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 80 HIS : no HD1:sc= -0.0578 X(o=-0.11,f=-0.0062) USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.0567 X(o=-0.11,f=-0.059) USER MOD Set 2.1: A 78 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-1.1) USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0 X(o=-0.38,f=-0.56) USER MOD Set 3.1: A 4 THR OG1 : rot -63:sc= 0.914 USER MOD Set 3.2: A 7 THR OG1 : rot 87:sc= 0.647 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0383 (180deg=-0.392) USER MOD Single : A 2 GLN : amide:sc= 0.953 K(o=0.95,f=-0.026) USER MOD Single : A 3 TYR OH : rot -39:sc= -0.16 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 92:sc= 0.863 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= -1.42 (180deg=-1.7) USER MOD Single : A 28 SER OG : rot 50:sc= 0.388 USER MOD Single : A 31 MET CE :methyl 157:sc= -0.124 (180deg=-0.963) USER MOD Single : A 35 SER OG : rot -126:sc= -1.4 USER MOD Single : A 36 SER OG : rot 180:sc= -0.416 USER MOD Single : A 38 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.3) USER MOD Single : A 50 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-6.2!) USER MOD Single : A 53 THR OG1 : rot -71:sc= 1.57 USER MOD Single : A 57 SER OG : rot 180:sc= 0 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 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 83 HIS : no HD1:sc= -0.235 X(o=-0.24,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.841 -17.081 -10.186 1.00 0.00 N ATOM 2 CA MET A 1 -19.843 -15.982 -10.318 1.00 0.00 C ATOM 3 C MET A 1 -18.440 -16.544 -10.111 1.00 0.00 C ATOM 4 O MET A 1 -18.155 -17.172 -9.091 1.00 0.00 O ATOM 5 CB MET A 1 -20.135 -14.905 -9.271 1.00 0.00 C ATOM 6 CG MET A 1 -21.447 -14.199 -9.621 1.00 0.00 C ATOM 7 SD MET A 1 -21.820 -12.957 -8.358 1.00 0.00 S ATOM 8 CE MET A 1 -23.500 -12.573 -8.908 1.00 0.00 C ATOM 0 H1 MET A 1 -21.736 -16.793 -10.631 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.480 -17.936 -10.656 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.004 -17.283 -9.179 1.00 0.00 H new ATOM 0 HA MET A 1 -19.908 -15.542 -11.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.204 -15.354 -8.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.319 -14.184 -9.238 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.368 -13.725 -10.600 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.258 -14.925 -9.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.931 -11.813 -8.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.471 -12.200 -9.932 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.111 -13.475 -8.867 1.00 0.00 H new ATOM 20 N GLN A 2 -17.568 -16.315 -11.088 1.00 0.00 N ATOM 21 CA GLN A 2 -16.196 -16.803 -11.005 1.00 0.00 C ATOM 22 C GLN A 2 -15.453 -16.125 -9.861 1.00 0.00 C ATOM 23 O GLN A 2 -14.666 -16.757 -9.159 1.00 0.00 O ATOM 24 CB GLN A 2 -15.461 -16.536 -12.320 1.00 0.00 C ATOM 25 CG GLN A 2 -14.070 -17.175 -12.273 1.00 0.00 C ATOM 26 CD GLN A 2 -13.312 -16.873 -13.560 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.807 -17.145 -14.654 1.00 0.00 O ATOM 28 NE2 GLN A 2 -12.133 -16.319 -13.490 1.00 0.00 N ATOM 0 H GLN A 2 -17.785 -15.798 -11.940 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.227 -17.877 -10.819 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.031 -16.943 -13.155 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.373 -15.462 -12.487 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.515 -16.793 -11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.161 -18.253 -12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.728 -16.096 -12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.617 -16.109 -14.344 1.00 0.00 H new ATOM 37 N TYR A 3 -15.704 -14.834 -9.682 1.00 0.00 N ATOM 38 CA TYR A 3 -15.045 -14.087 -8.622 1.00 0.00 C ATOM 39 C TYR A 3 -15.572 -14.554 -7.270 1.00 0.00 C ATOM 40 O TYR A 3 -16.773 -14.767 -7.104 1.00 0.00 O ATOM 41 CB TYR A 3 -15.309 -12.587 -8.799 1.00 0.00 C ATOM 42 CG TYR A 3 -14.952 -12.179 -10.214 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.619 -12.221 -10.647 1.00 0.00 C ATOM 44 CD2 TYR A 3 -15.959 -11.770 -11.101 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.298 -11.854 -11.959 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.634 -11.405 -12.413 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.304 -11.447 -12.842 1.00 0.00 C ATOM 48 OH TYR A 3 -13.982 -11.088 -14.136 1.00 0.00 O ATOM 0 H TYR A 3 -16.352 -14.289 -10.251 1.00 0.00 H new ATOM 0 HA TYR A 3 -13.970 -14.262 -8.669 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.357 -12.364 -8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -14.718 -12.015 -8.083 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.840 -12.536 -9.968 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.987 -11.737 -10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.271 -11.885 -12.291 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -16.411 -11.091 -13.094 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.141 -10.585 -14.136 1.00 0.00 H new ATOM 58 N THR A 4 -14.667 -14.733 -6.307 1.00 0.00 N ATOM 59 CA THR A 4 -15.054 -15.200 -4.971 1.00 0.00 C ATOM 60 C THR A 4 -14.238 -14.462 -3.908 1.00 0.00 C ATOM 61 O THR A 4 -13.153 -13.955 -4.192 1.00 0.00 O ATOM 62 CB THR A 4 -14.826 -16.728 -4.851 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.750 -16.991 -3.959 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.497 -17.320 -6.225 1.00 0.00 C ATOM 0 H THR A 4 -13.668 -14.564 -6.423 1.00 0.00 H new ATOM 0 HA THR A 4 -16.113 -14.992 -4.816 1.00 0.00 H new ATOM 0 HB THR A 4 -15.737 -17.187 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.923 -16.610 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.339 -18.394 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.325 -17.135 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.593 -16.853 -6.615 1.00 0.00 H new ATOM 72 N PRO A 5 -14.737 -14.385 -2.700 1.00 0.00 N ATOM 73 CA PRO A 5 -14.035 -13.681 -1.587 1.00 0.00 C ATOM 74 C PRO A 5 -12.744 -14.390 -1.175 1.00 0.00 C ATOM 75 O PRO A 5 -11.855 -13.778 -0.586 1.00 0.00 O ATOM 76 CB PRO A 5 -15.067 -13.678 -0.447 1.00 0.00 C ATOM 77 CG PRO A 5 -15.962 -14.840 -0.735 1.00 0.00 C ATOM 78 CD PRO A 5 -16.020 -14.959 -2.258 1.00 0.00 C ATOM 0 HA PRO A 5 -13.716 -12.678 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.583 -13.783 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -15.628 -12.744 -0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.572 -15.754 -0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -16.956 -14.680 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.125 -15.996 -2.575 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.867 -14.412 -2.671 1.00 0.00 H new ATOM 86 N ASP A 6 -12.643 -15.683 -1.490 1.00 0.00 N ATOM 87 CA ASP A 6 -11.448 -16.455 -1.149 1.00 0.00 C ATOM 88 C ASP A 6 -11.052 -17.338 -2.322 1.00 0.00 C ATOM 89 O ASP A 6 -11.542 -18.458 -2.459 1.00 0.00 O ATOM 90 CB ASP A 6 -11.726 -17.327 0.075 1.00 0.00 C ATOM 91 CG ASP A 6 -11.834 -16.458 1.323 1.00 0.00 C ATOM 92 OD1 ASP A 6 -11.418 -15.312 1.264 1.00 0.00 O ATOM 93 OD2 ASP A 6 -12.330 -16.952 2.322 1.00 0.00 O ATOM 0 H ASP A 6 -13.367 -16.213 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.633 -15.767 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.650 -17.886 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.927 -18.058 0.199 1.00 0.00 H new ATOM 98 N THR A 7 -10.164 -16.830 -3.169 1.00 0.00 N ATOM 99 CA THR A 7 -9.713 -17.586 -4.332 1.00 0.00 C ATOM 100 C THR A 7 -8.213 -17.375 -4.539 1.00 0.00 C ATOM 101 O THR A 7 -7.734 -16.241 -4.536 1.00 0.00 O ATOM 102 CB THR A 7 -10.499 -17.116 -5.573 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.744 -16.576 -5.151 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.771 -18.292 -6.512 1.00 0.00 C ATOM 0 H THR A 7 -9.745 -15.905 -3.074 1.00 0.00 H new ATOM 0 HA THR A 7 -9.893 -18.649 -4.174 1.00 0.00 H new ATOM 0 HB THR A 7 -9.910 -16.366 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.632 -15.627 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.326 -17.942 -7.382 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.825 -18.725 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.356 -19.048 -5.988 1.00 0.00 H new ATOM 112 N ALA A 8 -7.477 -18.464 -4.734 1.00 0.00 N ATOM 113 CA ALA A 8 -6.035 -18.365 -4.959 1.00 0.00 C ATOM 114 C ALA A 8 -5.760 -18.245 -6.451 1.00 0.00 C ATOM 115 O ALA A 8 -5.833 -19.230 -7.187 1.00 0.00 O ATOM 116 CB ALA A 8 -5.325 -19.601 -4.402 1.00 0.00 C ATOM 0 H ALA A 8 -7.847 -19.415 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.656 -17.481 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.253 -19.514 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.514 -19.677 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.702 -20.493 -4.901 1.00 0.00 H new ATOM 122 N TRP A 9 -5.456 -17.026 -6.894 1.00 0.00 N ATOM 123 CA TRP A 9 -5.188 -16.771 -8.309 1.00 0.00 C ATOM 124 C TRP A 9 -3.690 -16.663 -8.551 1.00 0.00 C ATOM 125 O TRP A 9 -2.970 -16.019 -7.788 1.00 0.00 O ATOM 126 CB TRP A 9 -5.875 -15.464 -8.739 1.00 0.00 C ATOM 127 CG TRP A 9 -7.337 -15.701 -8.965 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.132 -16.478 -8.193 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.191 -15.167 -10.016 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.412 -16.458 -8.707 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.500 -15.666 -9.828 1.00 0.00 C ATOM 132 CE3 TRP A 9 -7.961 -14.311 -11.106 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.542 -15.329 -10.683 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.009 -13.965 -11.972 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.300 -14.474 -11.762 1.00 0.00 C ATOM 0 H TRP A 9 -5.389 -16.202 -6.296 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.582 -17.600 -8.896 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.736 -14.702 -7.972 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.415 -15.085 -9.652 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.816 -17.025 -7.317 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.198 -16.969 -8.305 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.970 -13.917 -11.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.533 -15.725 -10.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -8.821 -13.303 -12.805 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.104 -14.206 -12.432 1.00 0.00 H new ATOM 146 N LYS A 10 -3.226 -17.297 -9.625 1.00 0.00 N ATOM 147 CA LYS A 10 -1.810 -17.267 -9.973 1.00 0.00 C ATOM 148 C LYS A 10 -1.574 -16.260 -11.092 1.00 0.00 C ATOM 149 O LYS A 10 -2.290 -16.257 -12.094 1.00 0.00 O ATOM 150 CB LYS A 10 -1.360 -18.655 -10.418 1.00 0.00 C ATOM 151 CG LYS A 10 0.159 -18.668 -10.565 1.00 0.00 C ATOM 152 CD LYS A 10 0.625 -20.080 -10.914 1.00 0.00 C ATOM 153 CE LYS A 10 2.146 -20.095 -11.031 1.00 0.00 C ATOM 154 NZ LYS A 10 2.605 -21.470 -11.371 1.00 0.00 N ATOM 0 H LYS A 10 -3.808 -17.836 -10.266 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.232 -16.968 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.673 -19.403 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.831 -18.917 -11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.466 -17.970 -11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.628 -18.338 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.301 -20.782 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.173 -20.403 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.469 -19.392 -11.799 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.597 -19.771 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.642 -21.480 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.309 -22.130 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.185 -21.762 -12.277 1.00 0.00 H new ATOM 168 N ILE A 11 -0.582 -15.392 -10.905 1.00 0.00 N ATOM 169 CA ILE A 11 -0.274 -14.362 -11.895 1.00 0.00 C ATOM 170 C ILE A 11 0.627 -14.920 -12.992 1.00 0.00 C ATOM 171 O ILE A 11 1.706 -15.442 -12.711 1.00 0.00 O ATOM 172 CB ILE A 11 0.436 -13.178 -11.221 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.297 -12.789 -9.936 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.426 -11.977 -12.168 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.534 -11.767 -9.154 1.00 0.00 C ATOM 0 H ILE A 11 0.020 -15.381 -10.081 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.212 -14.028 -12.337 1.00 0.00 H new ATOM 0 HB ILE A 11 1.460 -13.468 -10.986 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.274 -12.370 -10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.472 -13.674 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.929 -11.135 -11.693 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.946 -12.237 -13.090 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.604 -11.702 -12.397 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.008 -11.493 -8.240 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.501 -12.202 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.686 -10.877 -9.765 1.00 0.00 H new ATOM 187 N THR A 12 0.184 -14.800 -14.244 1.00 0.00 N ATOM 188 CA THR A 12 0.965 -15.290 -15.384 1.00 0.00 C ATOM 189 C THR A 12 1.506 -14.121 -16.203 1.00 0.00 C ATOM 190 O THR A 12 2.654 -14.140 -16.647 1.00 0.00 O ATOM 191 CB THR A 12 0.088 -16.174 -16.272 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.480 -17.214 -15.489 1.00 0.00 O ATOM 193 CG2 THR A 12 0.935 -16.781 -17.391 1.00 0.00 C ATOM 0 H THR A 12 -0.706 -14.370 -14.495 1.00 0.00 H new ATOM 0 HA THR A 12 1.804 -15.873 -15.005 1.00 0.00 H new ATOM 0 HB THR A 12 -0.708 -15.571 -16.710 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.044 -17.780 -16.057 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.307 -17.410 -18.022 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.369 -15.983 -17.993 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.733 -17.384 -16.957 1.00 0.00 H new ATOM 201 N GLY A 13 0.673 -13.103 -16.398 1.00 0.00 N ATOM 202 CA GLY A 13 1.082 -11.930 -17.165 1.00 0.00 C ATOM 203 C GLY A 13 -0.129 -11.144 -17.656 1.00 0.00 C ATOM 204 O GLY A 13 -1.267 -11.454 -17.307 1.00 0.00 O ATOM 0 H GLY A 13 -0.281 -13.066 -16.039 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.709 -11.288 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.687 -12.242 -18.017 1.00 0.00 H new ATOM 208 N PHE A 14 0.130 -10.118 -18.467 1.00 0.00 N ATOM 209 CA PHE A 14 -0.938 -9.276 -19.009 1.00 0.00 C ATOM 210 C PHE A 14 -1.213 -9.616 -20.475 1.00 0.00 C ATOM 211 O PHE A 14 -0.303 -9.981 -21.219 1.00 0.00 O ATOM 212 CB PHE A 14 -0.538 -7.803 -18.890 1.00 0.00 C ATOM 213 CG PHE A 14 0.932 -7.647 -19.193 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.876 -7.812 -18.172 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.351 -7.326 -20.488 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.239 -7.657 -18.448 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.714 -7.168 -20.763 1.00 0.00 C ATOM 218 CZ PHE A 14 3.659 -7.334 -19.744 1.00 0.00 C ATOM 0 H PHE A 14 1.069 -9.850 -18.763 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.847 -9.461 -18.437 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.127 -7.200 -19.581 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.752 -7.438 -17.885 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.552 -8.059 -17.172 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.623 -7.200 -21.276 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.967 -7.787 -17.661 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.037 -6.918 -21.763 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.711 -7.213 -19.957 1.00 0.00 H new ATOM 228 N SER A 15 -2.474 -9.482 -20.880 1.00 0.00 N ATOM 229 CA SER A 15 -2.866 -9.765 -22.259 1.00 0.00 C ATOM 230 C SER A 15 -2.495 -8.598 -23.174 1.00 0.00 C ATOM 231 O SER A 15 -2.057 -7.549 -22.708 1.00 0.00 O ATOM 232 CB SER A 15 -4.372 -10.030 -22.330 1.00 0.00 C ATOM 233 OG SER A 15 -4.615 -11.393 -22.012 1.00 0.00 O ATOM 0 H SER A 15 -3.239 -9.181 -20.276 1.00 0.00 H new ATOM 0 HA SER A 15 -2.331 -10.652 -22.597 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.902 -9.380 -21.634 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.748 -9.803 -23.328 1.00 0.00 H new ATOM 0 HG SER A 15 -4.775 -11.481 -21.049 1.00 0.00 H new ATOM 239 N ARG A 16 -2.673 -8.794 -24.476 1.00 0.00 N ATOM 240 CA ARG A 16 -2.359 -7.755 -25.449 1.00 0.00 C ATOM 241 C ARG A 16 -3.352 -6.601 -25.342 1.00 0.00 C ATOM 242 O ARG A 16 -2.979 -5.433 -25.444 1.00 0.00 O ATOM 243 CB ARG A 16 -2.393 -8.338 -26.866 1.00 0.00 C ATOM 244 CG ARG A 16 -1.161 -9.227 -27.101 1.00 0.00 C ATOM 245 CD ARG A 16 -1.238 -10.482 -26.225 1.00 0.00 C ATOM 246 NE ARG A 16 -0.346 -11.514 -26.746 1.00 0.00 N ATOM 247 CZ ARG A 16 0.943 -11.546 -26.416 1.00 0.00 C ATOM 248 NH1 ARG A 16 1.432 -10.643 -25.611 1.00 0.00 N ATOM 249 NH2 ARG A 16 1.715 -12.482 -26.896 1.00 0.00 N ATOM 0 H ARG A 16 -3.032 -9.659 -24.880 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.359 -7.376 -25.239 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.304 -8.921 -27.006 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.414 -7.532 -27.599 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.104 -9.511 -28.152 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.253 -8.670 -26.872 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.962 -10.236 -25.199 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.262 -10.855 -26.199 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.718 -12.225 -27.376 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.827 -9.913 -25.235 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.420 -10.667 -25.358 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.331 -13.188 -27.524 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.703 -12.507 -26.644 1.00 0.00 H new ATOM 263 N GLU A 17 -4.622 -6.944 -25.146 1.00 0.00 N ATOM 264 CA GLU A 17 -5.672 -5.936 -25.040 1.00 0.00 C ATOM 265 C GLU A 17 -5.520 -5.132 -23.754 1.00 0.00 C ATOM 266 O GLU A 17 -6.156 -4.093 -23.580 1.00 0.00 O ATOM 267 CB GLU A 17 -7.046 -6.614 -25.082 1.00 0.00 C ATOM 268 CG GLU A 17 -8.145 -5.550 -25.184 1.00 0.00 C ATOM 269 CD GLU A 17 -9.498 -6.213 -25.420 1.00 0.00 C ATOM 270 OE1 GLU A 17 -9.568 -7.426 -25.321 1.00 0.00 O ATOM 271 OE2 GLU A 17 -10.447 -5.496 -25.695 1.00 0.00 O ATOM 0 H GLU A 17 -4.948 -7.907 -25.058 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.585 -5.250 -25.882 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.102 -7.291 -25.934 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.192 -7.217 -24.186 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.176 -4.959 -24.268 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.921 -4.862 -26.000 1.00 0.00 H new ATOM 278 N ILE A 18 -4.666 -5.610 -22.857 1.00 0.00 N ATOM 279 CA ILE A 18 -4.433 -4.921 -21.592 1.00 0.00 C ATOM 280 C ILE A 18 -4.358 -3.409 -21.808 1.00 0.00 C ATOM 281 O ILE A 18 -3.924 -2.943 -22.862 1.00 0.00 O ATOM 282 CB ILE A 18 -3.126 -5.419 -20.977 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.948 -4.833 -19.571 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.953 -4.985 -21.862 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.034 -5.361 -18.622 1.00 0.00 C ATOM 0 H ILE A 18 -4.126 -6.467 -22.980 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.262 -5.133 -20.917 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.155 -6.506 -20.908 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.963 -5.094 -19.185 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.995 -3.745 -19.616 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.018 -5.338 -21.426 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.072 -5.410 -22.859 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.932 -3.897 -21.931 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.890 -4.933 -17.630 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.016 -5.078 -19.000 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.968 -6.447 -18.562 1.00 0.00 H new ATOM 297 N SER A 19 -4.793 -2.652 -20.805 1.00 0.00 N ATOM 298 CA SER A 19 -4.781 -1.196 -20.899 1.00 0.00 C ATOM 299 C SER A 19 -3.353 -0.653 -20.705 1.00 0.00 C ATOM 300 O SER A 19 -2.618 -1.166 -19.862 1.00 0.00 O ATOM 301 CB SER A 19 -5.695 -0.612 -19.824 1.00 0.00 C ATOM 302 OG SER A 19 -5.368 -1.193 -18.569 1.00 0.00 O ATOM 0 H SER A 19 -5.155 -3.019 -19.925 1.00 0.00 H new ATOM 0 HA SER A 19 -5.135 -0.905 -21.888 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.578 0.471 -19.779 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.738 -0.810 -20.069 1.00 0.00 H new ATOM 0 HG SER A 19 -5.950 -0.821 -17.874 1.00 0.00 H new ATOM 308 N PRO A 20 -2.938 0.368 -21.439 1.00 0.00 N ATOM 309 CA PRO A 20 -1.562 0.940 -21.282 1.00 0.00 C ATOM 310 C PRO A 20 -1.201 1.236 -19.823 1.00 0.00 C ATOM 311 O PRO A 20 -0.065 1.021 -19.400 1.00 0.00 O ATOM 312 CB PRO A 20 -1.617 2.252 -22.085 1.00 0.00 C ATOM 313 CG PRO A 20 -2.684 2.048 -23.110 1.00 0.00 C ATOM 314 CD PRO A 20 -3.700 1.073 -22.498 1.00 0.00 C ATOM 0 HA PRO A 20 -0.803 0.238 -21.627 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.850 3.098 -21.439 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.657 2.465 -22.555 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.161 2.994 -23.366 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.264 1.643 -24.031 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.560 1.601 -22.085 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.082 0.376 -23.244 1.00 0.00 H new ATOM 322 N ALA A 21 -2.164 1.753 -19.067 1.00 0.00 N ATOM 323 CA ALA A 21 -1.923 2.101 -17.667 1.00 0.00 C ATOM 324 C ALA A 21 -1.396 0.909 -16.872 1.00 0.00 C ATOM 325 O ALA A 21 -0.341 0.989 -16.237 1.00 0.00 O ATOM 326 CB ALA A 21 -3.223 2.597 -17.033 1.00 0.00 C ATOM 0 H ALA A 21 -3.112 1.940 -19.394 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.166 2.885 -17.642 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.043 2.856 -15.990 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.577 3.477 -17.570 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.977 1.812 -17.087 1.00 0.00 H new ATOM 332 N TYR A 22 -2.131 -0.192 -16.905 1.00 0.00 N ATOM 333 CA TYR A 22 -1.731 -1.389 -16.179 1.00 0.00 C ATOM 334 C TYR A 22 -0.412 -1.929 -16.729 1.00 0.00 C ATOM 335 O TYR A 22 0.508 -2.271 -15.978 1.00 0.00 O ATOM 336 CB TYR A 22 -2.826 -2.448 -16.306 1.00 0.00 C ATOM 337 CG TYR A 22 -2.440 -3.672 -15.521 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.593 -4.626 -16.093 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.930 -3.855 -14.222 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.235 -5.764 -15.366 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.572 -4.994 -13.496 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.723 -5.948 -14.067 1.00 0.00 C ATOM 343 OH TYR A 22 -1.369 -7.071 -13.350 1.00 0.00 O ATOM 0 H TYR A 22 -3.004 -0.282 -17.424 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.588 -1.139 -15.128 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.773 -2.052 -15.939 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.974 -2.708 -17.354 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.216 -4.483 -17.095 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.584 -3.117 -13.782 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.581 -6.502 -15.807 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.950 -5.138 -12.495 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.793 -7.042 -12.467 1.00 0.00 H new ATOM 353 N ARG A 23 -0.328 -1.993 -18.050 1.00 0.00 N ATOM 354 CA ARG A 23 0.877 -2.483 -18.701 1.00 0.00 C ATOM 355 C ARG A 23 2.068 -1.638 -18.289 1.00 0.00 C ATOM 356 O ARG A 23 3.138 -2.160 -17.968 1.00 0.00 O ATOM 357 CB ARG A 23 0.707 -2.420 -20.215 1.00 0.00 C ATOM 358 CG ARG A 23 1.833 -3.204 -20.889 1.00 0.00 C ATOM 359 CD ARG A 23 1.666 -3.132 -22.410 1.00 0.00 C ATOM 360 NE ARG A 23 1.839 -1.759 -22.872 1.00 0.00 N ATOM 361 CZ ARG A 23 1.654 -1.436 -24.148 1.00 0.00 C ATOM 362 NH1 ARG A 23 1.305 -2.352 -25.009 1.00 0.00 N ATOM 363 NH2 ARG A 23 1.821 -0.202 -24.541 1.00 0.00 N ATOM 0 H ARG A 23 -1.074 -1.714 -18.687 1.00 0.00 H new ATOM 0 HA ARG A 23 1.048 -3.516 -18.398 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.260 -2.834 -20.500 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.721 -1.383 -20.550 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.800 -2.794 -20.599 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.815 -4.243 -20.559 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.396 -3.781 -22.894 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.678 -3.497 -22.692 1.00 0.00 H new ATOM 0 HE ARG A 23 2.106 -1.035 -22.205 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.174 -3.316 -24.703 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.163 -2.104 -25.988 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.094 0.515 -23.869 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.679 0.045 -25.520 1.00 0.00 H new ATOM 377 N GLN A 24 1.873 -0.327 -18.290 1.00 0.00 N ATOM 378 CA GLN A 24 2.937 0.579 -17.903 1.00 0.00 C ATOM 379 C GLN A 24 3.329 0.301 -16.461 1.00 0.00 C ATOM 380 O GLN A 24 4.495 0.419 -16.093 1.00 0.00 O ATOM 381 CB GLN A 24 2.484 2.033 -18.050 1.00 0.00 C ATOM 382 CG GLN A 24 3.684 2.966 -17.861 1.00 0.00 C ATOM 383 CD GLN A 24 4.646 2.822 -19.035 1.00 0.00 C ATOM 384 OE1 GLN A 24 4.215 2.635 -20.173 1.00 0.00 O ATOM 385 NE2 GLN A 24 5.931 2.906 -18.827 1.00 0.00 N ATOM 0 H GLN A 24 0.997 0.126 -18.552 1.00 0.00 H new ATOM 0 HA GLN A 24 3.796 0.420 -18.555 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.041 2.189 -19.033 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.714 2.261 -17.313 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.344 3.999 -17.784 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.197 2.729 -16.929 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.286 3.061 -17.883 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.581 2.817 -19.608 1.00 0.00 H new ATOM 394 N LYS A 25 2.347 -0.082 -15.646 1.00 0.00 N ATOM 395 CA LYS A 25 2.624 -0.384 -14.248 1.00 0.00 C ATOM 396 C LYS A 25 3.638 -1.521 -14.153 1.00 0.00 C ATOM 397 O LYS A 25 4.612 -1.426 -13.408 1.00 0.00 O ATOM 398 CB LYS A 25 1.333 -0.782 -13.523 1.00 0.00 C ATOM 399 CG LYS A 25 1.528 -0.660 -12.006 1.00 0.00 C ATOM 400 CD LYS A 25 0.197 -0.914 -11.288 1.00 0.00 C ATOM 401 CE LYS A 25 -0.222 -2.378 -11.460 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.255 -2.722 -10.446 1.00 0.00 N ATOM 0 H LYS A 25 1.372 -0.188 -15.925 1.00 0.00 H new ATOM 0 HA LYS A 25 3.035 0.507 -13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.512 -0.142 -13.846 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.060 -1.805 -13.782 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.276 -1.377 -11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.902 0.333 -11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.295 -0.678 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.574 -0.257 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.615 -2.539 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.644 -3.031 -11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.984 -3.600 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.331 -1.950 -9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.172 -2.856 -10.917 1.00 0.00 H new ATOM 416 N LEU A 26 3.416 -2.590 -14.917 1.00 0.00 N ATOM 417 CA LEU A 26 4.348 -3.720 -14.901 1.00 0.00 C ATOM 418 C LEU A 26 5.723 -3.274 -15.398 1.00 0.00 C ATOM 419 O LEU A 26 6.751 -3.657 -14.838 1.00 0.00 O ATOM 420 CB LEU A 26 3.824 -4.870 -15.784 1.00 0.00 C ATOM 421 CG LEU A 26 2.833 -5.764 -15.010 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.537 -6.463 -13.833 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.657 -4.927 -14.499 1.00 0.00 C ATOM 0 H LEU A 26 2.618 -2.699 -15.542 1.00 0.00 H new ATOM 0 HA LEU A 26 4.434 -4.078 -13.875 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.334 -4.459 -16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.662 -5.472 -16.136 1.00 0.00 H new ATOM 0 HG LEU A 26 2.456 -6.529 -15.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.821 -7.089 -13.300 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.349 -7.083 -14.211 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.940 -5.713 -13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.964 -5.568 -13.954 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.028 -4.146 -13.835 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.141 -4.470 -15.344 1.00 0.00 H new ATOM 435 N LEU A 27 5.738 -2.469 -16.452 1.00 0.00 N ATOM 436 CA LEU A 27 6.996 -1.985 -17.005 1.00 0.00 C ATOM 437 C LEU A 27 7.622 -0.933 -16.093 1.00 0.00 C ATOM 438 O LEU A 27 8.843 -0.789 -16.040 1.00 0.00 O ATOM 439 CB LEU A 27 6.769 -1.398 -18.406 1.00 0.00 C ATOM 440 CG LEU A 27 8.121 -0.929 -19.017 1.00 0.00 C ATOM 441 CD1 LEU A 27 8.195 -1.305 -20.504 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.263 0.597 -18.886 1.00 0.00 C ATOM 0 H LEU A 27 4.903 -2.140 -16.937 1.00 0.00 H new ATOM 0 HA LEU A 27 7.682 -2.829 -17.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.310 -2.146 -19.052 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.077 -0.558 -18.349 1.00 0.00 H new ATOM 0 HG LEU A 27 8.927 -1.422 -18.474 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.147 -0.970 -20.917 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.114 -2.387 -20.610 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.377 -0.825 -21.042 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.213 0.912 -19.317 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.445 1.085 -19.415 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.232 0.876 -17.833 1.00 0.00 H new ATOM 454 N SER A 28 6.776 -0.186 -15.391 1.00 0.00 N ATOM 455 CA SER A 28 7.253 0.868 -14.499 1.00 0.00 C ATOM 456 C SER A 28 8.157 0.305 -13.405 1.00 0.00 C ATOM 457 O SER A 28 9.195 0.884 -13.087 1.00 0.00 O ATOM 458 CB SER A 28 6.066 1.583 -13.856 1.00 0.00 C ATOM 459 OG SER A 28 5.320 2.258 -14.861 1.00 0.00 O ATOM 0 H SER A 28 5.762 -0.289 -15.421 1.00 0.00 H new ATOM 0 HA SER A 28 7.832 1.573 -15.096 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.431 0.864 -13.338 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.417 2.295 -13.109 1.00 0.00 H new ATOM 0 HG SER A 28 5.127 1.639 -15.596 1.00 0.00 H new ATOM 465 N LEU A 29 7.750 -0.823 -12.828 1.00 0.00 N ATOM 466 CA LEU A 29 8.518 -1.468 -11.756 1.00 0.00 C ATOM 467 C LEU A 29 8.960 -2.868 -12.185 1.00 0.00 C ATOM 468 O LEU A 29 8.551 -3.366 -13.234 1.00 0.00 O ATOM 469 CB LEU A 29 7.665 -1.554 -10.476 1.00 0.00 C ATOM 470 CG LEU A 29 6.193 -1.777 -10.841 1.00 0.00 C ATOM 471 CD1 LEU A 29 6.055 -3.055 -11.676 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.368 -1.909 -9.555 1.00 0.00 C ATOM 0 H LEU A 29 6.892 -1.313 -13.082 1.00 0.00 H new ATOM 0 HA LEU A 29 9.406 -0.869 -11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.020 -2.370 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.770 -0.636 -9.897 1.00 0.00 H new ATOM 0 HG LEU A 29 5.830 -0.930 -11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.007 -3.210 -11.933 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.643 -2.958 -12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.417 -3.907 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.320 -2.068 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.733 -2.756 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.464 -0.997 -8.966 1.00 0.00 H new ATOM 484 N GLY A 30 9.804 -3.492 -11.366 1.00 0.00 N ATOM 485 CA GLY A 30 10.305 -4.833 -11.662 1.00 0.00 C ATOM 486 C GLY A 30 9.442 -5.896 -10.991 1.00 0.00 C ATOM 487 O GLY A 30 9.768 -7.084 -11.021 1.00 0.00 O ATOM 0 H GLY A 30 10.154 -3.093 -10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.313 -4.993 -12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.335 -4.925 -11.318 1.00 0.00 H new ATOM 491 N MET A 31 8.338 -5.463 -10.392 1.00 0.00 N ATOM 492 CA MET A 31 7.431 -6.389 -9.722 1.00 0.00 C ATOM 493 C MET A 31 6.579 -7.107 -10.760 1.00 0.00 C ATOM 494 O MET A 31 5.399 -6.799 -10.932 1.00 0.00 O ATOM 495 CB MET A 31 6.520 -5.628 -8.758 1.00 0.00 C ATOM 496 CG MET A 31 7.351 -5.022 -7.624 1.00 0.00 C ATOM 497 SD MET A 31 6.287 -3.981 -6.592 1.00 0.00 S ATOM 498 CE MET A 31 5.257 -5.300 -5.903 1.00 0.00 C ATOM 0 H MET A 31 8.051 -4.485 -10.356 1.00 0.00 H new ATOM 0 HA MET A 31 8.018 -7.116 -9.161 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.988 -4.840 -9.292 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.766 -6.301 -8.349 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.798 -5.813 -7.023 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.170 -4.431 -8.034 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.818 -4.965 -4.963 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.462 -5.546 -6.607 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.869 -6.184 -5.723 1.00 0.00 H new ATOM 508 N LEU A 32 7.190 -8.058 -11.461 1.00 0.00 N ATOM 509 CA LEU A 32 6.492 -8.813 -12.502 1.00 0.00 C ATOM 510 C LEU A 32 5.901 -10.104 -11.913 1.00 0.00 C ATOM 511 O LEU A 32 6.196 -10.452 -10.771 1.00 0.00 O ATOM 512 CB LEU A 32 7.494 -9.116 -13.647 1.00 0.00 C ATOM 513 CG LEU A 32 7.135 -8.328 -14.926 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.572 -6.866 -14.776 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.864 -8.938 -16.119 1.00 0.00 C ATOM 0 H LEU A 32 8.165 -8.325 -11.329 1.00 0.00 H new ATOM 0 HA LEU A 32 5.663 -8.230 -12.902 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.504 -8.857 -13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.492 -10.185 -13.862 1.00 0.00 H new ATOM 0 HG LEU A 32 6.057 -8.375 -15.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.316 -6.315 -15.681 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.061 -6.419 -13.923 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.650 -6.823 -14.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.611 -8.383 -17.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.940 -8.889 -15.952 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.562 -9.979 -16.237 1.00 0.00 H new ATOM 527 N PRO A 33 5.068 -10.809 -12.653 1.00 0.00 N ATOM 528 CA PRO A 33 4.434 -12.068 -12.156 1.00 0.00 C ATOM 529 C PRO A 33 5.447 -13.034 -11.547 1.00 0.00 C ATOM 530 O PRO A 33 6.605 -12.687 -11.320 1.00 0.00 O ATOM 531 CB PRO A 33 3.787 -12.681 -13.404 1.00 0.00 C ATOM 532 CG PRO A 33 3.543 -11.531 -14.326 1.00 0.00 C ATOM 533 CD PRO A 33 4.632 -10.490 -14.030 1.00 0.00 C ATOM 0 HA PRO A 33 3.722 -11.865 -11.356 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.442 -13.421 -13.863 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.856 -13.190 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.588 -11.853 -15.366 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.551 -11.110 -14.165 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.458 -10.564 -14.737 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.243 -9.474 -14.100 1.00 0.00 H new ATOM 541 N GLY A 34 4.991 -14.257 -11.292 1.00 0.00 N ATOM 542 CA GLY A 34 5.842 -15.292 -10.710 1.00 0.00 C ATOM 543 C GLY A 34 5.316 -15.716 -9.344 1.00 0.00 C ATOM 544 O GLY A 34 5.903 -16.569 -8.678 1.00 0.00 O ATOM 0 H GLY A 34 4.034 -14.557 -11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.880 -16.155 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.862 -14.919 -10.613 1.00 0.00 H new ATOM 548 N SER A 35 4.203 -15.112 -8.931 1.00 0.00 N ATOM 549 CA SER A 35 3.591 -15.425 -7.639 1.00 0.00 C ATOM 550 C SER A 35 2.074 -15.471 -7.771 1.00 0.00 C ATOM 551 O SER A 35 1.536 -15.389 -8.875 1.00 0.00 O ATOM 552 CB SER A 35 3.979 -14.370 -6.603 1.00 0.00 C ATOM 553 OG SER A 35 5.381 -14.420 -6.384 1.00 0.00 O ATOM 0 H SER A 35 3.706 -14.404 -9.471 1.00 0.00 H new ATOM 0 HA SER A 35 3.952 -16.400 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.689 -13.379 -6.951 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.447 -14.548 -5.669 1.00 0.00 H new ATOM 0 HG SER A 35 5.559 -14.525 -5.426 1.00 0.00 H new ATOM 559 N SER A 36 1.387 -15.609 -6.639 1.00 0.00 N ATOM 560 CA SER A 36 -0.077 -15.671 -6.631 1.00 0.00 C ATOM 561 C SER A 36 -0.655 -14.677 -5.634 1.00 0.00 C ATOM 562 O SER A 36 0.012 -14.281 -4.677 1.00 0.00 O ATOM 563 CB SER A 36 -0.536 -17.083 -6.267 1.00 0.00 C ATOM 564 OG SER A 36 -0.121 -17.988 -7.279 1.00 0.00 O ATOM 0 H SER A 36 1.817 -15.680 -5.717 1.00 0.00 H new ATOM 0 HA SER A 36 -0.435 -15.415 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.116 -17.378 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.621 -17.109 -6.162 1.00 0.00 H new ATOM 0 HG SER A 36 -0.413 -18.894 -7.047 1.00 0.00 H new ATOM 570 N PHE A 37 -1.905 -14.276 -5.868 1.00 0.00 N ATOM 571 CA PHE A 37 -2.583 -13.322 -4.990 1.00 0.00 C ATOM 572 C PHE A 37 -3.960 -13.847 -4.596 1.00 0.00 C ATOM 573 O PHE A 37 -4.543 -14.681 -5.291 1.00 0.00 O ATOM 574 CB PHE A 37 -2.736 -11.971 -5.698 1.00 0.00 C ATOM 575 CG PHE A 37 -3.740 -12.081 -6.825 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.343 -12.557 -8.081 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.071 -11.700 -6.612 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.273 -12.650 -9.122 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.001 -11.795 -7.652 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.603 -12.269 -8.907 1.00 0.00 C ATOM 0 H PHE A 37 -2.467 -14.596 -6.656 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.980 -13.194 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.061 -11.213 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.772 -11.647 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.317 -12.853 -8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.379 -11.333 -5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.965 -13.015 -10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.027 -11.502 -7.486 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.322 -12.341 -9.710 1.00 0.00 H new ATOM 590 N ASN A 38 -4.475 -13.349 -3.474 1.00 0.00 N ATOM 591 CA ASN A 38 -5.789 -13.762 -2.980 1.00 0.00 C ATOM 592 C ASN A 38 -6.767 -12.595 -3.040 1.00 0.00 C ATOM 593 O ASN A 38 -6.372 -11.424 -2.964 1.00 0.00 O ATOM 594 CB ASN A 38 -5.675 -14.255 -1.535 1.00 0.00 C ATOM 595 CG ASN A 38 -7.015 -14.815 -1.073 1.00 0.00 C ATOM 596 OD1 ASN A 38 -7.872 -14.069 -0.599 1.00 0.00 O ATOM 597 ND2 ASN A 38 -7.252 -16.094 -1.185 1.00 0.00 N ATOM 0 H ASN A 38 -4.004 -12.659 -2.889 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.157 -14.571 -3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.905 -15.023 -1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.369 -13.435 -0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.147 -16.475 -0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.542 -16.712 -1.578 1.00 0.00 H new ATOM 604 N VAL A 39 -8.050 -12.915 -3.179 1.00 0.00 N ATOM 605 CA VAL A 39 -9.079 -11.886 -3.249 1.00 0.00 C ATOM 606 C VAL A 39 -9.562 -11.519 -1.851 1.00 0.00 C ATOM 607 O VAL A 39 -10.027 -12.375 -1.100 1.00 0.00 O ATOM 608 CB VAL A 39 -10.267 -12.387 -4.075 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.246 -11.236 -4.326 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.766 -12.932 -5.415 1.00 0.00 C ATOM 0 H VAL A 39 -8.399 -13.871 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.649 -11.004 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.776 -13.180 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.090 -11.598 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.607 -10.851 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.739 -10.439 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.612 -13.288 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.253 -12.140 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.075 -13.756 -5.237 1.00 0.00 H new ATOM 620 N VAL A 40 -9.457 -10.240 -1.511 1.00 0.00 N ATOM 621 CA VAL A 40 -9.898 -9.770 -0.204 1.00 0.00 C ATOM 622 C VAL A 40 -11.414 -9.895 -0.069 1.00 0.00 C ATOM 623 O VAL A 40 -11.919 -10.294 0.980 1.00 0.00 O ATOM 624 CB VAL A 40 -9.451 -8.315 0.007 1.00 0.00 C ATOM 625 CG1 VAL A 40 -9.716 -7.495 -1.259 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.208 -7.694 1.191 1.00 0.00 C ATOM 0 H VAL A 40 -9.073 -9.515 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.440 -10.392 0.565 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.383 -8.307 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.396 -6.465 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.159 -7.923 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.782 -7.512 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.883 -6.663 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.279 -7.712 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.000 -8.266 2.096 1.00 0.00 H new ATOM 636 N ARG A 41 -12.130 -9.540 -1.129 1.00 0.00 N ATOM 637 CA ARG A 41 -13.586 -9.602 -1.109 1.00 0.00 C ATOM 638 C ARG A 41 -14.151 -9.311 -2.493 1.00 0.00 C ATOM 639 O ARG A 41 -13.464 -8.757 -3.350 1.00 0.00 O ATOM 640 CB ARG A 41 -14.127 -8.576 -0.107 1.00 0.00 C ATOM 641 CG ARG A 41 -13.820 -7.160 -0.604 1.00 0.00 C ATOM 642 CD ARG A 41 -14.196 -6.146 0.477 1.00 0.00 C ATOM 643 NE ARG A 41 -13.910 -4.791 0.012 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.808 -4.092 -0.679 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.968 -4.616 -0.966 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.524 -2.881 -1.077 1.00 0.00 N ATOM 0 H ARG A 41 -11.730 -9.209 -2.007 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.891 -10.605 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.203 -8.704 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.674 -8.735 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.762 -7.071 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.377 -6.956 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.254 -6.239 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.637 -6.351 1.390 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.004 -4.372 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.189 -5.564 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.654 -4.078 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.615 -2.472 -0.858 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.211 -2.344 -1.607 1.00 0.00 H new ATOM 660 N VAL A 42 -15.415 -9.674 -2.699 1.00 0.00 N ATOM 661 CA VAL A 42 -16.083 -9.431 -3.979 1.00 0.00 C ATOM 662 C VAL A 42 -17.408 -8.710 -3.732 1.00 0.00 C ATOM 663 O VAL A 42 -18.223 -9.154 -2.923 1.00 0.00 O ATOM 664 CB VAL A 42 -16.332 -10.764 -4.692 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.194 -10.534 -5.936 1.00 0.00 C ATOM 666 CG2 VAL A 42 -14.991 -11.381 -5.104 1.00 0.00 C ATOM 0 H VAL A 42 -15.997 -10.136 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.449 -8.807 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.853 -11.442 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.368 -11.485 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.149 -10.099 -5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.679 -9.853 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.167 -12.329 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.469 -10.701 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.381 -11.552 -4.217 1.00 0.00 H new ATOM 676 N ALA A 43 -17.616 -7.593 -4.429 1.00 0.00 N ATOM 677 CA ALA A 43 -18.846 -6.815 -4.270 1.00 0.00 C ATOM 678 C ALA A 43 -19.889 -7.243 -5.316 1.00 0.00 C ATOM 679 O ALA A 43 -19.702 -6.982 -6.502 1.00 0.00 O ATOM 680 CB ALA A 43 -18.529 -5.331 -4.463 1.00 0.00 C ATOM 0 H ALA A 43 -16.955 -7.208 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.249 -6.990 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.441 -4.746 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -17.797 -5.015 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.122 -5.173 -5.462 1.00 0.00 H new ATOM 686 N PRO A 44 -20.971 -7.890 -4.924 1.00 0.00 N ATOM 687 CA PRO A 44 -22.015 -8.337 -5.893 1.00 0.00 C ATOM 688 C PRO A 44 -22.902 -7.184 -6.373 1.00 0.00 C ATOM 689 O PRO A 44 -23.663 -7.332 -7.329 1.00 0.00 O ATOM 690 CB PRO A 44 -22.810 -9.388 -5.108 1.00 0.00 C ATOM 691 CG PRO A 44 -22.680 -8.982 -3.674 1.00 0.00 C ATOM 692 CD PRO A 44 -21.328 -8.266 -3.537 1.00 0.00 C ATOM 0 HA PRO A 44 -21.584 -8.735 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.854 -9.406 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.411 -10.389 -5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.498 -8.323 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.724 -9.853 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.406 -7.389 -2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.575 -8.919 -3.095 1.00 0.00 H new ATOM 700 N LEU A 45 -22.807 -6.044 -5.695 1.00 0.00 N ATOM 701 CA LEU A 45 -23.614 -4.878 -6.051 1.00 0.00 C ATOM 702 C LEU A 45 -23.364 -4.462 -7.500 1.00 0.00 C ATOM 703 O LEU A 45 -24.257 -3.936 -8.162 1.00 0.00 O ATOM 704 CB LEU A 45 -23.282 -3.715 -5.108 1.00 0.00 C ATOM 705 CG LEU A 45 -24.149 -2.487 -5.432 1.00 0.00 C ATOM 706 CD1 LEU A 45 -25.641 -2.824 -5.268 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.771 -1.351 -4.474 1.00 0.00 C ATOM 0 H LEU A 45 -22.184 -5.901 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.667 -5.141 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.447 -4.020 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.227 -3.456 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.974 -2.184 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.241 -1.944 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.908 -3.635 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.834 -3.132 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.379 -0.473 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.948 -1.668 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -22.717 -1.103 -4.601 1.00 0.00 H new ATOM 719 N GLY A 46 -22.149 -4.704 -7.989 1.00 0.00 N ATOM 720 CA GLY A 46 -21.791 -4.357 -9.369 1.00 0.00 C ATOM 721 C GLY A 46 -20.600 -3.405 -9.408 1.00 0.00 C ATOM 722 O GLY A 46 -20.477 -2.586 -10.318 1.00 0.00 O ATOM 0 H GLY A 46 -21.396 -5.137 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.553 -5.264 -9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.645 -3.895 -9.864 1.00 0.00 H new ATOM 726 N ASP A 47 -19.720 -3.524 -8.415 1.00 0.00 N ATOM 727 CA ASP A 47 -18.526 -2.676 -8.337 1.00 0.00 C ATOM 728 C ASP A 47 -17.320 -3.443 -8.888 1.00 0.00 C ATOM 729 O ASP A 47 -17.458 -4.592 -9.310 1.00 0.00 O ATOM 730 CB ASP A 47 -18.267 -2.255 -6.868 1.00 0.00 C ATOM 731 CG ASP A 47 -19.524 -2.457 -6.024 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.046 -3.560 -6.033 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.943 -1.510 -5.381 1.00 0.00 O ATOM 0 H ASP A 47 -19.809 -4.197 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.682 -1.777 -8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.446 -2.841 -6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.962 -1.209 -6.832 1.00 0.00 H new ATOM 738 N PRO A 48 -16.151 -2.852 -8.886 1.00 0.00 N ATOM 739 CA PRO A 48 -14.927 -3.533 -9.394 1.00 0.00 C ATOM 740 C PRO A 48 -14.551 -4.732 -8.528 1.00 0.00 C ATOM 741 O PRO A 48 -15.295 -5.123 -7.628 1.00 0.00 O ATOM 742 CB PRO A 48 -13.831 -2.447 -9.352 1.00 0.00 C ATOM 743 CG PRO A 48 -14.554 -1.149 -9.138 1.00 0.00 C ATOM 744 CD PRO A 48 -15.857 -1.491 -8.416 1.00 0.00 C ATOM 0 HA PRO A 48 -15.072 -3.935 -10.397 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.122 -2.638 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.261 -2.429 -10.281 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.951 -0.462 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.755 -0.656 -10.089 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -15.739 -1.455 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.655 -0.795 -8.673 1.00 0.00 H new ATOM 752 N ILE A 49 -13.394 -5.316 -8.820 1.00 0.00 N ATOM 753 CA ILE A 49 -12.909 -6.482 -8.084 1.00 0.00 C ATOM 754 C ILE A 49 -11.777 -6.070 -7.153 1.00 0.00 C ATOM 755 O ILE A 49 -10.706 -5.666 -7.609 1.00 0.00 O ATOM 756 CB ILE A 49 -12.399 -7.529 -9.090 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.361 -7.594 -10.285 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.290 -8.915 -8.433 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.778 -7.953 -9.816 1.00 0.00 C ATOM 0 H ILE A 49 -12.771 -5.001 -9.564 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.719 -6.905 -7.489 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.406 -7.234 -9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.375 -6.634 -10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.010 -8.336 -11.002 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.928 -9.637 -9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.594 -8.867 -7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.271 -9.225 -8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.446 -7.995 -10.676 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.762 -8.924 -9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.133 -7.195 -9.117 1.00 0.00 H new ATOM 771 N HIS A 50 -12.014 -6.174 -5.848 1.00 0.00 N ATOM 772 CA HIS A 50 -10.997 -5.802 -4.869 1.00 0.00 C ATOM 773 C HIS A 50 -10.126 -7.002 -4.542 1.00 0.00 C ATOM 774 O HIS A 50 -10.607 -8.003 -4.009 1.00 0.00 O ATOM 775 CB HIS A 50 -11.649 -5.287 -3.582 1.00 0.00 C ATOM 776 CG HIS A 50 -12.429 -4.030 -3.873 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.728 -3.104 -2.886 1.00 0.00 N ATOM 778 CD2 HIS A 50 -12.972 -3.526 -5.032 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.418 -2.102 -3.462 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.594 -2.310 -4.768 1.00 0.00 N ATOM 0 H HIS A 50 -12.890 -6.509 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.384 -5.010 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.310 -6.049 -3.168 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.885 -5.086 -2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.923 -4.002 -6.000 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.784 -1.235 -2.932 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.080 -1.707 -5.431 1.00 0.00 H new ATOM 788 N ILE A 51 -8.837 -6.896 -4.862 1.00 0.00 N ATOM 789 CA ILE A 51 -7.892 -7.978 -4.594 1.00 0.00 C ATOM 790 C ILE A 51 -6.733 -7.465 -3.756 1.00 0.00 C ATOM 791 O ILE A 51 -6.341 -6.303 -3.871 1.00 0.00 O ATOM 792 CB ILE A 51 -7.368 -8.565 -5.913 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.675 -7.471 -6.738 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.538 -9.133 -6.716 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.019 -8.093 -7.973 1.00 0.00 C ATOM 0 H ILE A 51 -8.425 -6.075 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.408 -8.763 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.651 -9.356 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.401 -6.716 -7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.924 -6.965 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.168 -9.550 -7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.029 -9.916 -6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.252 -8.338 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.528 -7.314 -8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.281 -8.831 -7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.780 -8.578 -8.584 1.00 0.00 H new ATOM 807 N GLU A 52 -6.184 -8.340 -2.914 1.00 0.00 N ATOM 808 CA GLU A 52 -5.060 -7.964 -2.057 1.00 0.00 C ATOM 809 C GLU A 52 -3.912 -8.931 -2.260 1.00 0.00 C ATOM 810 O GLU A 52 -4.072 -10.141 -2.105 1.00 0.00 O ATOM 811 CB GLU A 52 -5.500 -7.965 -0.591 1.00 0.00 C ATOM 812 CG GLU A 52 -4.442 -7.283 0.281 1.00 0.00 C ATOM 813 CD GLU A 52 -3.216 -8.177 0.417 1.00 0.00 C ATOM 814 OE1 GLU A 52 -3.385 -9.386 0.418 1.00 0.00 O ATOM 815 OE2 GLU A 52 -2.124 -7.641 0.517 1.00 0.00 O ATOM 0 H GLU A 52 -6.496 -9.305 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.726 -6.961 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.454 -7.447 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.656 -8.989 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.157 -6.328 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.856 -7.068 1.266 1.00 0.00 H new ATOM 822 N THR A 53 -2.747 -8.391 -2.613 1.00 0.00 N ATOM 823 CA THR A 53 -1.572 -9.220 -2.842 1.00 0.00 C ATOM 824 C THR A 53 -0.588 -9.041 -1.702 1.00 0.00 C ATOM 825 O THR A 53 -0.348 -7.924 -1.241 1.00 0.00 O ATOM 826 CB THR A 53 -0.917 -8.823 -4.168 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.011 -7.752 -3.938 1.00 0.00 O ATOM 828 CG2 THR A 53 -1.998 -8.371 -5.166 1.00 0.00 C ATOM 0 H THR A 53 -2.595 -7.391 -2.745 1.00 0.00 H new ATOM 0 HA THR A 53 -1.870 -10.267 -2.890 1.00 0.00 H new ATOM 0 HB THR A 53 -0.382 -9.679 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.514 -6.935 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.528 -8.089 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.698 -9.189 -5.340 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.535 -7.515 -4.758 1.00 0.00 H new ATOM 836 N ARG A 54 -0.026 -10.154 -1.253 1.00 0.00 N ATOM 837 CA ARG A 54 0.930 -10.141 -0.154 1.00 0.00 C ATOM 838 C ARG A 54 1.847 -8.926 -0.246 1.00 0.00 C ATOM 839 O ARG A 54 2.239 -8.351 0.770 1.00 0.00 O ATOM 840 CB ARG A 54 1.764 -11.421 -0.190 1.00 0.00 C ATOM 841 CG ARG A 54 0.832 -12.634 -0.166 1.00 0.00 C ATOM 842 CD ARG A 54 1.664 -13.917 -0.152 1.00 0.00 C ATOM 843 NE ARG A 54 0.792 -15.086 -0.188 1.00 0.00 N ATOM 844 CZ ARG A 54 0.278 -15.599 0.926 1.00 0.00 C ATOM 845 NH1 ARG A 54 0.541 -15.050 2.081 1.00 0.00 N ATOM 846 NH2 ARG A 54 -0.494 -16.650 0.864 1.00 0.00 N ATOM 0 H ARG A 54 -0.216 -11.081 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 54 0.380 -10.085 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.382 -11.441 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.441 -11.451 0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.190 -12.595 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.179 -12.621 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.338 -13.931 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.286 -13.946 0.743 1.00 0.00 H new ATOM 0 HE ARG A 54 0.572 -15.518 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.141 -14.227 2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.146 -15.444 2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.703 -17.077 -0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.889 -17.044 1.718 1.00 0.00 H new ATOM 860 N ARG A 55 2.186 -8.546 -1.472 1.00 0.00 N ATOM 861 CA ARG A 55 3.061 -7.402 -1.690 1.00 0.00 C ATOM 862 C ARG A 55 2.334 -6.089 -1.394 1.00 0.00 C ATOM 863 O ARG A 55 2.851 -5.242 -0.665 1.00 0.00 O ATOM 864 CB ARG A 55 3.539 -7.386 -3.150 1.00 0.00 C ATOM 865 CG ARG A 55 4.503 -8.561 -3.429 1.00 0.00 C ATOM 866 CD ARG A 55 3.715 -9.799 -3.880 1.00 0.00 C ATOM 867 NE ARG A 55 4.619 -10.921 -4.102 1.00 0.00 N ATOM 868 CZ ARG A 55 5.232 -11.094 -5.269 1.00 0.00 C ATOM 869 NH1 ARG A 55 5.027 -10.252 -6.245 1.00 0.00 N ATOM 870 NH2 ARG A 55 6.037 -12.107 -5.437 1.00 0.00 N ATOM 0 H ARG A 55 1.871 -9.010 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 55 3.912 -7.495 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.680 -7.449 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.040 -6.441 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.220 -8.277 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.075 -8.793 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.976 -10.063 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.168 -9.577 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 55 4.784 -11.587 -3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.397 -9.461 -6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.497 -10.385 -7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.195 -12.765 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.508 -12.241 -6.332 1.00 0.00 H new ATOM 884 N VAL A 56 1.133 -5.933 -1.961 1.00 0.00 N ATOM 885 CA VAL A 56 0.342 -4.713 -1.763 1.00 0.00 C ATOM 886 C VAL A 56 -1.121 -4.943 -2.136 1.00 0.00 C ATOM 887 O VAL A 56 -1.516 -6.052 -2.499 1.00 0.00 O ATOM 888 CB VAL A 56 0.881 -3.574 -2.642 1.00 0.00 C ATOM 889 CG1 VAL A 56 2.242 -3.099 -2.131 1.00 0.00 C ATOM 890 CG2 VAL A 56 1.021 -4.074 -4.082 1.00 0.00 C ATOM 0 H VAL A 56 0.689 -6.631 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 56 0.417 -4.446 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 56 0.184 -2.737 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.608 -2.292 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.141 -2.738 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.949 -3.928 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.403 -3.270 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.713 -4.916 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.047 -4.393 -4.453 1.00 0.00 H new ATOM 900 N SER A 57 -1.916 -3.873 -2.051 1.00 0.00 N ATOM 901 CA SER A 57 -3.340 -3.939 -2.389 1.00 0.00 C ATOM 902 C SER A 57 -3.589 -3.398 -3.795 1.00 0.00 C ATOM 903 O SER A 57 -2.916 -2.467 -4.241 1.00 0.00 O ATOM 904 CB SER A 57 -4.150 -3.124 -1.382 1.00 0.00 C ATOM 905 OG SER A 57 -3.680 -3.400 -0.069 1.00 0.00 O ATOM 0 H SER A 57 -1.598 -2.951 -1.751 1.00 0.00 H new ATOM 0 HA SER A 57 -3.652 -4.983 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.056 -2.060 -1.598 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.208 -3.373 -1.462 1.00 0.00 H new ATOM 0 HG SER A 57 -4.196 -2.878 0.580 1.00 0.00 H new ATOM 911 N LEU A 58 -4.563 -3.985 -4.488 1.00 0.00 N ATOM 912 CA LEU A 58 -4.901 -3.557 -5.844 1.00 0.00 C ATOM 913 C LEU A 58 -6.361 -3.882 -6.156 1.00 0.00 C ATOM 914 O LEU A 58 -6.886 -4.903 -5.715 1.00 0.00 O ATOM 915 CB LEU A 58 -3.982 -4.260 -6.855 1.00 0.00 C ATOM 916 CG LEU A 58 -4.300 -3.799 -8.287 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.058 -2.287 -8.433 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.403 -4.561 -9.271 1.00 0.00 C ATOM 0 H LEU A 58 -5.130 -4.756 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.760 -2.479 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.940 -4.042 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.107 -5.340 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.348 -4.005 -8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.288 -1.978 -9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.700 -1.747 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.014 -2.063 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.623 -4.239 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.357 -4.355 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.590 -5.631 -9.181 1.00 0.00 H new ATOM 930 N VAL A 59 -7.012 -3.011 -6.927 1.00 0.00 N ATOM 931 CA VAL A 59 -8.413 -3.220 -7.311 1.00 0.00 C ATOM 932 C VAL A 59 -8.561 -3.033 -8.820 1.00 0.00 C ATOM 933 O VAL A 59 -8.119 -2.025 -9.370 1.00 0.00 O ATOM 934 CB VAL A 59 -9.319 -2.226 -6.574 1.00 0.00 C ATOM 935 CG1 VAL A 59 -8.810 -0.799 -6.787 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.752 -2.339 -7.106 1.00 0.00 C ATOM 0 H VAL A 59 -6.596 -2.157 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.709 -4.233 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.306 -2.458 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.459 -0.099 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.794 -0.713 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.814 -0.567 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.392 -1.631 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.763 -2.115 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.121 -3.352 -6.945 1.00 0.00 H new ATOM 946 N LEU A 60 -9.178 -4.010 -9.486 1.00 0.00 N ATOM 947 CA LEU A 60 -9.370 -3.944 -10.939 1.00 0.00 C ATOM 948 C LEU A 60 -10.777 -4.396 -11.313 1.00 0.00 C ATOM 949 O LEU A 60 -11.487 -4.986 -10.500 1.00 0.00 O ATOM 950 CB LEU A 60 -8.354 -4.839 -11.653 1.00 0.00 C ATOM 951 CG LEU A 60 -6.923 -4.399 -11.334 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.945 -5.464 -11.841 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.609 -3.056 -12.016 1.00 0.00 C ATOM 0 H LEU A 60 -9.552 -4.852 -9.048 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.227 -2.909 -11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.497 -5.875 -11.347 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.520 -4.799 -12.729 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.821 -4.279 -10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.924 -5.156 -11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.154 -6.414 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.060 -5.581 -12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.588 -2.758 -11.779 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.715 -3.163 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.302 -2.295 -11.657 1.00 0.00 H new ATOM 965 N ARG A 61 -11.171 -4.117 -12.551 1.00 0.00 N ATOM 966 CA ARG A 61 -12.497 -4.496 -13.032 1.00 0.00 C ATOM 967 C ARG A 61 -12.515 -5.954 -13.485 1.00 0.00 C ATOM 968 O ARG A 61 -11.471 -6.545 -13.759 1.00 0.00 O ATOM 969 CB ARG A 61 -12.904 -3.590 -14.199 1.00 0.00 C ATOM 970 CG ARG A 61 -12.998 -2.125 -13.734 1.00 0.00 C ATOM 971 CD ARG A 61 -14.381 -1.846 -13.131 1.00 0.00 C ATOM 972 NE ARG A 61 -15.413 -2.026 -14.146 1.00 0.00 N ATOM 973 CZ ARG A 61 -16.700 -1.847 -13.864 1.00 0.00 C ATOM 974 NH1 ARG A 61 -17.063 -1.501 -12.659 1.00 0.00 N ATOM 975 NH2 ARG A 61 -17.601 -2.018 -14.793 1.00 0.00 N ATOM 0 H ARG A 61 -10.594 -3.632 -13.238 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.206 -4.379 -12.212 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.176 -3.676 -15.006 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.864 -3.913 -14.601 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.223 -1.920 -12.995 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.819 -1.457 -14.576 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.563 -2.518 -12.292 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.418 -0.829 -12.739 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.142 -2.295 -15.092 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.359 -1.368 -11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.050 -1.364 -12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.318 -2.289 -15.735 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.588 -1.881 -14.577 1.00 0.00 H new ATOM 989 N LYS A 62 -13.715 -6.526 -13.563 1.00 0.00 N ATOM 990 CA LYS A 62 -13.869 -7.915 -13.983 1.00 0.00 C ATOM 991 C LYS A 62 -13.258 -8.133 -15.365 1.00 0.00 C ATOM 992 O LYS A 62 -12.700 -9.195 -15.648 1.00 0.00 O ATOM 993 CB LYS A 62 -15.357 -8.289 -14.003 1.00 0.00 C ATOM 994 CG LYS A 62 -16.127 -7.295 -14.879 1.00 0.00 C ATOM 995 CD LYS A 62 -17.606 -7.701 -14.963 1.00 0.00 C ATOM 996 CE LYS A 62 -18.326 -7.374 -13.649 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.800 -7.420 -13.868 1.00 0.00 N ATOM 0 H LYS A 62 -14.590 -6.051 -13.342 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.345 -8.553 -13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.482 -9.301 -14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.758 -8.282 -12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.041 -6.290 -14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.692 -7.266 -15.878 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.087 -7.177 -15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.685 -8.768 -15.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.039 -8.088 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.030 -6.386 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.290 -7.198 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -20.065 -6.722 -14.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -20.074 -8.371 -14.187 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.357 -7.120 -16.217 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.803 -7.212 -17.560 1.00 0.00 C ATOM 1013 C LYS A 63 -11.291 -7.390 -17.492 1.00 0.00 C ATOM 1014 O LYS A 63 -10.711 -8.165 -18.252 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.137 -5.949 -18.355 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.639 -5.896 -18.616 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.966 -4.642 -19.423 1.00 0.00 C ATOM 1018 CE LYS A 63 -16.465 -4.605 -19.696 1.00 0.00 C ATOM 1019 NZ LYS A 63 -16.797 -3.390 -20.492 1.00 0.00 N ATOM 0 H LYS A 63 -13.812 -6.232 -16.004 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.242 -8.075 -18.060 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.822 -5.064 -17.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.592 -5.946 -19.299 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.957 -6.786 -19.160 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.184 -5.887 -17.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.661 -3.751 -18.874 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.412 -4.643 -20.362 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.769 -5.501 -20.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.016 -4.598 -18.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.820 -3.366 -20.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.521 -2.540 -19.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.282 -3.415 -21.395 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.662 -6.664 -16.576 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.218 -6.744 -16.413 1.00 0.00 C ATOM 1035 C ASP A 64 -8.793 -8.159 -16.033 1.00 0.00 C ATOM 1036 O ASP A 64 -7.842 -8.699 -16.592 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.766 -5.784 -15.324 1.00 0.00 C ATOM 1038 CG ASP A 64 -7.246 -5.661 -15.334 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -6.597 -6.616 -15.730 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -6.753 -4.613 -14.953 1.00 0.00 O ATOM 0 H ASP A 64 -11.127 -6.017 -15.939 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.755 -6.476 -17.362 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.219 -4.805 -15.480 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.104 -6.140 -14.351 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.504 -8.754 -15.077 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.182 -10.106 -14.635 1.00 0.00 C ATOM 1047 C LEU A 65 -9.340 -11.088 -15.791 1.00 0.00 C ATOM 1048 O LEU A 65 -8.503 -11.972 -15.982 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.102 -10.511 -13.465 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.503 -10.050 -12.129 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.266 -8.543 -12.162 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.470 -10.384 -11.003 1.00 0.00 C ATOM 0 H LEU A 65 -10.297 -8.326 -14.599 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.147 -10.129 -14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.089 -10.069 -13.600 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.236 -11.593 -13.457 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.554 -10.560 -11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.841 -8.221 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.575 -8.301 -12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.213 -8.029 -12.329 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.048 -10.058 -10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.418 -9.873 -11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.638 -11.461 -10.975 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.405 -10.926 -16.565 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.634 -11.810 -17.699 1.00 0.00 C ATOM 1066 C ALA A 66 -9.468 -11.717 -18.680 1.00 0.00 C ATOM 1067 O ALA A 66 -8.915 -12.731 -19.105 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.932 -11.421 -18.412 1.00 0.00 C ATOM 0 H ALA A 66 -11.113 -10.204 -16.432 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.715 -12.834 -17.333 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.096 -12.087 -19.259 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.768 -11.505 -17.717 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.858 -10.393 -18.768 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.105 -10.488 -19.033 1.00 0.00 N ATOM 1075 CA LEU A 67 -8.007 -10.255 -19.966 1.00 0.00 C ATOM 1076 C LEU A 67 -6.662 -10.633 -19.352 1.00 0.00 C ATOM 1077 O LEU A 67 -5.810 -11.214 -20.020 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.972 -8.782 -20.377 1.00 0.00 C ATOM 1079 CG LEU A 67 -9.215 -8.433 -21.208 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.253 -6.917 -21.425 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -9.178 -9.155 -22.570 1.00 0.00 C ATOM 0 H LEU A 67 -9.554 -9.639 -18.688 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.179 -10.883 -20.840 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.930 -8.150 -19.490 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.071 -8.580 -20.955 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.108 -8.758 -20.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.132 -6.656 -22.014 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.300 -6.412 -20.460 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.354 -6.603 -21.955 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.067 -8.895 -23.144 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.288 -8.848 -23.120 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.152 -10.233 -22.410 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.465 -10.291 -18.084 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.203 -10.592 -17.419 1.00 0.00 C ATOM 1095 C LEU A 68 -4.968 -12.098 -17.407 1.00 0.00 C ATOM 1096 O LEU A 68 -5.864 -12.872 -17.066 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.229 -10.058 -15.978 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.811 -10.073 -15.368 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.054 -8.790 -15.747 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.905 -10.167 -13.839 1.00 0.00 C ATOM 0 H LEU A 68 -7.152 -9.812 -17.502 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.392 -10.109 -17.964 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.625 -9.042 -15.968 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.899 -10.667 -15.371 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.273 -10.937 -15.759 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.056 -8.814 -15.310 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.974 -8.722 -16.832 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.595 -7.923 -15.368 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.902 -10.177 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.454 -9.307 -13.455 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.426 -11.083 -13.562 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.764 -12.514 -17.791 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.448 -13.937 -17.826 1.00 0.00 C ATOM 1114 C GLU A 69 -3.241 -14.472 -16.412 1.00 0.00 C ATOM 1115 O GLU A 69 -2.263 -14.135 -15.743 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.187 -14.180 -18.661 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.449 -13.775 -20.113 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.175 -13.933 -20.935 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.179 -14.358 -20.373 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.212 -13.625 -22.115 1.00 0.00 O ATOM 0 H GLU A 69 -3.004 -11.897 -18.078 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.285 -14.464 -18.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.354 -13.605 -18.257 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.902 -15.231 -18.611 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.242 -14.392 -20.534 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.793 -12.742 -20.155 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.174 -15.309 -15.961 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.101 -15.899 -14.623 1.00 0.00 C ATOM 1129 C VAL A 70 -4.469 -17.373 -14.662 1.00 0.00 C ATOM 1130 O VAL A 70 -5.088 -17.848 -15.615 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.050 -15.170 -13.667 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.530 -13.756 -13.394 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.443 -15.087 -14.301 1.00 0.00 C ATOM 0 H VAL A 70 -4.990 -15.595 -16.502 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.075 -15.797 -14.268 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.105 -15.719 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.210 -13.243 -12.713 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.540 -13.813 -12.943 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.470 -13.203 -14.331 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.121 -14.569 -13.623 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.382 -14.540 -15.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.817 -16.093 -14.490 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.094 -18.092 -13.609 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.396 -19.519 -13.514 1.00 0.00 C ATOM 1145 C GLU A 71 -4.827 -19.875 -12.099 1.00 0.00 C ATOM 1146 O GLU A 71 -4.131 -19.571 -11.130 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.166 -20.346 -13.894 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.888 -20.188 -15.389 1.00 0.00 C ATOM 1149 CD GLU A 71 -1.591 -20.901 -15.756 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -0.991 -21.489 -14.871 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -1.216 -20.846 -16.916 1.00 0.00 O ATOM 0 H GLU A 71 -3.583 -17.714 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.209 -19.745 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.302 -20.019 -13.316 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.332 -21.396 -13.653 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.715 -20.600 -15.967 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.816 -19.131 -15.644 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.977 -20.527 -11.989 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.483 -20.924 -10.686 1.00 0.00 C ATOM 1160 C ALA A 72 -5.690 -22.114 -10.164 1.00 0.00 C ATOM 1161 O ALA A 72 -5.578 -23.140 -10.836 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.964 -21.298 -10.789 1.00 0.00 C ATOM 0 H ALA A 72 -6.569 -20.789 -12.777 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.374 -20.087 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.334 -21.594 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.532 -20.439 -11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.082 -22.127 -11.486 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.138 -21.971 -8.961 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.349 -23.039 -8.344 1.00 0.00 C ATOM 1170 C VAL A 73 -4.937 -23.407 -6.988 1.00 0.00 C ATOM 1171 O VAL A 73 -5.213 -22.535 -6.164 1.00 0.00 O ATOM 1172 CB VAL A 73 -2.899 -22.581 -8.162 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.164 -22.655 -9.499 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.886 -21.137 -7.656 1.00 0.00 C ATOM 0 H VAL A 73 -5.221 -21.128 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.373 -23.912 -8.996 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.402 -23.229 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.133 -22.328 -9.366 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.175 -23.682 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.659 -22.007 -10.223 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.856 -20.807 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.384 -20.493 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.409 -21.081 -6.701 1.00 0.00 H new ATOM 1184 N SER A 74 -5.126 -24.702 -6.759 1.00 0.00 N ATOM 1185 CA SER A 74 -5.681 -25.167 -5.493 1.00 0.00 C ATOM 1186 C SER A 74 -4.569 -25.390 -4.471 1.00 0.00 C ATOM 1187 O SER A 74 -4.836 -25.630 -3.293 1.00 0.00 O ATOM 1188 CB SER A 74 -6.458 -26.469 -5.710 1.00 0.00 C ATOM 1189 OG SER A 74 -7.712 -26.170 -6.311 1.00 0.00 O ATOM 0 H SER A 74 -4.906 -25.442 -7.426 1.00 0.00 H new ATOM 0 HA SER A 74 -6.359 -24.404 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.888 -27.145 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.609 -26.979 -4.759 1.00 0.00 H new ATOM 0 HG SER A 74 -8.213 -27.000 -6.454 1.00 0.00 H new ATOM 1195 N SER A 75 -3.326 -25.307 -4.928 1.00 0.00 N ATOM 1196 CA SER A 75 -2.185 -25.501 -4.042 1.00 0.00 C ATOM 1197 C SER A 75 -1.994 -24.283 -3.143 1.00 0.00 C ATOM 1198 O SER A 75 -2.428 -23.179 -3.476 1.00 0.00 O ATOM 1199 CB SER A 75 -0.920 -25.732 -4.867 1.00 0.00 C ATOM 1200 OG SER A 75 -0.797 -24.698 -5.836 1.00 0.00 O ATOM 0 H SER A 75 -3.083 -25.108 -5.899 1.00 0.00 H new ATOM 0 HA SER A 75 -2.376 -26.374 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.045 -25.743 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.965 -26.704 -5.359 1.00 0.00 H new ATOM 0 HG SER A 75 0.014 -24.842 -6.366 1.00 0.00 H new ATOM 1206 N LEU A 76 -1.342 -24.489 -2.004 1.00 0.00 N ATOM 1207 CA LEU A 76 -1.099 -23.397 -1.066 1.00 0.00 C ATOM 1208 C LEU A 76 -0.020 -23.792 -0.063 1.00 0.00 C ATOM 1209 O LEU A 76 -0.237 -23.742 1.147 1.00 0.00 O ATOM 1210 CB LEU A 76 -2.390 -23.049 -0.311 1.00 0.00 C ATOM 1211 CG LEU A 76 -2.278 -21.644 0.319 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -2.684 -20.573 -0.701 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.202 -21.546 1.539 1.00 0.00 C ATOM 0 H LEU A 76 -0.975 -25.394 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.765 -22.527 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.239 -23.083 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.576 -23.790 0.466 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.244 -21.481 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.601 -19.586 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.026 -20.629 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.714 -20.742 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.119 -20.552 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.233 -21.721 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.912 -22.295 2.276 1.00 0.00 H new ATOM 1225 N GLU A 77 1.140 -24.189 -0.576 1.00 0.00 N ATOM 1226 CA GLU A 77 2.247 -24.593 0.285 1.00 0.00 C ATOM 1227 C GLU A 77 3.584 -24.330 -0.401 1.00 0.00 C ATOM 1228 O GLU A 77 3.746 -24.601 -1.591 1.00 0.00 O ATOM 1229 CB GLU A 77 2.121 -26.080 0.629 1.00 0.00 C ATOM 1230 CG GLU A 77 2.137 -26.911 -0.658 1.00 0.00 C ATOM 1231 CD GLU A 77 1.894 -28.381 -0.331 1.00 0.00 C ATOM 1232 OE1 GLU A 77 1.042 -28.649 0.499 1.00 0.00 O ATOM 1233 OE2 GLU A 77 2.561 -29.217 -0.919 1.00 0.00 O ATOM 0 H GLU A 77 1.338 -24.240 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 77 2.207 -24.006 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.941 -26.383 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.196 -26.259 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.370 -26.550 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.096 -26.796 -1.164 1.00 0.00 H new ATOM 1240 N HIS A 78 4.538 -23.797 0.357 1.00 0.00 N ATOM 1241 CA HIS A 78 5.859 -23.498 -0.187 1.00 0.00 C ATOM 1242 C HIS A 78 6.897 -23.462 0.931 1.00 0.00 C ATOM 1243 O HIS A 78 6.566 -23.199 2.087 1.00 0.00 O ATOM 1244 CB HIS A 78 5.832 -22.148 -0.905 1.00 0.00 C ATOM 1245 CG HIS A 78 5.431 -21.070 0.065 1.00 0.00 C ATOM 1246 ND1 HIS A 78 4.133 -20.943 0.535 1.00 0.00 N ATOM 1247 CD2 HIS A 78 6.147 -20.061 0.661 1.00 0.00 C ATOM 1248 CE1 HIS A 78 4.107 -19.893 1.375 1.00 0.00 C ATOM 1249 NE2 HIS A 78 5.308 -19.318 1.488 1.00 0.00 N ATOM 0 H HIS A 78 4.423 -23.564 1.343 1.00 0.00 H new ATOM 0 HA HIS A 78 6.129 -24.280 -0.896 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.814 -21.928 -1.324 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.130 -22.181 -1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.200 -19.872 0.511 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.223 -19.555 1.895 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.557 -18.509 2.057 1.00 0.00 H new ATOM 1257 N HIS A 79 8.154 -23.725 0.577 1.00 0.00 N ATOM 1258 CA HIS A 79 9.237 -23.719 1.561 1.00 0.00 C ATOM 1259 C HIS A 79 8.781 -24.350 2.874 1.00 0.00 C ATOM 1260 O HIS A 79 9.313 -24.040 3.941 1.00 0.00 O ATOM 1261 CB HIS A 79 9.700 -22.284 1.818 1.00 0.00 C ATOM 1262 CG HIS A 79 10.346 -21.735 0.575 1.00 0.00 C ATOM 1263 ND1 HIS A 79 9.626 -21.056 -0.394 1.00 0.00 N ATOM 1264 CD2 HIS A 79 11.645 -21.757 0.130 1.00 0.00 C ATOM 1265 CE1 HIS A 79 10.486 -20.699 -1.365 1.00 0.00 C ATOM 1266 NE2 HIS A 79 11.730 -21.102 -1.095 1.00 0.00 N ATOM 0 H HIS A 79 8.447 -23.943 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 79 10.065 -24.305 1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.852 -21.663 2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.406 -22.262 2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.474 -22.213 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.205 -20.153 -2.254 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.564 -20.960 -1.665 1.00 0.00 H new ATOM 1274 N HIS A 80 7.792 -25.232 2.787 1.00 0.00 N ATOM 1275 CA HIS A 80 7.266 -25.898 3.973 1.00 0.00 C ATOM 1276 C HIS A 80 8.369 -26.679 4.679 1.00 0.00 C ATOM 1277 O HIS A 80 8.497 -26.621 5.902 1.00 0.00 O ATOM 1278 CB HIS A 80 6.134 -26.849 3.578 1.00 0.00 C ATOM 1279 CG HIS A 80 5.568 -27.496 4.811 1.00 0.00 C ATOM 1280 ND1 HIS A 80 4.891 -26.772 5.781 1.00 0.00 N ATOM 1281 CD2 HIS A 80 5.569 -28.797 5.247 1.00 0.00 C ATOM 1282 CE1 HIS A 80 4.514 -27.637 6.742 1.00 0.00 C ATOM 1283 NE2 HIS A 80 4.903 -28.884 6.466 1.00 0.00 N ATOM 0 H HIS A 80 7.340 -25.502 1.913 1.00 0.00 H new ATOM 0 HA HIS A 80 6.880 -25.140 4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.353 -26.302 3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.507 -27.611 2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.019 -29.628 4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.964 -27.356 7.628 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.746 -29.721 7.028 1.00 0.00 H new ATOM 1291 N HIS A 81 9.166 -27.406 3.901 1.00 0.00 N ATOM 1292 CA HIS A 81 10.262 -28.193 4.461 1.00 0.00 C ATOM 1293 C HIS A 81 11.530 -27.351 4.554 1.00 0.00 C ATOM 1294 O HIS A 81 11.874 -26.624 3.621 1.00 0.00 O ATOM 1295 CB HIS A 81 10.525 -29.418 3.583 1.00 0.00 C ATOM 1296 CG HIS A 81 9.349 -30.352 3.662 1.00 0.00 C ATOM 1297 ND1 HIS A 81 8.258 -30.241 2.815 1.00 0.00 N ATOM 1298 CD2 HIS A 81 9.076 -31.417 4.486 1.00 0.00 C ATOM 1299 CE1 HIS A 81 7.387 -31.213 3.144 1.00 0.00 C ATOM 1300 NE2 HIS A 81 7.838 -31.958 4.157 1.00 0.00 N ATOM 0 H HIS A 81 9.075 -27.467 2.887 1.00 0.00 H new ATOM 0 HA HIS A 81 9.979 -28.517 5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.690 -29.110 2.550 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.431 -29.927 3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.724 -31.779 5.270 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.440 -31.371 2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.374 -32.753 4.595 1.00 0.00 H new ATOM 1308 N HIS A 82 12.219 -27.451 5.685 1.00 0.00 N ATOM 1309 CA HIS A 82 13.448 -26.692 5.891 1.00 0.00 C ATOM 1310 C HIS A 82 14.533 -27.158 4.926 1.00 0.00 C ATOM 1311 O HIS A 82 15.290 -26.347 4.391 1.00 0.00 O ATOM 1312 CB HIS A 82 13.934 -26.863 7.330 1.00 0.00 C ATOM 1313 CG HIS A 82 12.983 -26.169 8.266 1.00 0.00 C ATOM 1314 ND1 HIS A 82 12.888 -24.788 8.333 1.00 0.00 N ATOM 1315 CD2 HIS A 82 12.080 -26.652 9.182 1.00 0.00 C ATOM 1316 CE1 HIS A 82 11.958 -24.490 9.258 1.00 0.00 C ATOM 1317 NE2 HIS A 82 11.434 -25.589 9.806 1.00 0.00 N ATOM 0 H HIS A 82 11.950 -28.046 6.469 1.00 0.00 H new ATOM 0 HA HIS A 82 13.238 -25.639 5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 82 13.999 -27.922 7.580 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.936 -26.448 7.439 1.00 0.00 H new ATOM 0 HD2 HIS A 82 11.899 -27.697 9.387 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.670 -23.484 9.525 1.00 0.00 H new ATOM 0 HE2 HIS A 82 10.715 -25.639 10.527 1.00 0.00 H new ATOM 1325 N HIS A 83 14.604 -28.469 4.706 1.00 0.00 N ATOM 1326 CA HIS A 83 15.601 -29.043 3.801 1.00 0.00 C ATOM 1327 C HIS A 83 14.987 -30.169 2.976 1.00 0.00 C ATOM 1328 O HIS A 83 14.175 -29.871 2.115 1.00 0.00 O ATOM 1329 CB HIS A 83 16.782 -29.589 4.606 1.00 0.00 C ATOM 1330 CG HIS A 83 17.428 -28.467 5.371 1.00 0.00 C ATOM 1331 ND1 HIS A 83 18.206 -27.502 4.753 1.00 0.00 N ATOM 1332 CD2 HIS A 83 17.422 -28.145 6.706 1.00 0.00 C ATOM 1333 CE1 HIS A 83 18.633 -26.653 5.705 1.00 0.00 C ATOM 1334 NE2 HIS A 83 18.183 -26.999 6.914 1.00 0.00 N ATOM 1335 OXT HIS A 83 15.337 -31.313 3.216 1.00 0.00 O ATOM 0 H HIS A 83 13.985 -29.154 5.140 1.00 0.00 H new ATOM 0 HA HIS A 83 15.949 -28.259 3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 83 16.441 -30.363 5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 83 17.508 -30.053 3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 83 16.905 -28.697 7.477 1.00 0.00 H new ATOM 0 HE1 HIS A 83 19.263 -25.796 5.515 1.00 0.00 H new ATOM 0 HE2 HIS A 83 18.359 -26.525 7.800 1.00 0.00 H new TER 1343 HIS A 83