALA A 48 -10.822 -2.510 11.382 1.00 0.00 C ATOM 749 C ALA A 48 -9.801 -1.538 11.965 1.00 0.00 C ATOM 750 O ALA A 48 -9.894 -1.149 13.130 1.00 0.00 O ATOM 751 CB ALA A 48 -10.334 -3.943 11.533 1.00 0.00 C ATOM 0 H ALA A 48 -10.745 -2.914 9.327 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.753 -2.394 11.936 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.138 -4.152 12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.097 -4.628 11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.417 -4.077 10.959 1.00 0.00 H new ATOM 757 N LEU A 49 -8.828 -1.149 11.149 1.00 0.00 N ATOM 758 CA LEU A 49 -7.789 -0.222 11.583 1.00 0.00 C ATOM 759 C LEU A 49 -8.399 1.084 12.083 1.00 0.00 C ATOM 760 O LEU A 49 -9.523 1.435 11.722 1.00 0.00 O ATOM 761 CB LEU A 49 -6.818 0.061 10.436 1.00 0.00 C ATOM 762 CG LEU A 49 -5.898 -1.093 10.035 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.158 -0.763 8.748 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.914 -1.404 11.154 1.00 0.00 C ATOM 0 H LEU A 49 -8.737 -1.461 10.182 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.244 -0.685 12.405 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.397 0.358 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.198 0.914 10.713 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.511 -1.978 9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.508 -1.596 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.878 -0.591 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.556 0.134 8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.267 -2.228 10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.307 -0.523 11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.462 -1.685 12.053 1.00 0.00 H new ATOM 776 N THR A 50 -7.649 1.801 12.914 1.00 0.00 N ATOM 777 CA THR A 50 -8.114 3.069 13.462 1.00 0.00 C ATOM 778 C THR A 50 -7.515 4.249 12.704 1.00 0.00 C ATOM 779 O THR A 50 -6.696 4.069 11.802 1.00 0.00 O ATOM 780 CB THR A 50 -7.760 3.199 14.955 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.362 2.958 15.150 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.570 2.220 15.791 1.00 0.00 C ATOM 0 H THR A 50 -6.717 1.525 13.222 1.00 0.00 H new ATOM 0 HA THR A 50 -9.198 3.083 13.351 1.00 0.00 H new ATOM 0 HB THR A 50 -8.002 4.212 15.276 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.145 3.044 16.102 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.302 2.331 16.842 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.633 2.425 15.664 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.356 1.201 15.467 1.00 0.00 H new ATOM 790 N LEU A 51 -7.927 5.455 13.076 1.00 0.00 N ATOM 791 CA LEU A 51 -7.430 6.666 12.432 1.00 0.00 C ATOM 792 C LEU A 51 -5.909 6.740 12.511 1.00 0.00 C ATOM 793 O LEU A 51 -5.228 6.836 11.490 1.00 0.00 O ATOM 794 CB LEU A 51 -8.047 7.905 13.084 1.00 0.00 C ATOM 795 CG LEU A 51 -7.611 9.253 12.511 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.307 9.708 13.148 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.465 9.167 10.998 1.00 0.00 C ATOM 0 H LEU A 51 -8.604 5.621 13.820 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.720 6.634 11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.131 7.832 13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.806 7.890 14.147 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.381 9.990 12.741 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.013 10.669 12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.444 9.810 14.225 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.529 8.971 12.949 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.154 10.136 10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.715 8.417 10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.421 8.887 10.556 1.00 0.00 H new ATOM 809 N ALA A 52 -5.382 6.691 13.730 1.00 0.00 N ATOM 810 CA ALA A 52 -3.941 6.748 13.942 1.00 0.00 C ATOM 811 C ALA A 52 -3.223 5.684 13.119 1.00 0.00 C ATOM 812 O ALA A 52 -2.056 5.846 12.762 1.00 0.00 O ATOM 813 CB ALA A 52 -3.618 6.583 15.420 1.00 0.00 C ATOM 0 H ALA A 52 -5.931 6.612 14.586 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.588 7.725 13.612 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.538 6.628 15.564 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.093 7.383 15.988 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.991 5.620 15.769 1.00 0.00 H new ATOM 819 N GLU A 53 -3.927 4.596 12.823 1.00 0.00 N ATOM 820 CA GLU A 53 -3.354 3.505 12.043 1.00 0.00 C ATOM 821 C GLU A 53 -3.290 3.870 10.563 1.00 0.00 C ATOM 822 O GLU A 53 -2.361 3.479 9.855 1.00 0.00 O ATOM 823 CB GLU A 53 -4.176 2.229 12.230 1.00 0.00 C ATOM 824 CG GLU A 53 -3.903 1.515 13.543 1.00 0.00 C ATOM 825 CD GLU A 53 -2.555 0.821 13.561 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.667 1.229 12.783 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.388 -0.130 14.352 1.00 0.00 O ATOM 0 H GLU A 53 -4.894 4.447 13.111 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.339 3.330 12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.236 2.478 12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.966 1.548 11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.947 2.235 14.360 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.688 0.780 13.723 1.00 0.00 H new ATOM 834 N LYS A 54 -4.284 4.621 10.101 1.00 0.00 N ATOM 835 CA LYS A 54 -4.342 5.040 8.706 1.00 0.00 C ATOM 836 C LYS A 54 -3.564 6.335 8.493 1.00 0.00 C ATOM 837 O LYS A 54 -3.362 6.769 7.360 1.00 0.00 O ATOM 838 CB LYS A 54 -5.797 5.230 8.269 1.00 0.00 C ATOM 839 CG LYS A 54 -6.687 4.040 8.585 1.00 0.00 C ATOM 840 CD LYS A 54 -8.156 4.378 8.398 1.00 0.00 C ATOM 841 CE LYS A 54 -8.999 3.124 8.229 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.401 3.445 7.840 1.00 0.00 N ATOM 0 H LYS A 54 -5.061 4.952 10.673 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.885 4.258 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.202 6.116 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.824 5.418 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.420 3.203 7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.515 3.718 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.513 4.944 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.275 5.018 7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.549 2.484 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.001 2.560 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.943 2.563 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.839 4.035 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.401 3.961 6.937 1.00 0.00 H new ATOM 856 N ARG A 55 -3.128 6.945 9.591 1.00 0.00 N ATOM 857 CA ARG A 55 -2.372 8.189 9.524 1.00 0.00 C ATOM 858 C ARG A 55 -1.121 8.019 8.666 1.00 0.00 C ATOM 859 O ARG A 55 -0.851 8.804 7.757 1.00 0.00 O ATOM 860 CB ARG A 55 -1.980 8.649 10.930 1.00 0.00 C ATOM 861 CG ARG A 55 -1.966 10.160 11.094 1.00 0.00 C ATOM 862 CD ARG A 55 -3.364 10.707 11.335 1.00 0.00 C ATOM 863 NE ARG A 55 -3.453 12.134 11.037 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.593 12.814 11.030 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.737 12.200 11.303 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.592 14.111 10.749 1.00 0.00 N ATOM 0 H ARG A 55 -3.286 6.597 10.537 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.007 8.947 9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.676 8.220 11.651 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.992 8.257 11.169 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.319 10.430 11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.543 10.620 10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.078 10.163 10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.646 10.535 12.374 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.591 12.636 10.822 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.742 11.203 11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.612 12.725 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.715 14.586 10.538 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.469 14.632 10.744 1.00 0.00 H new ATOM 880 N PRO A 56 -0.338 6.971 8.962 1.00 0.00 N ATOM 881 CA PRO A 56 0.897 6.674 8.230 1.00 0.00 C ATOM 882 C PRO A 56 0.626 6.196 6.807 1.00 0.00 C ATOM 883 O PRO A 56 1.467 6.347 5.920 1.00 0.00 O ATOM 884 CB PRO A 56 1.539 5.557 9.056 1.00 0.00 C ATOM 885 CG PRO A 56 0.400 4.904 9.760 1.00 0.00 C ATOM 886 CD PRO A 56 -0.598 5.995 10.033 1.00 0.00 C ATOM 0 HA PRO A 56 1.527 7.556 8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.069 4.849 8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.266 5.956 9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.039 4.118 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.731 4.437 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.621 5.622 9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.454 6.434 11.020 1.00 0.00 H new ATOM 894 N PHE A 57 -0.552 5.620 6.595 1.00 0.00 N ATOM 895 CA PHE A 57 -0.933 5.119 5.280 1.00 0.00 C ATOM 896 C PHE A 57 -1.813 6.128 4.547 1.00 0.00 C ATOM 897 O PHE A 57 -2.099 5.973 3.360 1.00 0.00 O ATOM 898 CB PHE A 57 -1.670 3.785 5.412 1.00 0.00 C ATOM 899 CG PHE A 57 -0.959 2.791 6.285 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.272 2.276 5.910 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.521 2.371 7.480 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.930 1.361 6.711 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.867 1.457 8.285 1.00 0.00 C ATOM 904 CZ PHE A 57 0.359 0.951 7.899 1.00 0.00 C ATOM 0 H PHE A 57 -1.260 5.488 7.317 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.023 4.967 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.665 3.967 5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.805 3.354 4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.723 2.593 4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.480 2.762 7.786 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.889 0.968 6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.314 1.139 9.215 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.870 0.235 8.526 1.00 0.00 H new ATOM 914 N VAL A 58 -2.239 7.163 5.265 1.00 0.00 N ATOM 915 CA VAL A 58 -3.085 8.199 4.684 1.00 0.00 C ATOM 916 C VAL A 58 -2.252 9.378 4.193 1.00 0.00 C ATOM 917 O VAL A 58 -2.574 9.997 3.179 1.00 0.00 O ATOM 918 CB VAL A 58 -4.126 8.707 5.699 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.665 10.066 5.277 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.256 7.701 5.853 1.00 0.00 C ATOM 0 H VAL A 58 -2.012 7.306 6.249 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.603 7.747 3.838 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.638 8.821 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.399 10.409 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.845 10.782 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.138 9.982 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.982 8.077 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.745 7.552 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.853 6.752 6.206 1.00 0.00 H new ATOM 930 N GLU A 59 -1.181 9.682 4.919 1.00 0.00 N ATOM 931 CA GLU A 59 -0.302 10.787 4.556 1.00 0.00 C ATOM 932 C GLU A 59 0.612 10.398 3.398 1.00 0.00 C ATOM 933 O GLU A 59 1.281 11.247 2.810 1.00 0.00 O ATOM 934 CB GLU A 59 0.538 11.217 5.761 1.00 0.00 C ATOM 935 CG GLU A 59 -0.287 11.526 6.999 1.00 0.00 C ATOM 936 CD GLU A 59 -0.743 12.972 7.050 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.784 13.618 5.982 1.00 0.00 O ATOM 938 OE2 GLU A 59 -1.059 13.456 8.156 1.00 0.00 O ATOM 0 H GLU A 59 -0.901 9.179 5.761 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.925 11.624 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.250 10.426 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.119 12.099 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.159 10.873 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.302 11.303 7.889 1.00 0.00 H new ATOM 945 N GLU A 60 0.635 9.108 3.077 1.00 0.00 N ATOM 946 CA GLU A 60 1.468 8.606 1.991 1.00 0.00 C ATOM 947 C GLU A 60 0.665 8.492 0.698 1.00 0.00 C ATOM 948 O GLU A 60 0.983 9.136 -0.302 1.00 0.00 O ATOM 949 CB GLU A 60 2.059 7.244 2.359 1.00 0.00 C ATOM 950 CG GLU A 60 2.610 6.478 1.168 1.00 0.00 C ATOM 951 CD GLU A 60 3.740 5.540 1.550 1.00 0.00 C ATOM 952 OE1 GLU A 60 4.444 5.831 2.539 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.919 4.516 0.858 1.00 0.00 O ATOM 0 H GLU A 60 0.086 8.392 3.554 1.00 0.00 H new ATOM 0 HA GLU A 60 2.280 9.315 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.856 7.388 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.290 6.642 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.806 5.904 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.967 7.185 0.419 1.00 0.00 H new ATOM 960 N ALA A 61 -0.377 7.668 0.726 1.00 0.00 N ATOM 961 CA ALA A 61 -1.226 7.470 -0.442 1.00 0.00 C ATOM 962 C ALA A 61 -1.577 8.801 -1.098 1.00 0.00 C ATOM 963 O ALA A 61 -1.557 8.924 -2.322 1.00 0.00 O ATOM 964 CB ALA A 61 -2.492 6.721 -0.053 1.00 0.00 C ATOM 0 H ALA A 61 -0.654 7.127 1.545 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.672 6.873 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.117 6.580 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.226 5.749 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.041 7.297 0.692 1.00 0.00 H new ATOM 970 N GLU A 62 -1.899 9.794 -0.275 1.00 0.00 N ATOM 971 CA GLU A 62 -2.256 11.116 -0.777 1.00 0.00 C ATOM 972 C GLU A 62 -1.190 11.640 -1.735 1.00 0.00 C ATOM 973 O GLU A 62 -1.465 11.896 -2.907 1.00 0.00 O ATOM 974 CB GLU A 62 -2.439 12.095 0.385 1.00 0.00 C ATOM 975 CG GLU A 62 -2.719 13.521 -0.059 1.00 0.00 C ATOM 976 CD GLU A 62 -4.201 13.807 -0.200 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.871 13.987 0.838 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.691 13.851 -1.348 1.00 0.00 O ATOM 0 H GLU A 62 -1.920 9.708 0.741 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.197 11.028 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.261 11.751 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.541 12.085 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.286 14.214 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.225 13.704 -1.013 1.00 0.00 H new ATOM 985 N ARG A 63 0.028 11.798 -1.226 1.00 0.00 N ATOM 986 CA ARG A 63 1.135 12.293 -2.035 1.00 0.00 C ATOM 987 C ARG A 63 1.180 11.586 -3.387 1.00 0.00 C ATOM 988 O ARG A 63 1.432 12.210 -4.418 1.00 0.00 O ATOM 989 CB ARG A 63 2.462 12.094 -1.299 1.00 0.00 C ATOM 990 CG ARG A 63 2.507 12.762 0.065 1.00 0.00 C ATOM 991 CD ARG A 63 3.460 12.043 1.006 1.00 0.00 C ATOM 992 NE ARG A 63 4.850 12.159 0.572 1.00 0.00 N ATOM 993 CZ ARG A 63 5.849 11.472 1.114 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.614 10.625 2.107 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.087 11.632 0.664 1.00 0.00 N ATOM 0 H ARG A 63 0.273 11.590 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 63 0.978 13.358 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.644 11.026 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.271 12.487 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.819 13.800 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.507 12.775 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.358 12.456 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.185 10.990 1.065 1.00 0.00 H new ATOM 0 HE ARG A 63 5.065 12.803 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.664 10.500 2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.383 10.099 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.272 12.283 -0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.853 11.104 1.081 1.00 0.00 H new ATOM 1009 N LEU A 64 0.936 10.280 -3.373 1.00 0.00 N ATOM 1010 CA LEU A 64 0.949 9.487 -4.598 1.00 0.00 C ATOM 1011 C LEU A 64 -0.226 9.855 -5.497 1.00 0.00 C ATOM 1012 O LEU A 64 -0.068 10.017 -6.707 1.00 0.00 O ATOM 1013 CB LEU A 64 0.902 7.995 -4.262 1.00 0.00 C ATOM 1014 CG LEU A 64 1.739 7.550 -3.063 1.00 0.00 C ATOM 1015 CD1 LEU A 64 1.614 6.049 -2.853 1.00 0.00 C ATOM 1016 CD2 LEU A 64 3.196 7.945 -3.253 1.00 0.00 C ATOM 0 H LEU A 64 0.727 9.748 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 64 1.873 9.704 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.136 7.717 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.232 7.435 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 64 1.361 8.053 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.217 5.750 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.570 5.793 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.965 5.527 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.777 7.620 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.587 7.470 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.269 9.028 -3.353 1.00 0.00 H new ATOM 1028 N ARG A 65 -1.405 9.987 -4.898 1.00 0.00 N ATOM 1029 CA ARG A 65 -2.607 10.337 -5.645 1.00 0.00 C ATOM 1030 C ARG A 65 -2.428 11.666 -6.372 1.00 0.00 C ATOM 1031 O ARG A 65 -2.641 11.759 -7.581 1.00 0.00 O ATOM 1032 CB ARG A 65 -3.812 10.416 -4.706 1.00 0.00 C ATOM 1033 CG ARG A 65 -5.061 10.982 -5.363 1.00 0.00 C ATOM 1034 CD ARG A 65 -5.942 11.703 -4.356 1.00 0.00 C ATOM 1035 NE ARG A 65 -7.354 11.644 -4.723 1.00 0.00 N ATOM 1036 CZ ARG A 65 -8.113 10.566 -4.558 1.00 0.00 C ATOM 1037 NH1 ARG A 65 -7.597 9.463 -4.034 1.00 0.00 N ATOM 1038 NH2 ARG A 65 -9.390 10.590 -4.917 1.00 0.00 N ATOM 0 H ARG A 65 -1.553 9.857 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.783 9.558 -6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.032 9.418 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.552 11.034 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.775 11.672 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.626 10.175 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.805 11.258 -3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.630 12.745 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.781 12.477 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.616 9.441 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.181 8.636 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.791 11.437 -5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.971 9.762 -4.790 1.00 0.00 H new ATOM 1052 N VAL A 66 -2.034 12.694 -5.627 1.00 0.00 N ATOM 1053 CA VAL A 66 -1.825 14.019 -6.200 1.00 0.00 C ATOM 1054 C VAL A 66 -0.805 13.973 -7.331 1.00 0.00 C ATOM 1055 O VAL A 66 -0.984 14.612 -8.367 1.00 0.00 O ATOM 1056 CB VAL A 66 -1.349 15.023 -5.133 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -2.470 15.332 -4.153 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -0.126 14.486 -4.406 1.00 0.00 C ATOM 0 H VAL A 66 -1.853 12.635 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.786 14.349 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.069 15.951 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.115 16.043 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.315 15.762 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.784 14.413 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.197 15.208 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.377 13.544 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.679 14.321 -5.122 1.00 0.00 H new ATOM 1068 N GLN A 67 0.266 13.213 -7.124 1.00 0.00 N ATOM 1069 CA GLN A 67 1.316 13.084 -8.128 1.00 0.00 C ATOM 1070 C GLN A 67 0.729 12.715 -9.486 1.00 0.00 C ATOM 1071 O GLN A 67 1.117 13.272 -10.514 1.00 0.00 O ATOM 1072 CB GLN A 67 2.336 12.029 -7.696 1.00 0.00 C ATOM 1073 CG GLN A 67 3.381 12.555 -6.725 1.00 0.00 C ATOM 1074 CD GLN A 67 3.984 11.459 -5.867 1.00 0.00 C ATOM 1075 OE1 GLN A 67 3.895 10.277 -6.198 1.00 0.00 O ATOM 1076 NE2 GLN A 67 4.602 11.848 -4.759 1.00 0.00 N ATOM 0 H GLN A 67 0.429 12.678 -6.271 1.00 0.00 H new ATOM 0 HA GLN A 67 1.817 14.048 -8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.809 11.194 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.838 11.638 -8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.174 13.051 -7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.927 13.307 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.652 12.839 -4.524 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.027 11.156 -4.142 1.00 0.00 H new ATOM 1085 N HIS A 68 -0.209 11.773 -9.484 1.00 0.00 N ATOM 1086 CA HIS A 68 -0.850 11.329 -10.716 1.00 0.00 C ATOM 1087 C HIS A 68 -1.527 12.497 -11.427 1.00 0.00 C ATOM 1088 O HIS A 68 -1.294 12.734 -12.612 1.00 0.00 O ATOM 1089 CB HIS A 68 -1.876 10.235 -10.418 1.00 0.00 C ATOM 1090 CG HIS A 68 -2.578 9.723 -11.638 1.00 0.00 C ATOM 1091 ND1 HIS A 68 -1.977 8.890 -12.557 1.00 0.00 N ATOM 1092 CD2 HIS A 68 -3.838 9.930 -12.086 1.00 0.00 C ATOM 1093 CE1 HIS A 68 -2.837 8.607 -13.519 1.00 0.00 C ATOM 1094 NE2 HIS A 68 -3.974 9.226 -13.257 1.00 0.00 N ATOM 0 H HIS A 68 -0.542 11.303 -8.642 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.079 10.924 -11.371 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.375 9.404 -9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.617 10.624 -9.719 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.595 10.536 -11.611 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.643 7.977 -14.374 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.816 9.187 -13.831 1.00 0.00 H new ATOM 1103 N MET A 69 -2.366 13.223 -10.696 1.00 0.00 N ATOM 1104 CA MET A 69 -3.076 14.367 -11.257 1.00 0.00 C ATOM 1105 C MET A 69 -2.101 15.472 -11.652 1.00 0.00 C ATOM 1106 O MET A 69 -2.470 16.417 -12.348 1.00 0.00 O ATOM 1107 CB MET A 69 -4.095 14.905 -10.251 1.00 0.00 C ATOM 1108 CG MET A 69 -4.977 13.826 -9.644 1.00 0.00 C ATOM 1109 SD MET A 69 -6.578 14.459 -9.106 1.00 0.00 S ATOM 1110 CE MET A 69 -6.257 14.763 -7.371 1.00 0.00 C ATOM 0 H MET A 69 -2.571 13.040 -9.714 1.00 0.00 H new ATOM 0 HA MET A 69 -3.601 14.034 -12.152 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.565 15.422 -9.451 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.726 15.643 -10.745 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.131 13.034 -10.376 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.463 13.378 -8.793 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.156 15.158 -6.898 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.972 13.830 -6.885 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.447 15.486 -7.272 1.00 0.00 H new ATOM 1120 N GLN A 70 -0.857 15.345 -11.202 1.00 0.00 N ATOM 1121 CA GLN A 70 0.170 16.335 -11.508 1.00 0.00 C ATOM 1122 C GLN A 70 0.800 16.062 -12.869 1.00 0.00 C ATOM 1123 O GLN A 70 0.866 16.948 -13.722 1.00 0.00 O ATOM 1124 CB GLN A 70 1.249 16.333 -10.424 1.00 0.00 C ATOM 1125 CG GLN A 70 2.653 16.558 -10.962 1.00 0.00 C ATOM 1126 CD GLN A 70 3.556 17.255 -9.964 1.00 0.00 C ATOM 1127 OE1 GLN A 70 3.439 18.460 -9.739 1.00 0.00 O ATOM 1128 NE2 GLN A 70 4.464 16.498 -9.358 1.00 0.00 N ATOM 0 H GLN A 70 -0.536 14.568 -10.625 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.304 17.316 -11.537 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.020 17.109 -9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.220 15.380 -9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.092 15.598 -11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.598 17.153 -11.873 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.526 15.503 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.099 16.912 -8.676 1.00 0.00 H new ATOM 1137 N ASP A 71 1.262 14.832 -13.066 1.00 0.00 N ATOM 1138 CA ASP A 71 1.886 14.443 -14.325 1.00 0.00 C ATOM 1139 C ASP A 71 1.014 14.841 -15.511 1.00 0.00 C ATOM 1140 O ASP A 71 1.496 14.960 -16.638 1.00 0.00 O ATOM 1141 CB ASP A 71 2.141 12.935 -14.348 1.00 0.00 C ATOM 1142 CG ASP A 71 3.330 12.536 -13.495 1.00 0.00 C ATOM 1143 OD1 ASP A 71 3.546 13.174 -12.444 1.00 0.00 O ATOM 1144 OD2 ASP A 71 4.044 11.586 -13.880 1.00 0.00 O ATOM 0 H ASP A 71 1.216 14.088 -12.370 1.00 0.00 H new ATOM 0 HA ASP A 71 2.838 14.967 -14.406 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.252 12.414 -13.994 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.311 12.614 -15.376 1.00 0.00 H new ATOM 1149 N HIS A 72 -0.274 15.046 -15.250 1.00 0.00 N ATOM 1150 CA HIS A 72 -1.214 15.431 -16.296 1.00 0.00 C ATOM 1151 C HIS A 72 -2.358 16.261 -15.720 1.00 0.00 C ATOM 1152 O HIS A 72 -3.086 15.824 -14.828 1.00 0.00 O ATOM 1153 CB HIS A 72 -1.770 14.189 -16.993 1.00 0.00 C ATOM 1154 CG HIS A 72 -2.081 13.064 -16.055 1.00 0.00 C ATOM 1155 ND1 HIS A 72 -3.367 12.697 -15.719 1.00 0.00 N ATOM 1156 CD2 HIS A 72 -1.263 12.222 -15.380 1.00 0.00 C ATOM 1157 CE1 HIS A 72 -3.327 11.679 -14.878 1.00 0.00 C ATOM 1158 NE2 HIS A 72 -2.062 11.371 -14.657 1.00 0.00 N ATOM 0 H HIS A 72 -0.690 14.952 -14.323 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.679 16.039 -17.025 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.676 14.461 -17.534 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.048 13.845 -17.734 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -4.217 13.142 -16.066 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.183 12.220 -15.406 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.183 11.183 -14.445 1.00 0.00 H new ATOM 1167 N PRO A 73 -2.520 17.487 -16.239 1.00 0.00 N ATOM 1168 CA PRO A 73 -3.573 18.403 -15.791 1.00 0.00 C ATOM 1169 C PRO A 73 -4.964 17.936 -16.207 1.00 0.00 C ATOM 1170 O PRO A 73 -5.957 18.621 -15.967 1.00 0.00 O ATOM 1171 CB PRO A 73 -3.220 19.718 -16.489 1.00 0.00 C ATOM 1172 CG PRO A 73 -2.447 19.310 -17.696 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.689 18.073 -17.304 1.00 0.00 C ATOM 0 HA PRO A 73 -3.612 18.478 -14.704 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.117 20.274 -16.762 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.629 20.365 -15.840 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.112 19.110 -18.536 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.766 20.102 -18.010 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.573 17.389 -18.145 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.687 18.312 -16.947 1.00 0.00 H new ATOM 1181 N ASN A 74 -5.027 16.764 -16.831 1.00 0.00 N ATOM 1182 CA ASN A 74 -6.297 16.205 -17.281 1.00 0.00 C ATOM 1183 C ASN A 74 -7.409 16.507 -16.280 1.00 0.00 C ATOM 1184 O ASN A 74 -8.557 16.735 -16.662 1.00 0.00 O ATOM 1185 CB ASN A 74 -6.171 14.694 -17.479 1.00 0.00 C ATOM 1186 CG ASN A 74 -6.405 13.920 -16.196 1.00 0.00 C ATOM 1187 OD1 ASN A 74 -5.595 14.200 -15.181 1.00 0.00 O flip ATOM 1188 ND2 ASN A 74 -7.303 13.082 -16.118 1.00 0.00 N flip ATOM 0 H ASN A 74 -4.214 16.183 -17.036 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.553 16.669 -18.233 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.888 14.368 -18.232 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.178 14.463 -17.863 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.902 12.899 -16.923 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.449 12.570 -15.248 1.00 0.00 H new ATOM 1195 N TYR A 75 -7.060 16.507 -14.999 1.00 0.00 N ATOM 1196 CA TYR A 75 -8.027 16.779 -13.943 1.00 0.00 C ATOM 1197 C TYR A 75 -8.529 18.218 -14.021 1.00 0.00 C ATOM 1198 O TYR A 75 -7.900 19.075 -14.641 1.00 0.00 O ATOM 1199 CB TYR A 75 -7.404 16.518 -12.571 1.00 0.00 C ATOM 1200 CG TYR A 75 -6.413 17.578 -12.145 1.00 0.00 C ATOM 1201 CD1 TYR A 75 -5.136 17.624 -12.690 1.00 0.00 C ATOM 1202 CD2 TYR A 75 -6.755 18.535 -11.197 1.00 0.00 C ATOM 1203 CE1 TYR A 75 -4.228 18.590 -12.303 1.00 0.00 C ATOM 1204 CE2 TYR A 75 -5.853 19.506 -10.805 1.00 0.00 C ATOM 1205 CZ TYR A 75 -4.591 19.529 -11.360 1.00 0.00 C ATOM 1206 OH TYR A 75 -3.690 20.494 -10.973 1.00 0.00 O ATOM 0 H TYR A 75 -6.114 16.322 -14.666 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.876 16.109 -14.082 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.198 16.455 -11.827 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -6.904 15.550 -12.587 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.848 16.891 -13.429 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.742 18.520 -10.759 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.239 18.610 -12.736 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.135 20.243 -10.068 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.103 21.078 -10.303 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.667 18.476 -13.385 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.255 19.810 -13.379 1.00 0.00 C ATOM 1218 C LYS A 76 -9.510 20.729 -12.416 1.00 0.00 C ATOM 1219 O LYS A 76 -8.882 20.266 -11.463 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.733 19.737 -12.990 1.00 0.00 C ATOM 1221 CG LYS A 76 -11.961 19.436 -11.518 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.009 20.709 -10.690 1.00 0.00 C ATOM 1223 CE LYS A 76 -11.525 20.468 -9.269 1.00 0.00 C ATOM 1224 NZ LYS A 76 -12.566 19.810 -8.432 1.00 0.00 N ATOM 0 H LYS A 76 -10.201 17.778 -12.867 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.170 20.221 -14.385 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.212 20.684 -13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.220 18.968 -13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.895 18.887 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.163 18.791 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.392 21.474 -11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.029 21.092 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.630 19.846 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.242 21.418 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.197 19.663 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.411 20.415 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.818 18.892 -8.850 1.00 0.00 H new ATOM 1238 N SER A 77 -9.585 22.031 -12.669 1.00 0.00 N ATOM 1239 CA SER A 77 -8.916 23.014 -11.825 1.00 0.00 C ATOM 1240 C SER A 77 -9.805 24.234 -11.601 1.00 0.00 C ATOM 1241 O SER A 77 -10.389 24.771 -12.541 1.00 0.00 O ATOM 1242 CB SER A 77 -7.592 23.444 -12.459 1.00 0.00 C ATOM 1243 OG SER A 77 -6.744 22.329 -12.675 1.00 0.00 O ATOM 0 H SER A 77 -10.103 22.430 -13.452 1.00 0.00 H new ATOM 0 HA SER A 77 -8.715 22.550 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.785 23.947 -13.407 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.092 24.165 -11.812 1.00 0.00 H new ATOM 0 HG SER A 77 -6.765 21.745 -11.889 1.00 0.00 H new ATOM 1249 N GLY A 78 -9.903 24.664 -10.347 1.00 0.00 N ATOM 1250 CA GLY A 78 -10.723 25.817 -10.021 1.00 0.00 C ATOM 1251 C GLY A 78 -10.415 26.377 -8.646 1.00 0.00 C ATOM 1252 O GLY A 78 -9.650 27.330 -8.498 1.00 0.00 O ATOM 0 H GLY A 78 -9.430 24.235 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.567 26.594 -10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.775 25.536 -10.068 1.00 0.00 H new ATOM 1256 N PRO A 79 -11.021 25.779 -7.610 1.00 0.00 N ATOM 1257 CA PRO A 79 -10.824 26.208 -6.222 1.00 0.00 C ATOM 1258 C PRO A 79 -9.422 25.892 -5.712 1.00 0.00 C ATOM 1259 O PRO A 79 -8.906 24.794 -5.925 1.00 0.00 O ATOM 1260 CB PRO A 79 -11.869 25.401 -5.449 1.00 0.00 C ATOM 1261 CG PRO A 79 -12.110 24.192 -6.286 1.00 0.00 C ATOM 1262 CD PRO A 79 -11.945 24.637 -7.713 1.00 0.00 C ATOM 0 HA PRO A 79 -10.931 27.287 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.506 25.130 -4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.786 25.973 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.403 23.400 -6.040 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -13.109 23.792 -6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -11.534 23.843 -8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -12.897 24.929 -8.155 1.00 0.00 H new ATOM 1270 N SER A 80 -8.811 26.859 -5.035 1.00 0.00 N ATOM 1271 CA SER A 80 -7.467 26.684 -4.497 1.00 0.00 C ATOM 1272 C SER A 80 -7.383 25.421 -3.646 1.00 0.00 C ATOM 1273 O SER A 80 -8.266 25.146 -2.833 1.00 0.00 O ATOM 1274 CB SER A 80 -7.067 27.902 -3.662 1.00 0.00 C ATOM 1275 OG SER A 80 -7.999 28.135 -2.621 1.00 0.00 O ATOM 0 H SER A 80 -9.225 27.772 -4.846 1.00 0.00 H new ATOM 0 HA SER A 80 -6.777 26.584 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.075 27.746 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.005 28.782 -4.303 1.00 0.00 H new ATOM 0 HG SER A 80 -7.720 28.917 -2.101 1.00 0.00 H new ATOM 1281 N SER A 81 -6.314 24.655 -3.839 1.00 0.00 N ATOM 1282 CA SER A 81 -6.115 23.418 -3.093 1.00 0.00 C ATOM 1283 C SER A 81 -5.286 23.668 -1.838 1.00 0.00 C ATOM 1284 O SER A 81 -4.536 24.640 -1.759 1.00 0.00 O ATOM 1285 CB SER A 81 -5.426 22.372 -3.973 1.00 0.00 C ATOM 1286 OG SER A 81 -4.257 22.901 -4.573 1.00 0.00 O ATOM 0 H SER A 81 -5.572 24.869 -4.506 1.00 0.00 H new ATOM 0 HA SER A 81 -7.093 23.043 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.167 21.500 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.114 22.033 -4.747 1.00 0.00 H new ATOM 0 HG SER A 81 -3.834 22.213 -5.128 1.00 0.00 H new ATOM 1292 N GLY A 82 -5.427 22.782 -0.856 1.00 0.00 N ATOM 1293 CA GLY A 82 -4.686 22.924 0.383 1.00 0.00 C ATOM 1294 C GLY A 82 -3.204 22.659 0.206 1.00 0.00 C ATOM 1295 O GLY A 82 -2.398 23.590 0.188 1.00 0.00 O ATOM 0 H GLY A 82 -6.041 21.969 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.828 23.932 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.089 22.235 1.125 1.00 0.00 H new TER 1299 GLY A 82