USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 548 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 17 CYS SG : rot 180:sc= 0.0358 USER MOD Set 1.2: A 66 TYR OH : rot -14:sc= -0.145 USER MOD Set 2.1: A 4 THR OG1 : rot -117:sc= 0.542! USER MOD Set 2.2: A 46 THR OG1 : rot -160:sc= 0.66 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -1.32 K(o=-1.3,f=-6.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 12 MET CE :methyl 148:sc= -21.6! (180deg=-22.4!) USER MOD Single : A 13 THR OG1 : rot -54:sc= 0.914 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.68 USER MOD Single : A 20 THR OG1 : rot 56:sc= -1.39! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.117) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.116 (180deg=-0.482) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0181 F(o=-1,f=-0.018) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 121:sc= -1.91! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -130:sc= -2.89! USER MOD Single : A 68 SER OG : rot -72:sc= -4.13! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.635 1.348 1.023 1.00 0.00 N ATOM 2 CA ALA A 1 17.335 1.165 0.310 1.00 0.00 C ATOM 3 C ALA A 1 16.186 1.101 1.318 1.00 0.00 C ATOM 4 O ALA A 1 15.800 0.044 1.759 1.00 0.00 O ATOM 5 CB ALA A 1 17.467 -0.165 -0.436 1.00 0.00 C ATOM 0 H1 ALA A 1 19.409 1.390 0.329 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.610 2.233 1.568 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.792 0.548 1.669 1.00 0.00 H new ATOM 0 HA ALA A 1 17.120 1.990 -0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.547 -0.367 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.302 -0.109 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.646 -0.967 0.280 1.00 0.00 H new ATOM 13 N THR A 2 15.635 2.230 1.669 1.00 0.00 N ATOM 14 CA THR A 2 14.518 2.278 2.631 1.00 0.00 C ATOM 15 C THR A 2 13.627 3.447 2.234 1.00 0.00 C ATOM 16 O THR A 2 13.833 4.571 2.644 1.00 0.00 O ATOM 17 CB THR A 2 15.171 2.535 3.984 1.00 0.00 C ATOM 18 OG1 THR A 2 16.524 2.929 3.796 1.00 0.00 O ATOM 19 CG2 THR A 2 15.119 1.262 4.827 1.00 0.00 C ATOM 0 H THR A 2 15.926 3.141 1.315 1.00 0.00 H new ATOM 0 HA THR A 2 13.915 1.370 2.656 1.00 0.00 H new ATOM 0 HB THR A 2 14.633 3.331 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.940 3.095 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.586 1.447 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.080 0.967 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.653 0.463 4.313 1.00 0.00 H new ATOM 27 N GLN A 3 12.673 3.198 1.398 1.00 0.00 N ATOM 28 CA GLN A 3 11.798 4.311 0.919 1.00 0.00 C ATOM 29 C GLN A 3 10.386 4.203 1.491 1.00 0.00 C ATOM 30 O GLN A 3 9.938 3.149 1.891 1.00 0.00 O ATOM 31 CB GLN A 3 11.757 4.171 -0.609 1.00 0.00 C ATOM 32 CG GLN A 3 13.116 3.699 -1.143 1.00 0.00 C ATOM 33 CD GLN A 3 14.156 4.802 -0.944 1.00 0.00 C ATOM 34 OE1 GLN A 3 14.580 5.060 0.165 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.586 5.469 -1.980 1.00 0.00 N ATOM 0 H GLN A 3 12.453 2.276 1.020 1.00 0.00 H new ATOM 0 HA GLN A 3 12.188 5.277 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.981 3.460 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.495 5.128 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.428 2.793 -0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 3 13.035 3.448 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.229 5.251 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.279 6.208 -1.859 1.00 0.00 H new ATOM 44 N THR A 4 9.680 5.300 1.514 1.00 0.00 N ATOM 45 CA THR A 4 8.289 5.295 2.041 1.00 0.00 C ATOM 46 C THR A 4 7.394 6.128 1.121 1.00 0.00 C ATOM 47 O THR A 4 7.800 7.152 0.608 1.00 0.00 O ATOM 48 CB THR A 4 8.388 5.941 3.424 1.00 0.00 C ATOM 49 OG1 THR A 4 9.252 5.167 4.244 1.00 0.00 O ATOM 50 CG2 THR A 4 6.999 6.011 4.062 1.00 0.00 C ATOM 0 H THR A 4 10.012 6.207 1.187 1.00 0.00 H new ATOM 0 HA THR A 4 7.861 4.294 2.094 1.00 0.00 H new ATOM 0 HB THR A 4 8.787 6.950 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.747 4.807 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.074 6.472 5.047 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.339 6.607 3.432 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.594 5.004 4.162 1.00 0.00 H new ATOM 58 N VAL A 5 6.183 5.699 0.901 1.00 0.00 N ATOM 59 CA VAL A 5 5.273 6.470 0.006 1.00 0.00 C ATOM 60 C VAL A 5 3.843 6.351 0.502 1.00 0.00 C ATOM 61 O VAL A 5 3.519 5.499 1.298 1.00 0.00 O ATOM 62 CB VAL A 5 5.413 5.809 -1.365 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.742 6.222 -1.998 1.00 0.00 C ATOM 64 CG2 VAL A 5 5.374 4.288 -1.206 1.00 0.00 C ATOM 0 H VAL A 5 5.784 4.850 1.301 1.00 0.00 H new ATOM 0 HA VAL A 5 5.521 7.531 -0.025 1.00 0.00 H new ATOM 0 HB VAL A 5 4.591 6.128 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.841 5.750 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.769 7.306 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.564 5.905 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.474 3.817 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.195 3.968 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.426 3.993 -0.757 1.00 0.00 H new ATOM 74 N THR A 6 2.980 7.180 0.018 1.00 0.00 N ATOM 75 CA THR A 6 1.566 7.096 0.438 1.00 0.00 C ATOM 76 C THR A 6 0.778 6.530 -0.733 1.00 0.00 C ATOM 77 O THR A 6 1.163 6.680 -1.874 1.00 0.00 O ATOM 78 CB THR A 6 1.142 8.530 0.758 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.127 8.516 1.396 1.00 0.00 O ATOM 80 CG2 THR A 6 1.055 9.339 -0.534 1.00 0.00 C ATOM 0 H THR A 6 3.192 7.917 -0.654 1.00 0.00 H new ATOM 0 HA THR A 6 1.400 6.457 1.305 1.00 0.00 H new ATOM 0 HB THR A 6 1.877 8.986 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.399 9.434 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.753 10.361 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.029 9.350 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.321 8.884 -1.199 1.00 0.00 H new ATOM 88 N LEU A 7 -0.298 5.862 -0.477 1.00 0.00 N ATOM 89 CA LEU A 7 -1.063 5.272 -1.603 1.00 0.00 C ATOM 90 C LEU A 7 -2.515 5.715 -1.555 1.00 0.00 C ATOM 91 O LEU A 7 -3.041 6.085 -0.524 1.00 0.00 O ATOM 92 CB LEU A 7 -0.960 3.751 -1.422 1.00 0.00 C ATOM 93 CG LEU A 7 -0.037 3.165 -2.490 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.255 3.967 -2.540 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.294 1.707 -2.151 1.00 0.00 C ATOM 0 H LEU A 7 -0.683 5.697 0.453 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.667 5.592 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.576 3.519 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.949 3.299 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.539 3.209 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.913 3.549 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.030 5.005 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.749 3.922 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.952 1.296 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.792 1.663 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.626 1.124 -2.113 1.00 0.00 H new ATOM 107 N ALA A 8 -3.158 5.672 -2.674 1.00 0.00 N ATOM 108 CA ALA A 8 -4.589 6.082 -2.733 1.00 0.00 C ATOM 109 C ALA A 8 -5.379 5.099 -3.596 1.00 0.00 C ATOM 110 O ALA A 8 -5.248 5.072 -4.803 1.00 0.00 O ATOM 111 CB ALA A 8 -4.582 7.472 -3.370 1.00 0.00 C ATOM 0 H ALA A 8 -2.758 5.369 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.057 6.092 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.604 7.842 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.996 8.152 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.141 7.414 -4.365 1.00 0.00 H new ATOM 117 N VAL A 9 -6.192 4.282 -2.987 1.00 0.00 N ATOM 118 CA VAL A 9 -6.978 3.292 -3.786 1.00 0.00 C ATOM 119 C VAL A 9 -8.467 3.685 -3.831 1.00 0.00 C ATOM 120 O VAL A 9 -9.189 3.475 -2.880 1.00 0.00 O ATOM 121 CB VAL A 9 -6.808 1.953 -3.061 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.017 0.819 -4.059 1.00 0.00 C ATOM 123 CG2 VAL A 9 -5.400 1.833 -2.461 1.00 0.00 C ATOM 0 H VAL A 9 -6.348 4.254 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.630 3.246 -4.818 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.540 1.896 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.898 -0.138 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.021 0.885 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.282 0.899 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.302 0.875 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.658 1.898 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.238 2.641 -1.748 1.00 0.00 H new ATOM 133 N PRO A 10 -8.885 4.246 -4.943 1.00 0.00 N ATOM 134 CA PRO A 10 -10.300 4.677 -5.109 1.00 0.00 C ATOM 135 C PRO A 10 -11.265 3.484 -5.244 1.00 0.00 C ATOM 136 O PRO A 10 -12.422 3.660 -5.572 1.00 0.00 O ATOM 137 CB PRO A 10 -10.250 5.470 -6.418 1.00 0.00 C ATOM 138 CG PRO A 10 -8.853 5.302 -7.047 1.00 0.00 C ATOM 139 CD PRO A 10 -7.974 4.491 -6.086 1.00 0.00 C ATOM 0 HA PRO A 10 -10.668 5.241 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.018 5.114 -7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.455 6.524 -6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.930 4.794 -8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.405 6.277 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.631 3.560 -6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.085 5.045 -5.784 1.00 0.00 H new ATOM 147 N GLY A 11 -10.818 2.278 -5.008 1.00 0.00 N ATOM 148 CA GLY A 11 -11.743 1.112 -5.143 1.00 0.00 C ATOM 149 C GLY A 11 -12.161 0.606 -3.758 1.00 0.00 C ATOM 150 O GLY A 11 -12.986 -0.276 -3.633 1.00 0.00 O ATOM 0 H GLY A 11 -9.863 2.050 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.625 1.402 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.253 0.312 -5.698 1.00 0.00 H new ATOM 154 N MET A 12 -11.593 1.151 -2.720 1.00 0.00 N ATOM 155 CA MET A 12 -11.951 0.695 -1.337 1.00 0.00 C ATOM 156 C MET A 12 -13.065 1.574 -0.763 1.00 0.00 C ATOM 157 O MET A 12 -13.184 2.734 -1.104 1.00 0.00 O ATOM 158 CB MET A 12 -10.676 0.851 -0.491 1.00 0.00 C ATOM 159 CG MET A 12 -9.423 0.718 -1.365 1.00 0.00 C ATOM 160 SD MET A 12 -9.561 -0.758 -2.400 1.00 0.00 S ATOM 161 CE MET A 12 -9.990 -1.908 -1.078 1.00 0.00 C ATOM 0 H MET A 12 -10.895 1.894 -2.763 1.00 0.00 H new ATOM 0 HA MET A 12 -12.308 -0.335 -1.340 1.00 0.00 H new ATOM 0 HB2 MET A 12 -10.679 1.823 0.003 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.660 0.094 0.293 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.307 1.603 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.534 0.653 -0.737 1.00 0.00 H new ATOM 0 HE1 MET A 12 -10.647 -2.684 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.082 -2.365 -0.685 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.501 -1.370 -0.279 1.00 0.00 H new ATOM 171 N THR A 13 -13.880 1.038 0.112 1.00 0.00 N ATOM 172 CA THR A 13 -14.977 1.866 0.700 1.00 0.00 C ATOM 173 C THR A 13 -15.805 1.065 1.719 1.00 0.00 C ATOM 174 O THR A 13 -17.018 1.130 1.717 1.00 0.00 O ATOM 175 CB THR A 13 -15.850 2.262 -0.494 1.00 0.00 C ATOM 176 OG1 THR A 13 -16.932 3.065 -0.043 1.00 0.00 O ATOM 177 CG2 THR A 13 -16.397 1.004 -1.168 1.00 0.00 C ATOM 0 H THR A 13 -13.834 0.074 0.441 1.00 0.00 H new ATOM 0 HA THR A 13 -14.582 2.727 1.239 1.00 0.00 H new ATOM 0 HB THR A 13 -15.251 2.825 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.410 2.597 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.018 1.287 -2.018 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.568 0.387 -1.514 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.996 0.439 -0.453 1.00 0.00 H new ATOM 185 N CYS A 14 -15.177 0.319 2.594 1.00 0.00 N ATOM 186 CA CYS A 14 -15.966 -0.458 3.598 1.00 0.00 C ATOM 187 C CYS A 14 -15.011 -1.265 4.488 1.00 0.00 C ATOM 188 O CYS A 14 -13.872 -1.464 4.150 1.00 0.00 O ATOM 189 CB CYS A 14 -16.904 -1.344 2.746 1.00 0.00 C ATOM 190 SG CYS A 14 -16.631 -3.115 3.044 1.00 0.00 S ATOM 0 H CYS A 14 -14.164 0.215 2.657 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.546 0.160 4.284 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.941 -1.095 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.747 -1.126 1.690 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.445 -3.810 2.306 1.00 0.00 H new ATOM 195 N ALA A 15 -15.460 -1.729 5.620 1.00 0.00 N ATOM 196 CA ALA A 15 -14.552 -2.518 6.508 1.00 0.00 C ATOM 197 C ALA A 15 -14.268 -3.896 5.897 1.00 0.00 C ATOM 198 O ALA A 15 -14.858 -4.885 6.284 1.00 0.00 O ATOM 199 CB ALA A 15 -15.317 -2.666 7.823 1.00 0.00 C ATOM 0 H ALA A 15 -16.409 -1.599 5.970 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.588 -2.029 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.716 -3.236 8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.526 -1.679 8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.256 -3.189 7.641 1.00 0.00 H new ATOM 205 N ALA A 16 -13.369 -3.975 4.949 1.00 0.00 N ATOM 206 CA ALA A 16 -13.059 -5.295 4.333 1.00 0.00 C ATOM 207 C ALA A 16 -12.016 -5.150 3.218 1.00 0.00 C ATOM 208 O ALA A 16 -10.992 -5.798 3.238 1.00 0.00 O ATOM 209 CB ALA A 16 -14.385 -5.793 3.763 1.00 0.00 C ATOM 0 H ALA A 16 -12.840 -3.186 4.578 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.639 -5.989 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.236 -6.764 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.114 -5.888 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.753 -5.082 3.023 1.00 0.00 H new ATOM 215 N CYS A 17 -12.280 -4.326 2.233 1.00 0.00 N ATOM 216 CA CYS A 17 -11.307 -4.170 1.104 1.00 0.00 C ATOM 217 C CYS A 17 -10.237 -3.108 1.412 1.00 0.00 C ATOM 218 O CYS A 17 -9.073 -3.343 1.172 1.00 0.00 O ATOM 219 CB CYS A 17 -12.147 -3.770 -0.117 1.00 0.00 C ATOM 220 SG CYS A 17 -13.671 -4.750 -0.167 1.00 0.00 S ATOM 0 H CYS A 17 -13.123 -3.757 2.161 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.759 -5.096 0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.389 -2.708 -0.071 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.574 -3.927 -1.031 1.00 0.00 H new ATOM 0 HG CYS A 17 -14.376 -4.403 -1.202 1.00 0.00 H new ATOM 225 N PRO A 18 -10.633 -1.972 1.931 1.00 0.00 N ATOM 226 CA PRO A 18 -9.639 -0.919 2.254 1.00 0.00 C ATOM 227 C PRO A 18 -8.571 -1.511 3.168 1.00 0.00 C ATOM 228 O PRO A 18 -7.391 -1.423 2.906 1.00 0.00 O ATOM 229 CB PRO A 18 -10.492 0.114 2.979 1.00 0.00 C ATOM 230 CG PRO A 18 -11.961 -0.205 2.695 1.00 0.00 C ATOM 231 CD PRO A 18 -12.049 -1.667 2.229 1.00 0.00 C ATOM 0 HA PRO A 18 -9.110 -0.500 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.296 0.086 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.247 1.119 2.636 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.564 -0.054 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.355 0.463 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.454 -2.319 3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.685 -1.779 1.351 1.00 0.00 H new ATOM 239 N ILE A 19 -8.989 -2.126 4.236 1.00 0.00 N ATOM 240 CA ILE A 19 -8.013 -2.762 5.171 1.00 0.00 C ATOM 241 C ILE A 19 -7.185 -3.827 4.428 1.00 0.00 C ATOM 242 O ILE A 19 -6.082 -4.159 4.825 1.00 0.00 O ATOM 243 CB ILE A 19 -8.870 -3.430 6.247 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.532 -2.358 7.114 1.00 0.00 C ATOM 245 CG2 ILE A 19 -7.983 -4.321 7.121 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.281 -3.021 8.271 1.00 0.00 C ATOM 0 H ILE A 19 -9.968 -2.218 4.506 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.315 -2.037 5.589 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.642 -4.037 5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.778 -1.673 7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.222 -1.766 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.591 -4.799 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.514 -5.086 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.212 -3.714 7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.751 -2.254 8.887 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.046 -3.688 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.580 -3.594 8.878 1.00 0.00 H new ATOM 258 N THR A 20 -7.705 -4.363 3.348 1.00 0.00 N ATOM 259 CA THR A 20 -6.944 -5.394 2.587 1.00 0.00 C ATOM 260 C THR A 20 -5.707 -4.743 1.997 1.00 0.00 C ATOM 261 O THR A 20 -4.696 -5.377 1.776 1.00 0.00 O ATOM 262 CB THR A 20 -7.883 -5.872 1.476 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.112 -6.291 2.044 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.241 -7.045 0.738 1.00 0.00 C ATOM 0 H THR A 20 -8.621 -4.129 2.965 1.00 0.00 H new ATOM 0 HA THR A 20 -6.625 -6.229 3.211 1.00 0.00 H new ATOM 0 HB THR A 20 -8.064 -5.055 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.490 -5.563 2.580 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.909 -7.386 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.294 -6.726 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.061 -7.861 1.438 1.00 0.00 H new ATOM 272 N VAL A 21 -5.781 -3.467 1.764 1.00 0.00 N ATOM 273 CA VAL A 21 -4.614 -2.752 1.217 1.00 0.00 C ATOM 274 C VAL A 21 -3.550 -2.695 2.304 1.00 0.00 C ATOM 275 O VAL A 21 -2.364 -2.651 2.034 1.00 0.00 O ATOM 276 CB VAL A 21 -5.114 -1.350 0.866 1.00 0.00 C ATOM 277 CG1 VAL A 21 -4.003 -0.576 0.151 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.331 -1.458 -0.055 1.00 0.00 C ATOM 0 H VAL A 21 -6.606 -2.890 1.931 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.183 -3.233 0.339 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.394 -0.826 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.359 0.423 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.135 -0.499 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.724 -1.101 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.688 -0.459 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.051 -1.983 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.123 -2.010 0.452 1.00 0.00 H new ATOM 288 N LYS A 22 -3.970 -2.733 3.543 1.00 0.00 N ATOM 289 CA LYS A 22 -2.987 -2.714 4.647 1.00 0.00 C ATOM 290 C LYS A 22 -2.232 -4.027 4.622 1.00 0.00 C ATOM 291 O LYS A 22 -1.024 -4.074 4.740 1.00 0.00 O ATOM 292 CB LYS A 22 -3.798 -2.599 5.939 1.00 0.00 C ATOM 293 CG LYS A 22 -2.838 -2.623 7.133 1.00 0.00 C ATOM 294 CD LYS A 22 -3.298 -1.620 8.191 1.00 0.00 C ATOM 295 CE LYS A 22 -2.368 -1.696 9.407 1.00 0.00 C ATOM 296 NZ LYS A 22 -3.240 -1.427 10.588 1.00 0.00 N ATOM 0 H LYS A 22 -4.948 -2.776 3.829 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.276 -1.892 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.377 -1.675 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.510 -3.421 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.801 -3.625 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.828 -2.380 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.292 -0.611 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.324 -1.836 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.897 -2.676 9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.566 -0.962 9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.669 -1.463 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.669 -0.484 10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.990 -2.146 10.637 1.00 0.00 H new ATOM 310 N LYS A 23 -2.948 -5.103 4.454 1.00 0.00 N ATOM 311 CA LYS A 23 -2.278 -6.420 4.406 1.00 0.00 C ATOM 312 C LYS A 23 -1.427 -6.508 3.146 1.00 0.00 C ATOM 313 O LYS A 23 -0.413 -7.172 3.108 1.00 0.00 O ATOM 314 CB LYS A 23 -3.404 -7.453 4.385 1.00 0.00 C ATOM 315 CG LYS A 23 -3.779 -7.816 5.821 1.00 0.00 C ATOM 316 CD LYS A 23 -4.161 -6.545 6.581 1.00 0.00 C ATOM 317 CE LYS A 23 -5.087 -6.904 7.744 1.00 0.00 C ATOM 318 NZ LYS A 23 -4.208 -7.588 8.732 1.00 0.00 N ATOM 0 H LYS A 23 -3.962 -5.122 4.349 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.615 -6.585 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.271 -7.053 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.087 -8.344 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.611 -8.520 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.942 -8.310 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.265 -6.049 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.657 -5.843 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.547 -6.014 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.898 -7.556 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.556 -8.554 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.236 -7.628 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.216 -7.060 9.628 1.00 0.00 H new ATOM 332 N ALA A 24 -1.838 -5.825 2.121 1.00 0.00 N ATOM 333 CA ALA A 24 -1.071 -5.840 0.851 1.00 0.00 C ATOM 334 C ALA A 24 0.348 -5.324 1.094 1.00 0.00 C ATOM 335 O ALA A 24 1.315 -5.895 0.630 1.00 0.00 O ATOM 336 CB ALA A 24 -1.830 -4.899 -0.085 1.00 0.00 C ATOM 0 H ALA A 24 -2.681 -5.251 2.108 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.982 -6.842 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.322 -4.857 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.846 -5.268 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.863 -3.901 0.351 1.00 0.00 H new ATOM 342 N LEU A 25 0.479 -4.248 1.821 1.00 0.00 N ATOM 343 CA LEU A 25 1.838 -3.697 2.097 1.00 0.00 C ATOM 344 C LEU A 25 2.622 -4.667 2.979 1.00 0.00 C ATOM 345 O LEU A 25 3.758 -4.996 2.707 1.00 0.00 O ATOM 346 CB LEU A 25 1.597 -2.392 2.852 1.00 0.00 C ATOM 347 CG LEU A 25 0.554 -1.552 2.123 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.483 -1.078 3.135 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.235 -0.344 1.479 1.00 0.00 C ATOM 0 H LEU A 25 -0.294 -3.727 2.235 1.00 0.00 H new ATOM 0 HA LEU A 25 2.411 -3.543 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.259 -2.606 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.530 -1.834 2.938 1.00 0.00 H new ATOM 0 HG LEU A 25 0.070 -2.145 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.237 -0.475 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.960 -1.941 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.006 -0.478 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.491 0.258 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.713 0.259 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.988 -0.686 0.769 1.00 0.00 H new ATOM 361 N SER A 26 2.013 -5.132 4.032 1.00 0.00 N ATOM 362 CA SER A 26 2.711 -6.085 4.932 1.00 0.00 C ATOM 363 C SER A 26 2.957 -7.387 4.181 1.00 0.00 C ATOM 364 O SER A 26 3.691 -8.247 4.627 1.00 0.00 O ATOM 365 CB SER A 26 1.750 -6.305 6.101 1.00 0.00 C ATOM 366 OG SER A 26 2.447 -6.926 7.173 1.00 0.00 O ATOM 0 H SER A 26 1.061 -4.892 4.308 1.00 0.00 H new ATOM 0 HA SER A 26 3.677 -5.717 5.277 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.332 -5.353 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.913 -6.929 5.786 1.00 0.00 H new ATOM 0 HG SER A 26 1.834 -7.067 7.924 1.00 0.00 H new ATOM 372 N LYS A 27 2.347 -7.538 3.038 1.00 0.00 N ATOM 373 CA LYS A 27 2.546 -8.782 2.259 1.00 0.00 C ATOM 374 C LYS A 27 3.349 -8.486 0.996 1.00 0.00 C ATOM 375 O LYS A 27 3.781 -9.380 0.296 1.00 0.00 O ATOM 376 CB LYS A 27 1.141 -9.274 1.908 1.00 0.00 C ATOM 377 CG LYS A 27 0.578 -10.109 3.064 1.00 0.00 C ATOM 378 CD LYS A 27 0.924 -9.448 4.402 1.00 0.00 C ATOM 379 CE LYS A 27 -0.034 -9.954 5.485 1.00 0.00 C ATOM 380 NZ LYS A 27 0.528 -11.262 5.928 1.00 0.00 N ATOM 0 H LYS A 27 1.722 -6.853 2.614 1.00 0.00 H new ATOM 0 HA LYS A 27 3.102 -9.534 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.488 -8.424 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.172 -9.872 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.503 -10.202 2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.990 -11.118 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.954 -9.676 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.850 -8.364 4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.095 -9.251 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.044 -10.073 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.078 -11.667 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.568 -11.915 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.487 -11.118 6.304 1.00 0.00 H new ATOM 394 N VAL A 28 3.558 -7.236 0.707 1.00 0.00 N ATOM 395 CA VAL A 28 4.342 -6.875 -0.502 1.00 0.00 C ATOM 396 C VAL A 28 5.634 -7.694 -0.524 1.00 0.00 C ATOM 397 O VAL A 28 5.889 -8.433 -1.453 1.00 0.00 O ATOM 398 CB VAL A 28 4.629 -5.374 -0.340 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.981 -5.009 -0.967 1.00 0.00 C ATOM 400 CG2 VAL A 28 3.525 -4.571 -1.029 1.00 0.00 C ATOM 0 H VAL A 28 3.219 -6.447 1.257 1.00 0.00 H new ATOM 0 HA VAL A 28 3.821 -7.080 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 28 4.659 -5.138 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.164 -3.942 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.774 -5.574 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.967 -5.252 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.725 -3.506 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.498 -4.825 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.564 -4.810 -0.574 1.00 0.00 H new ATOM 410 N GLU A 29 6.432 -7.564 0.510 1.00 0.00 N ATOM 411 CA GLU A 29 7.725 -8.319 0.608 1.00 0.00 C ATOM 412 C GLU A 29 8.703 -7.569 1.511 1.00 0.00 C ATOM 413 O GLU A 29 8.894 -7.907 2.662 1.00 0.00 O ATOM 414 CB GLU A 29 8.307 -8.379 -0.805 1.00 0.00 C ATOM 415 CG GLU A 29 8.114 -9.784 -1.368 1.00 0.00 C ATOM 416 CD GLU A 29 9.424 -10.267 -1.994 1.00 0.00 C ATOM 417 OE1 GLU A 29 9.992 -9.524 -2.778 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.839 -11.370 -1.679 1.00 0.00 O ATOM 0 H GLU A 29 6.239 -6.955 1.305 1.00 0.00 H new ATOM 0 HA GLU A 29 7.559 -9.313 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.815 -7.647 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.367 -8.124 -0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.804 -10.465 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.320 -9.782 -2.115 1.00 0.00 H new ATOM 425 N GLY A 30 9.339 -6.561 0.980 1.00 0.00 N ATOM 426 CA GLY A 30 10.329 -5.788 1.780 1.00 0.00 C ATOM 427 C GLY A 30 9.624 -4.784 2.692 1.00 0.00 C ATOM 428 O GLY A 30 10.245 -4.162 3.531 1.00 0.00 O ATOM 0 H GLY A 30 9.214 -6.238 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.931 -6.471 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.012 -5.263 1.113 1.00 0.00 H new ATOM 432 N VAL A 31 8.339 -4.617 2.546 1.00 0.00 N ATOM 433 CA VAL A 31 7.619 -3.648 3.425 1.00 0.00 C ATOM 434 C VAL A 31 8.099 -3.815 4.861 1.00 0.00 C ATOM 435 O VAL A 31 8.031 -4.881 5.440 1.00 0.00 O ATOM 436 CB VAL A 31 6.132 -3.987 3.278 1.00 0.00 C ATOM 437 CG1 VAL A 31 5.367 -3.580 4.543 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.570 -3.217 2.082 1.00 0.00 C ATOM 0 H VAL A 31 7.759 -5.104 1.863 1.00 0.00 H new ATOM 0 HA VAL A 31 7.803 -2.609 3.151 1.00 0.00 H new ATOM 0 HB VAL A 31 6.019 -5.061 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.312 -3.826 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.771 -4.117 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.473 -2.507 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.511 -3.449 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.691 -2.147 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.107 -3.506 1.178 1.00 0.00 H new ATOM 448 N SER A 32 8.599 -2.761 5.427 1.00 0.00 N ATOM 449 CA SER A 32 9.108 -2.834 6.822 1.00 0.00 C ATOM 450 C SER A 32 8.166 -2.089 7.760 1.00 0.00 C ATOM 451 O SER A 32 8.267 -2.187 8.967 1.00 0.00 O ATOM 452 CB SER A 32 10.475 -2.154 6.778 1.00 0.00 C ATOM 453 OG SER A 32 10.643 -1.359 7.945 1.00 0.00 O ATOM 0 H SER A 32 8.679 -1.846 4.984 1.00 0.00 H new ATOM 0 HA SER A 32 9.176 -3.858 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.265 -2.903 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.556 -1.533 5.886 1.00 0.00 H new ATOM 0 HG SER A 32 11.520 -0.923 7.920 1.00 0.00 H new ATOM 459 N LYS A 33 7.247 -1.349 7.215 1.00 0.00 N ATOM 460 CA LYS A 33 6.293 -0.603 8.090 1.00 0.00 C ATOM 461 C LYS A 33 5.001 -0.305 7.321 1.00 0.00 C ATOM 462 O LYS A 33 4.969 -0.356 6.111 1.00 0.00 O ATOM 463 CB LYS A 33 7.055 0.675 8.488 1.00 0.00 C ATOM 464 CG LYS A 33 6.167 1.918 8.348 1.00 0.00 C ATOM 465 CD LYS A 33 6.923 3.143 8.865 1.00 0.00 C ATOM 466 CE LYS A 33 6.086 3.852 9.932 1.00 0.00 C ATOM 467 NZ LYS A 33 6.382 3.126 11.199 1.00 0.00 N ATOM 0 H LYS A 33 7.111 -1.225 6.212 1.00 0.00 H new ATOM 0 HA LYS A 33 5.984 -1.162 8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.403 0.588 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.939 0.784 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.887 2.063 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.243 1.783 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.883 2.840 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.135 3.826 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.355 4.906 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.024 3.811 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.844 3.555 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.110 2.127 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.399 3.188 11.405 1.00 0.00 H new ATOM 481 N VAL A 34 3.931 -0.005 8.012 1.00 0.00 N ATOM 482 CA VAL A 34 2.651 0.279 7.306 1.00 0.00 C ATOM 483 C VAL A 34 1.795 1.269 8.102 1.00 0.00 C ATOM 484 O VAL A 34 1.873 1.349 9.312 1.00 0.00 O ATOM 485 CB VAL A 34 1.953 -1.076 7.210 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.758 -0.972 6.261 1.00 0.00 C ATOM 487 CG2 VAL A 34 2.941 -2.117 6.678 1.00 0.00 C ATOM 0 H VAL A 34 3.891 0.055 9.029 1.00 0.00 H new ATOM 0 HA VAL A 34 2.815 0.732 6.328 1.00 0.00 H new ATOM 0 HB VAL A 34 1.603 -1.376 8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.261 -1.940 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.056 -0.229 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.104 -0.672 5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.446 -3.086 6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.290 -1.816 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.791 -2.192 7.356 1.00 0.00 H new ATOM 497 N ASP A 35 0.973 2.018 7.419 1.00 0.00 N ATOM 498 CA ASP A 35 0.095 3.007 8.103 1.00 0.00 C ATOM 499 C ASP A 35 -0.950 3.498 7.103 1.00 0.00 C ATOM 500 O ASP A 35 -0.784 4.520 6.470 1.00 0.00 O ATOM 501 CB ASP A 35 1.025 4.146 8.522 1.00 0.00 C ATOM 502 CG ASP A 35 0.191 5.361 8.933 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.883 5.159 9.476 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.640 6.471 8.699 1.00 0.00 O ATOM 0 H ASP A 35 0.872 1.986 6.405 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.432 2.595 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.656 3.828 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.689 4.409 7.699 1.00 0.00 H new ATOM 509 N VAL A 36 -2.009 2.758 6.928 1.00 0.00 N ATOM 510 CA VAL A 36 -3.041 3.161 5.932 1.00 0.00 C ATOM 511 C VAL A 36 -4.328 3.631 6.608 1.00 0.00 C ATOM 512 O VAL A 36 -4.368 3.901 7.792 1.00 0.00 O ATOM 513 CB VAL A 36 -3.308 1.888 5.125 1.00 0.00 C ATOM 514 CG1 VAL A 36 -1.978 1.224 4.759 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.138 0.915 5.961 1.00 0.00 C ATOM 0 H VAL A 36 -2.205 1.892 7.431 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.701 3.995 5.319 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.852 2.148 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.170 0.318 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.380 1.912 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.436 0.968 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.327 0.009 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.593 0.660 6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.087 1.381 6.226 1.00 0.00 H new ATOM 525 N GLY A 37 -5.382 3.719 5.846 1.00 0.00 N ATOM 526 CA GLY A 37 -6.687 4.159 6.400 1.00 0.00 C ATOM 527 C GLY A 37 -7.806 3.534 5.569 1.00 0.00 C ATOM 528 O GLY A 37 -8.181 4.045 4.528 1.00 0.00 O ATOM 0 H GLY A 37 -5.392 3.501 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.776 3.856 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.761 5.246 6.376 1.00 0.00 H new ATOM 532 N PHE A 38 -8.326 2.420 6.014 1.00 0.00 N ATOM 533 CA PHE A 38 -9.410 1.733 5.268 1.00 0.00 C ATOM 534 C PHE A 38 -10.502 2.719 4.816 1.00 0.00 C ATOM 535 O PHE A 38 -10.321 3.428 3.848 1.00 0.00 O ATOM 536 CB PHE A 38 -9.973 0.697 6.253 1.00 0.00 C ATOM 537 CG PHE A 38 -10.056 1.272 7.660 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.147 2.658 7.867 1.00 0.00 C ATOM 539 CD2 PHE A 38 -10.041 0.408 8.763 1.00 0.00 C ATOM 540 CE1 PHE A 38 -10.225 3.171 9.167 1.00 0.00 C ATOM 541 CE2 PHE A 38 -10.120 0.923 10.062 1.00 0.00 C ATOM 542 CZ PHE A 38 -10.210 2.304 10.264 1.00 0.00 C ATOM 0 H PHE A 38 -8.038 1.955 6.875 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.038 1.271 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.964 0.380 5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.339 -0.190 6.255 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.157 3.330 7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.968 -0.659 8.610 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.297 4.237 9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.111 0.253 10.909 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.268 2.701 11.267 1.00 0.00 H new ATOM 552 N GLU A 39 -11.629 2.744 5.511 1.00 0.00 N ATOM 553 CA GLU A 39 -12.776 3.653 5.157 1.00 0.00 C ATOM 554 C GLU A 39 -12.485 4.483 3.909 1.00 0.00 C ATOM 555 O GLU A 39 -12.985 4.205 2.838 1.00 0.00 O ATOM 556 CB GLU A 39 -12.937 4.563 6.373 1.00 0.00 C ATOM 557 CG GLU A 39 -14.182 4.149 7.159 1.00 0.00 C ATOM 558 CD GLU A 39 -15.420 4.784 6.526 1.00 0.00 C ATOM 559 OE1 GLU A 39 -15.667 5.948 6.796 1.00 0.00 O ATOM 560 OE2 GLU A 39 -16.100 4.097 5.782 1.00 0.00 O ATOM 0 H GLU A 39 -11.801 2.157 6.327 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.677 3.083 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.054 4.498 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.024 5.602 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.279 3.063 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.090 4.464 8.198 1.00 0.00 H new ATOM 567 N LYS A 40 -11.667 5.488 4.031 1.00 0.00 N ATOM 568 CA LYS A 40 -11.336 6.310 2.839 1.00 0.00 C ATOM 569 C LYS A 40 -10.633 5.421 1.808 1.00 0.00 C ATOM 570 O LYS A 40 -11.265 4.907 0.909 1.00 0.00 O ATOM 571 CB LYS A 40 -10.404 7.402 3.363 1.00 0.00 C ATOM 572 CG LYS A 40 -11.017 8.775 3.077 1.00 0.00 C ATOM 573 CD LYS A 40 -11.391 9.456 4.395 1.00 0.00 C ATOM 574 CE LYS A 40 -10.136 10.055 5.035 1.00 0.00 C ATOM 575 NZ LYS A 40 -9.915 9.252 6.270 1.00 0.00 N ATOM 0 H LYS A 40 -11.216 5.774 4.900 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.209 6.743 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.247 7.278 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.427 7.321 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.308 9.393 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.901 8.666 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.129 10.238 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.848 8.735 5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.280 9.990 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.277 11.110 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.352 9.805 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.832 9.012 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.406 8.377 6.029 1.00 0.00 H new ATOM 589 N ARG A 41 -9.338 5.221 1.971 1.00 0.00 N ATOM 590 CA ARG A 41 -8.523 4.346 1.052 1.00 0.00 C ATOM 591 C ARG A 41 -7.134 4.943 0.864 1.00 0.00 C ATOM 592 O ARG A 41 -6.756 5.318 -0.228 1.00 0.00 O ATOM 593 CB ARG A 41 -9.208 4.293 -0.309 1.00 0.00 C ATOM 594 CG ARG A 41 -9.534 5.710 -0.791 1.00 0.00 C ATOM 595 CD ARG A 41 -8.552 6.111 -1.895 1.00 0.00 C ATOM 596 NE ARG A 41 -7.879 7.343 -1.378 1.00 0.00 N ATOM 597 CZ ARG A 41 -8.576 8.356 -0.931 1.00 0.00 C ATOM 598 NH1 ARG A 41 -9.871 8.404 -1.109 1.00 0.00 N ATOM 599 NH2 ARG A 41 -7.965 9.357 -0.356 1.00 0.00 N ATOM 0 H ARG A 41 -8.797 5.642 2.727 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.440 3.349 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.561 3.795 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.123 3.704 -0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.557 5.752 -1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.470 6.412 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.830 5.318 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.070 6.308 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.860 7.394 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.347 7.647 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.405 9.198 -0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.950 9.346 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.503 10.150 -0.006 1.00 0.00 H new ATOM 613 N GLU A 42 -6.370 5.037 1.904 1.00 0.00 N ATOM 614 CA GLU A 42 -5.003 5.616 1.751 1.00 0.00 C ATOM 615 C GLU A 42 -3.976 4.751 2.485 1.00 0.00 C ATOM 616 O GLU A 42 -4.031 4.598 3.688 1.00 0.00 O ATOM 617 CB GLU A 42 -5.087 7.006 2.382 1.00 0.00 C ATOM 618 CG GLU A 42 -5.597 8.005 1.344 1.00 0.00 C ATOM 619 CD GLU A 42 -5.369 9.428 1.854 1.00 0.00 C ATOM 620 OE1 GLU A 42 -4.226 9.853 1.871 1.00 0.00 O ATOM 621 OE2 GLU A 42 -6.341 10.067 2.222 1.00 0.00 O ATOM 0 H GLU A 42 -6.622 4.744 2.848 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.689 5.662 0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.755 6.987 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.106 7.312 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.078 7.859 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.658 7.840 1.155 1.00 0.00 H new ATOM 628 N ALA A 43 -3.046 4.171 1.773 1.00 0.00 N ATOM 629 CA ALA A 43 -2.040 3.307 2.450 1.00 0.00 C ATOM 630 C ALA A 43 -0.650 3.951 2.447 1.00 0.00 C ATOM 631 O ALA A 43 -0.031 4.114 1.421 1.00 0.00 O ATOM 632 CB ALA A 43 -2.036 2.012 1.638 1.00 0.00 C ATOM 0 H ALA A 43 -2.941 4.258 0.762 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.289 3.144 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.318 1.314 2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.031 1.567 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.756 2.230 0.607 1.00 0.00 H new ATOM 638 N VAL A 44 -0.131 4.279 3.597 1.00 0.00 N ATOM 639 CA VAL A 44 1.231 4.880 3.651 1.00 0.00 C ATOM 640 C VAL A 44 2.180 3.826 4.196 1.00 0.00 C ATOM 641 O VAL A 44 1.942 3.245 5.233 1.00 0.00 O ATOM 642 CB VAL A 44 1.109 6.079 4.595 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.473 6.405 5.208 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.605 7.290 3.807 1.00 0.00 C ATOM 0 H VAL A 44 -0.590 4.157 4.500 1.00 0.00 H new ATOM 0 HA VAL A 44 1.612 5.204 2.682 1.00 0.00 H new ATOM 0 HB VAL A 44 0.408 5.837 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.376 7.259 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.835 5.543 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.181 6.645 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.516 8.147 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.309 7.523 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.370 7.063 3.376 1.00 0.00 H new ATOM 654 N VAL A 45 3.218 3.519 3.477 1.00 0.00 N ATOM 655 CA VAL A 45 4.113 2.431 3.953 1.00 0.00 C ATOM 656 C VAL A 45 5.600 2.732 3.754 1.00 0.00 C ATOM 657 O VAL A 45 5.993 3.549 2.946 1.00 0.00 O ATOM 658 CB VAL A 45 3.700 1.243 3.082 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.331 1.371 1.695 1.00 0.00 C ATOM 660 CG2 VAL A 45 4.158 -0.065 3.727 1.00 0.00 C ATOM 0 H VAL A 45 3.484 3.963 2.598 1.00 0.00 H new ATOM 0 HA VAL A 45 4.008 2.271 5.026 1.00 0.00 H new ATOM 0 HB VAL A 45 2.614 1.238 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.033 0.522 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.994 2.295 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.417 1.387 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.859 -0.904 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.243 -0.059 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.699 -0.166 4.710 1.00 0.00 H new ATOM 670 N THR A 46 6.418 2.014 4.471 1.00 0.00 N ATOM 671 CA THR A 46 7.892 2.151 4.345 1.00 0.00 C ATOM 672 C THR A 46 8.435 0.786 3.955 1.00 0.00 C ATOM 673 O THR A 46 7.794 -0.220 4.186 1.00 0.00 O ATOM 674 CB THR A 46 8.391 2.543 5.736 1.00 0.00 C ATOM 675 OG1 THR A 46 8.213 3.939 5.929 1.00 0.00 O ATOM 676 CG2 THR A 46 9.876 2.188 5.865 1.00 0.00 C ATOM 0 H THR A 46 6.116 1.321 5.156 1.00 0.00 H new ATOM 0 HA THR A 46 8.202 2.888 3.604 1.00 0.00 H new ATOM 0 HB THR A 46 7.824 2.001 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.799 4.247 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.232 2.467 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.008 1.116 5.721 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.446 2.728 5.109 1.00 0.00 H new ATOM 684 N PHE A 47 9.589 0.721 3.367 1.00 0.00 N ATOM 685 CA PHE A 47 10.114 -0.609 2.980 1.00 0.00 C ATOM 686 C PHE A 47 11.545 -0.506 2.499 1.00 0.00 C ATOM 687 O PHE A 47 12.146 0.544 2.517 1.00 0.00 O ATOM 688 CB PHE A 47 9.211 -1.062 1.834 1.00 0.00 C ATOM 689 CG PHE A 47 9.362 -0.103 0.674 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.400 -0.274 -0.255 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.462 0.961 0.527 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.535 0.616 -1.323 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.600 1.851 -0.545 1.00 0.00 C ATOM 694 CZ PHE A 47 9.637 1.678 -1.470 1.00 0.00 C ATOM 0 H PHE A 47 10.184 1.518 3.140 1.00 0.00 H new ATOM 0 HA PHE A 47 10.114 -1.305 3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.477 -2.072 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.172 -1.093 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.094 -1.094 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.662 1.094 1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.335 0.484 -2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.907 2.671 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.743 2.365 -2.297 1.00 0.00 H new ATOM 704 N ASP A 48 12.070 -1.592 2.028 1.00 0.00 N ATOM 705 CA ASP A 48 13.448 -1.581 1.494 1.00 0.00 C ATOM 706 C ASP A 48 13.343 -1.676 -0.021 1.00 0.00 C ATOM 707 O ASP A 48 12.718 -2.572 -0.551 1.00 0.00 O ATOM 708 CB ASP A 48 14.132 -2.819 2.080 1.00 0.00 C ATOM 709 CG ASP A 48 14.312 -2.639 3.589 1.00 0.00 C ATOM 710 OD1 ASP A 48 14.025 -1.558 4.075 1.00 0.00 O ATOM 711 OD2 ASP A 48 14.734 -3.586 4.233 1.00 0.00 O ATOM 0 H ASP A 48 11.598 -2.496 1.990 1.00 0.00 H new ATOM 0 HA ASP A 48 14.014 -0.685 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.534 -3.707 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.100 -2.972 1.604 1.00 0.00 H new ATOM 716 N ASP A 49 13.903 -0.740 -0.728 1.00 0.00 N ATOM 717 CA ASP A 49 13.764 -0.782 -2.211 1.00 0.00 C ATOM 718 C ASP A 49 14.607 -1.914 -2.811 1.00 0.00 C ATOM 719 O ASP A 49 14.646 -2.099 -4.012 1.00 0.00 O ATOM 720 CB ASP A 49 14.219 0.595 -2.712 1.00 0.00 C ATOM 721 CG ASP A 49 15.739 0.621 -2.900 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.230 -0.147 -3.711 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.384 1.413 -2.235 1.00 0.00 O ATOM 0 H ASP A 49 14.443 0.041 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 49 12.737 -0.987 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.726 0.826 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.921 1.364 -2.000 1.00 0.00 H new ATOM 728 N THR A 50 15.271 -2.680 -1.992 1.00 0.00 N ATOM 729 CA THR A 50 16.093 -3.802 -2.527 1.00 0.00 C ATOM 730 C THR A 50 15.191 -4.991 -2.877 1.00 0.00 C ATOM 731 O THR A 50 15.505 -5.789 -3.737 1.00 0.00 O ATOM 732 CB THR A 50 17.052 -4.169 -1.392 1.00 0.00 C ATOM 733 OG1 THR A 50 16.315 -4.343 -0.189 1.00 0.00 O ATOM 734 CG2 THR A 50 18.079 -3.051 -1.207 1.00 0.00 C ATOM 0 H THR A 50 15.281 -2.579 -0.977 1.00 0.00 H new ATOM 0 HA THR A 50 16.628 -3.528 -3.436 1.00 0.00 H new ATOM 0 HB THR A 50 17.569 -5.096 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.927 -4.580 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 50 18.761 -3.314 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.644 -2.919 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.565 -2.122 -0.961 1.00 0.00 H new ATOM 742 N LYS A 51 14.071 -5.115 -2.213 1.00 0.00 N ATOM 743 CA LYS A 51 13.150 -6.254 -2.507 1.00 0.00 C ATOM 744 C LYS A 51 11.763 -5.742 -2.902 1.00 0.00 C ATOM 745 O LYS A 51 10.970 -6.453 -3.487 1.00 0.00 O ATOM 746 CB LYS A 51 13.077 -7.052 -1.205 1.00 0.00 C ATOM 747 CG LYS A 51 14.189 -8.102 -1.185 1.00 0.00 C ATOM 748 CD LYS A 51 14.062 -8.954 0.080 1.00 0.00 C ATOM 749 CE LYS A 51 14.177 -8.057 1.315 1.00 0.00 C ATOM 750 NZ LYS A 51 14.590 -8.969 2.417 1.00 0.00 N ATOM 0 H LYS A 51 13.755 -4.479 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 51 13.506 -6.860 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.179 -6.383 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.104 -7.536 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.123 -8.734 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.164 -7.615 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.105 -9.476 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.841 -9.716 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.911 -7.266 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.227 -7.571 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.690 -8.426 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.869 -9.707 2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.500 -9.412 2.178 1.00 0.00 H new ATOM 764 N ALA A 52 11.469 -4.515 -2.589 1.00 0.00 N ATOM 765 CA ALA A 52 10.136 -3.945 -2.946 1.00 0.00 C ATOM 766 C ALA A 52 10.296 -2.513 -3.458 1.00 0.00 C ATOM 767 O ALA A 52 11.392 -2.052 -3.706 1.00 0.00 O ATOM 768 CB ALA A 52 9.329 -3.963 -1.646 1.00 0.00 C ATOM 0 H ALA A 52 12.095 -3.876 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 52 9.644 -4.513 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.334 -3.557 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.242 -4.988 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.835 -3.356 -0.895 1.00 0.00 H new ATOM 774 N SER A 53 9.212 -1.806 -3.621 1.00 0.00 N ATOM 775 CA SER A 53 9.305 -0.405 -4.120 1.00 0.00 C ATOM 776 C SER A 53 7.915 0.229 -4.180 1.00 0.00 C ATOM 777 O SER A 53 6.913 -0.454 -4.215 1.00 0.00 O ATOM 778 CB SER A 53 9.896 -0.523 -5.524 1.00 0.00 C ATOM 779 OG SER A 53 10.970 0.399 -5.661 1.00 0.00 O ATOM 0 H SER A 53 8.266 -2.137 -3.430 1.00 0.00 H new ATOM 0 HA SER A 53 9.914 0.223 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.250 -1.539 -5.698 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.130 -0.320 -6.272 1.00 0.00 H new ATOM 0 HG SER A 53 11.352 0.324 -6.560 1.00 0.00 H new ATOM 785 N VAL A 54 7.849 1.530 -4.197 1.00 0.00 N ATOM 786 CA VAL A 54 6.535 2.212 -4.269 1.00 0.00 C ATOM 787 C VAL A 54 5.642 1.500 -5.285 1.00 0.00 C ATOM 788 O VAL A 54 4.473 1.272 -5.046 1.00 0.00 O ATOM 789 CB VAL A 54 6.869 3.630 -4.730 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.943 4.231 -3.820 1.00 0.00 C ATOM 791 CG2 VAL A 54 7.389 3.588 -6.170 1.00 0.00 C ATOM 0 H VAL A 54 8.657 2.152 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 54 5.997 2.210 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 54 5.970 4.245 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.178 5.242 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.575 4.263 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.842 3.617 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.628 4.599 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.286 2.970 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.624 3.165 -6.821 1.00 0.00 H new ATOM 801 N GLN A 55 6.190 1.129 -6.409 1.00 0.00 N ATOM 802 CA GLN A 55 5.377 0.412 -7.428 1.00 0.00 C ATOM 803 C GLN A 55 4.861 -0.894 -6.826 1.00 0.00 C ATOM 804 O GLN A 55 3.711 -1.247 -6.975 1.00 0.00 O ATOM 805 CB GLN A 55 6.344 0.129 -8.579 1.00 0.00 C ATOM 806 CG GLN A 55 5.702 -0.855 -9.556 1.00 0.00 C ATOM 807 CD GLN A 55 6.433 -0.807 -10.903 1.00 0.00 C ATOM 808 OE1 GLN A 55 7.577 -0.182 -10.999 1.00 0.00 O flip ATOM 809 NE2 GLN A 55 5.958 -1.350 -11.880 1.00 0.00 N flip ATOM 0 H GLN A 55 7.164 1.291 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 55 4.513 0.985 -7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.595 1.057 -9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.276 -0.283 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.741 -1.865 -9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.649 -0.608 -9.695 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.065 -1.839 -11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.452 -1.317 -12.772 1.00 0.00 H new ATOM 818 N LYS A 56 5.713 -1.611 -6.146 1.00 0.00 N ATOM 819 CA LYS A 56 5.289 -2.898 -5.526 1.00 0.00 C ATOM 820 C LYS A 56 4.249 -2.661 -4.423 1.00 0.00 C ATOM 821 O LYS A 56 3.464 -3.536 -4.114 1.00 0.00 O ATOM 822 CB LYS A 56 6.569 -3.493 -4.936 1.00 0.00 C ATOM 823 CG LYS A 56 6.543 -5.016 -5.087 1.00 0.00 C ATOM 824 CD LYS A 56 7.855 -5.490 -5.716 1.00 0.00 C ATOM 825 CE LYS A 56 7.651 -6.872 -6.340 1.00 0.00 C ATOM 826 NZ LYS A 56 8.040 -7.840 -5.274 1.00 0.00 N ATOM 0 H LYS A 56 6.689 -1.359 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 56 4.821 -3.562 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.441 -3.082 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.656 -3.223 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.404 -5.486 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.700 -5.316 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.183 -4.781 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.639 -5.533 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.615 -7.018 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.267 -6.997 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.926 -8.811 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.033 -7.683 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.432 -7.702 -4.441 1.00 0.00 H new ATOM 840 N LEU A 57 4.215 -1.493 -3.832 1.00 0.00 N ATOM 841 CA LEU A 57 3.198 -1.249 -2.770 1.00 0.00 C ATOM 842 C LEU A 57 1.842 -1.043 -3.443 1.00 0.00 C ATOM 843 O LEU A 57 0.871 -1.715 -3.145 1.00 0.00 O ATOM 844 CB LEU A 57 3.646 0.021 -2.046 1.00 0.00 C ATOM 845 CG LEU A 57 5.126 -0.080 -1.662 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.606 1.290 -1.196 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.308 -1.091 -0.528 1.00 0.00 C ATOM 0 H LEU A 57 4.837 -0.711 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 57 3.107 -2.078 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.488 0.888 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.041 0.171 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 57 5.703 -0.410 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.659 1.232 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.482 2.013 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.021 1.606 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.363 -1.155 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.735 -0.770 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.956 -2.070 -0.853 1.00 0.00 H new ATOM 859 N THR A 58 1.785 -0.142 -4.384 1.00 0.00 N ATOM 860 CA THR A 58 0.515 0.088 -5.120 1.00 0.00 C ATOM 861 C THR A 58 0.210 -1.161 -5.938 1.00 0.00 C ATOM 862 O THR A 58 -0.907 -1.396 -6.351 1.00 0.00 O ATOM 863 CB THR A 58 0.790 1.274 -6.045 1.00 0.00 C ATOM 864 OG1 THR A 58 1.812 2.085 -5.486 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.485 2.102 -6.219 1.00 0.00 C ATOM 0 H THR A 58 2.567 0.446 -4.674 1.00 0.00 H new ATOM 0 HA THR A 58 -0.332 0.290 -4.464 1.00 0.00 H new ATOM 0 HB THR A 58 1.112 0.904 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.565 2.140 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.284 2.946 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.267 1.479 -6.654 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.814 2.471 -5.248 1.00 0.00 H new ATOM 873 N LYS A 59 1.211 -1.973 -6.157 1.00 0.00 N ATOM 874 CA LYS A 59 1.005 -3.222 -6.924 1.00 0.00 C ATOM 875 C LYS A 59 0.494 -4.301 -5.975 1.00 0.00 C ATOM 876 O LYS A 59 -0.185 -5.224 -6.376 1.00 0.00 O ATOM 877 CB LYS A 59 2.384 -3.587 -7.469 1.00 0.00 C ATOM 878 CG LYS A 59 2.268 -4.838 -8.338 1.00 0.00 C ATOM 879 CD LYS A 59 2.032 -4.429 -9.793 1.00 0.00 C ATOM 880 CE LYS A 59 0.777 -5.125 -10.324 1.00 0.00 C ATOM 881 NZ LYS A 59 0.986 -5.221 -11.796 1.00 0.00 N ATOM 0 H LYS A 59 2.166 -1.818 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 59 0.278 -3.116 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.787 -2.760 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.077 -3.764 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.177 -5.434 -8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.447 -5.463 -7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.918 -3.347 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.895 -4.699 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.653 -6.112 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.121 -4.554 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.166 -5.688 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.094 -4.266 -12.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.844 -5.776 -11.989 1.00 0.00 H new ATOM 895 N ALA A 60 0.803 -4.182 -4.709 1.00 0.00 N ATOM 896 CA ALA A 60 0.310 -5.197 -3.739 1.00 0.00 C ATOM 897 C ALA A 60 -1.192 -5.022 -3.561 1.00 0.00 C ATOM 898 O ALA A 60 -1.941 -5.978 -3.550 1.00 0.00 O ATOM 899 CB ALA A 60 1.054 -4.918 -2.433 1.00 0.00 C ATOM 0 H ALA A 60 1.370 -3.433 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 60 0.486 -6.220 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.737 -5.633 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.127 -5.016 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.830 -3.906 -2.095 1.00 0.00 H new ATOM 905 N THR A 61 -1.648 -3.805 -3.460 1.00 0.00 N ATOM 906 CA THR A 61 -3.111 -3.590 -3.330 1.00 0.00 C ATOM 907 C THR A 61 -3.721 -3.768 -4.709 1.00 0.00 C ATOM 908 O THR A 61 -4.773 -4.358 -4.876 1.00 0.00 O ATOM 909 CB THR A 61 -3.274 -2.159 -2.833 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.647 -1.905 -2.568 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.762 -1.179 -3.891 1.00 0.00 C ATOM 0 H THR A 61 -1.077 -2.960 -3.462 1.00 0.00 H new ATOM 0 HA THR A 61 -3.599 -4.283 -2.645 1.00 0.00 H new ATOM 0 HB THR A 61 -2.697 -2.027 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.916 -1.070 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.882 -0.158 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.708 -1.373 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.332 -1.307 -4.811 1.00 0.00 H new ATOM 919 N ALA A 62 -3.034 -3.294 -5.710 1.00 0.00 N ATOM 920 CA ALA A 62 -3.536 -3.472 -7.087 1.00 0.00 C ATOM 921 C ALA A 62 -3.640 -4.970 -7.349 1.00 0.00 C ATOM 922 O ALA A 62 -4.430 -5.423 -8.153 1.00 0.00 O ATOM 923 CB ALA A 62 -2.486 -2.822 -7.988 1.00 0.00 C ATOM 0 H ALA A 62 -2.149 -2.793 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.515 -3.026 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.792 -2.916 -9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.389 -1.767 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.526 -3.319 -7.846 1.00 0.00 H new ATOM 929 N ASP A 63 -2.855 -5.747 -6.642 1.00 0.00 N ATOM 930 CA ASP A 63 -2.918 -7.219 -6.815 1.00 0.00 C ATOM 931 C ASP A 63 -4.040 -7.770 -5.940 1.00 0.00 C ATOM 932 O ASP A 63 -4.624 -8.795 -6.231 1.00 0.00 O ATOM 933 CB ASP A 63 -1.560 -7.742 -6.348 1.00 0.00 C ATOM 934 CG ASP A 63 -1.563 -9.272 -6.382 1.00 0.00 C ATOM 935 OD1 ASP A 63 -2.129 -9.864 -5.478 1.00 0.00 O ATOM 936 OD2 ASP A 63 -0.999 -9.826 -7.311 1.00 0.00 O ATOM 0 H ASP A 63 -2.176 -5.419 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.120 -7.518 -7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.769 -7.355 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.351 -7.391 -5.338 1.00 0.00 H new ATOM 941 N ALA A 64 -4.367 -7.077 -4.879 1.00 0.00 N ATOM 942 CA ALA A 64 -5.470 -7.545 -4.007 1.00 0.00 C ATOM 943 C ALA A 64 -6.792 -7.285 -4.717 1.00 0.00 C ATOM 944 O ALA A 64 -7.832 -7.781 -4.331 1.00 0.00 O ATOM 945 CB ALA A 64 -5.363 -6.706 -2.733 1.00 0.00 C ATOM 0 H ALA A 64 -3.916 -6.211 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.415 -8.609 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.150 -6.998 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.390 -6.871 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.472 -5.650 -2.982 1.00 0.00 H new ATOM 951 N GLY A 65 -6.753 -6.499 -5.759 1.00 0.00 N ATOM 952 CA GLY A 65 -7.998 -6.193 -6.503 1.00 0.00 C ATOM 953 C GLY A 65 -8.395 -4.756 -6.211 1.00 0.00 C ATOM 954 O GLY A 65 -9.561 -4.419 -6.162 1.00 0.00 O ATOM 0 H GLY A 65 -5.909 -6.057 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.844 -6.333 -7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.795 -6.874 -6.204 1.00 0.00 H new ATOM 958 N TYR A 66 -7.428 -3.907 -6.007 1.00 0.00 N ATOM 959 CA TYR A 66 -7.741 -2.491 -5.700 1.00 0.00 C ATOM 960 C TYR A 66 -6.840 -1.561 -6.517 1.00 0.00 C ATOM 961 O TYR A 66 -5.821 -1.108 -6.035 1.00 0.00 O ATOM 962 CB TYR A 66 -7.457 -2.369 -4.203 1.00 0.00 C ATOM 963 CG TYR A 66 -8.332 -3.353 -3.461 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.681 -3.473 -3.808 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.796 -4.153 -2.440 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.498 -4.392 -3.139 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.615 -5.069 -1.770 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.964 -5.190 -2.120 1.00 0.00 C ATOM 969 OH TYR A 66 -10.770 -6.095 -1.460 1.00 0.00 O ATOM 0 H TYR A 66 -6.435 -4.136 -6.040 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.765 -2.212 -5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.405 -2.571 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.658 -1.353 -3.862 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.093 -2.856 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.754 -4.062 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.540 -4.485 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.205 -5.683 -0.982 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.710 -5.901 -1.659 1.00 0.00 H new ATOM 979 N PRO A 67 -7.249 -1.300 -7.735 1.00 0.00 N ATOM 980 CA PRO A 67 -6.467 -0.412 -8.621 1.00 0.00 C ATOM 981 C PRO A 67 -6.222 0.923 -7.919 1.00 0.00 C ATOM 982 O PRO A 67 -7.069 1.793 -7.904 1.00 0.00 O ATOM 983 CB PRO A 67 -7.387 -0.253 -9.836 1.00 0.00 C ATOM 984 CG PRO A 67 -8.609 -1.177 -9.652 1.00 0.00 C ATOM 985 CD PRO A 67 -8.504 -1.866 -8.283 1.00 0.00 C ATOM 0 HA PRO A 67 -5.483 -0.795 -8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.708 0.784 -9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.853 -0.509 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.532 -0.600 -9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.643 -1.921 -10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.361 -1.641 -7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.453 -2.951 -8.377 1.00 0.00 H new ATOM 993 N SER A 68 -5.079 1.078 -7.314 1.00 0.00 N ATOM 994 CA SER A 68 -4.796 2.349 -6.584 1.00 0.00 C ATOM 995 C SER A 68 -3.772 3.214 -7.321 1.00 0.00 C ATOM 996 O SER A 68 -3.469 3.004 -8.479 1.00 0.00 O ATOM 997 CB SER A 68 -4.226 1.908 -5.239 1.00 0.00 C ATOM 998 OG SER A 68 -2.883 1.475 -5.418 1.00 0.00 O ATOM 0 H SER A 68 -4.331 0.385 -7.292 1.00 0.00 H new ATOM 0 HA SER A 68 -5.697 2.956 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.263 2.733 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.828 1.101 -4.823 1.00 0.00 H new ATOM 0 HG SER A 68 -2.877 0.613 -5.885 1.00 0.00 H new ATOM 1004 N SER A 69 -3.243 4.192 -6.637 1.00 0.00 N ATOM 1005 CA SER A 69 -2.237 5.104 -7.245 1.00 0.00 C ATOM 1006 C SER A 69 -1.358 5.655 -6.129 1.00 0.00 C ATOM 1007 O SER A 69 -1.847 6.184 -5.153 1.00 0.00 O ATOM 1008 CB SER A 69 -3.049 6.222 -7.897 1.00 0.00 C ATOM 1009 OG SER A 69 -2.293 6.799 -8.953 1.00 0.00 O ATOM 0 H SER A 69 -3.471 4.400 -5.665 1.00 0.00 H new ATOM 0 HA SER A 69 -1.593 4.613 -7.975 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.989 5.827 -8.282 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.301 6.982 -7.158 1.00 0.00 H new ATOM 0 HG SER A 69 -2.813 7.515 -9.374 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.073 5.521 -6.241 1.00 0.00 N ATOM 1016 CA VAL A 70 0.807 6.017 -5.159 1.00 0.00 C ATOM 1017 C VAL A 70 1.297 7.414 -5.475 1.00 0.00 C ATOM 1018 O VAL A 70 1.287 7.844 -6.611 1.00 0.00 O ATOM 1019 CB VAL A 70 1.961 5.026 -5.133 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.598 4.947 -6.522 1.00 0.00 C ATOM 1021 CG2 VAL A 70 3.010 5.485 -4.117 1.00 0.00 C ATOM 0 H VAL A 70 0.405 5.091 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 70 0.299 6.083 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 70 1.586 4.043 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.425 4.237 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.853 4.617 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.971 5.931 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.836 4.774 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.384 6.469 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.558 5.540 -3.127 1.00 0.00 H new ATOM 1031 N LYS A 71 1.729 8.135 -4.484 1.00 0.00 N ATOM 1032 CA LYS A 71 2.214 9.511 -4.771 1.00 0.00 C ATOM 1033 C LYS A 71 3.279 9.944 -3.763 1.00 0.00 C ATOM 1034 O LYS A 71 3.195 11.001 -3.171 1.00 0.00 O ATOM 1035 CB LYS A 71 0.980 10.402 -4.664 1.00 0.00 C ATOM 1036 CG LYS A 71 0.364 10.245 -3.275 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.160 10.203 -3.394 1.00 0.00 C ATOM 1038 CE LYS A 71 -1.742 11.558 -2.988 1.00 0.00 C ATOM 1039 NZ LYS A 71 -3.043 11.239 -2.337 1.00 0.00 N ATOM 0 H LYS A 71 1.768 7.842 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 71 2.681 9.573 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.252 11.443 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.253 10.130 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.728 9.331 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.667 11.074 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.449 9.963 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.563 9.416 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.077 12.084 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.882 12.203 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.503 12.120 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.658 10.745 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.878 10.629 -1.511 1.00 0.00 H new ATOM 1053 N GLN A 72 4.283 9.140 -3.571 1.00 0.00 N ATOM 1054 CA GLN A 72 5.359 9.510 -2.608 1.00 0.00 C ATOM 1055 C GLN A 72 4.752 9.886 -1.255 1.00 0.00 C ATOM 1056 O GLN A 72 3.537 9.878 -1.149 1.00 0.00 O ATOM 1057 CB GLN A 72 6.052 10.720 -3.237 1.00 0.00 C ATOM 1058 CG GLN A 72 7.410 10.296 -3.800 1.00 0.00 C ATOM 1059 CD GLN A 72 7.413 10.463 -5.322 1.00 0.00 C ATOM 1060 OE1 GLN A 72 6.716 9.758 -6.025 1.00 0.00 O ATOM 1061 NE2 GLN A 72 8.177 11.372 -5.864 1.00 0.00 N ATOM 1062 OXT GLN A 72 5.514 10.180 -0.348 1.00 0.00 O ATOM 0 H GLN A 72 4.408 8.242 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 72 6.052 8.688 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.431 11.136 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.184 11.504 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.202 10.899 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.615 9.258 -3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.762 11.964 -5.274 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.189 11.490 -6.877 1.00 0.00 H new