USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 46 TYR OH : rot 30:sc= 0.867 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 141:sc= -0.486 (180deg=-3.06!) USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 THR OG1 : rot 173:sc= 0.235 USER MOD Set 3.2: A 31 ASN :FLIP amide:sc= -2.08! C(o=-5.5!,f=-1.8!) USER MOD Set 4.1: A 7 LYS NZ :NH3+ 142:sc= -1.33 (180deg=-1.78!) USER MOD Set 4.2: A 97 TYR OH : rot -167:sc=-0.00233 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= -0.0322 (180deg=-0.392) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 174:sc= 0.00392 USER MOD Single : A 16 GLN : amide:sc= -0.982 K(o=-0.98,f=-2.7!) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.211) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.155 K(o=-0.15,f=-0.93) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.11) USER MOD Single : A 28 THR OG1 : rot -150:sc= -1.21 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -2.86! F(o=-3.8,f=-2.9!) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -10.4! (180deg=-10.7!) USER MOD Single : A 40 THR OG1 : rot 74:sc= -0.139 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.692 F(o=-1.3,f=-0.69) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -3.18! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 52 ASN : amide:sc= -6.39! C(o=-6.4!,f=-6.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -5.51! C(o=-5.5!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0.507 (180deg=0.497) USER MOD Single : A 63 THR OG1 : rot 110:sc= -1.1 USER MOD Single : A 65 MET CE :methyl 168:sc= -1.29 (180deg=-1.46) USER MOD Single : A 70 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.635 (180deg=-1.38) USER MOD Single : A 73 LYS NZ :NH3+ 149:sc= -0.396 (180deg=-1.93!) USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.208) USER MOD Single : A 102 THR OG1 : rot -105:sc= 1.09 USER MOD Single : A 103 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.4!) USER MOD Single : A 500 HEC O2A : rot -60:sc= -2.9! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.286 0.870 -0.541 1.00 24.45 N ATOM 2 CA GLY A 1 2.367 0.317 -1.340 1.00 4.32 C ATOM 3 C GLY A 1 2.131 -1.167 -1.629 1.00 34.12 C ATOM 4 O GLY A 1 2.546 -2.027 -0.855 1.00 52.20 O ATOM 0 H1 GLY A 1 1.469 1.877 -0.359 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.388 0.769 -1.055 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.226 0.360 0.363 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.448 0.866 -2.278 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.314 0.443 -0.815 1.00 4.32 H new ATOM 8 N ASP A 2 1.467 -1.420 -2.747 1.00 42.55 N ATOM 9 CA ASP A 2 1.171 -2.786 -3.147 1.00 3.31 C ATOM 10 C ASP A 2 2.470 -3.488 -3.547 1.00 4.41 C ATOM 11 O ASP A 2 3.532 -2.868 -3.573 1.00 51.34 O ATOM 12 CB ASP A 2 0.230 -2.814 -4.353 1.00 52.41 C ATOM 13 CG ASP A 2 -0.876 -1.756 -4.335 1.00 63.04 C ATOM 14 OD1 ASP A 2 -1.998 -2.012 -3.873 1.00 4.01 O ATOM 15 OD2 ASP A 2 -0.544 -0.611 -4.828 1.00 63.42 O1- ATOM 0 H ASP A 2 1.126 -0.704 -3.388 1.00 42.55 H new ATOM 0 HA ASP A 2 0.695 -3.289 -2.305 1.00 3.31 H new ATOM 0 HB2 ASP A 2 0.821 -2.684 -5.259 1.00 52.41 H new ATOM 0 HB3 ASP A 2 -0.232 -3.800 -4.412 1.00 52.41 H new ATOM 21 N VAL A 3 2.343 -4.772 -3.845 1.00 75.13 N ATOM 22 CA VAL A 3 3.495 -5.566 -4.242 1.00 75.34 C ATOM 23 C VAL A 3 3.371 -5.932 -5.721 1.00 13.43 C ATOM 24 O VAL A 3 4.348 -5.862 -6.465 1.00 74.44 O ATOM 25 CB VAL A 3 3.625 -6.790 -3.332 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.251 -7.265 -2.853 1.00 34.45 C ATOM 27 CG2 VAL A 3 4.382 -7.918 -4.036 1.00 44.44 C ATOM 0 H VAL A 3 1.461 -5.283 -3.820 1.00 75.13 H new ATOM 0 HA VAL A 3 4.414 -4.991 -4.125 1.00 75.34 H new ATOM 0 HB VAL A 3 4.202 -6.497 -2.455 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.371 -8.136 -2.208 1.00 34.45 H new ATOM 0 HG12 VAL A 3 1.764 -6.465 -2.296 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.638 -7.533 -3.714 1.00 34.45 H new ATOM 0 HG21 VAL A 3 4.461 -8.776 -3.368 1.00 44.44 H new ATOM 0 HG22 VAL A 3 3.844 -8.209 -4.938 1.00 44.44 H new ATOM 0 HG23 VAL A 3 5.381 -7.574 -4.304 1.00 44.44 H new ATOM 37 N GLU A 4 2.162 -6.315 -6.106 1.00 51.25 N ATOM 38 CA GLU A 4 1.899 -6.691 -7.483 1.00 54.55 C ATOM 39 C GLU A 4 2.353 -5.582 -8.433 1.00 41.14 C ATOM 40 O GLU A 4 2.789 -5.856 -9.551 1.00 54.03 O ATOM 41 CB GLU A 4 0.418 -7.017 -7.689 1.00 30.12 C ATOM 42 CG GLU A 4 0.079 -8.404 -7.138 1.00 30.34 C ATOM 43 CD GLU A 4 0.507 -8.531 -5.675 1.00 64.34 C ATOM 44 OE1 GLU A 4 1.597 -9.050 -5.389 1.00 52.43 O ATOM 45 OE2 GLU A 4 -0.339 -8.067 -4.817 1.00 73.12 O1- ATOM 0 H GLU A 4 1.354 -6.373 -5.487 1.00 51.25 H new ATOM 0 HA GLU A 4 2.471 -7.591 -7.708 1.00 54.55 H new ATOM 0 HB2 GLU A 4 -0.196 -6.265 -7.193 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.177 -6.975 -8.751 1.00 30.12 H new ATOM 0 HG2 GLU A 4 -0.993 -8.582 -7.224 1.00 30.34 H new ATOM 0 HG3 GLU A 4 0.577 -9.168 -7.734 1.00 30.34 H new ATOM 53 N LYS A 5 2.237 -4.352 -7.956 1.00 75.51 N ATOM 54 CA LYS A 5 2.631 -3.200 -8.749 1.00 13.03 C ATOM 55 C LYS A 5 4.153 -3.185 -8.897 1.00 44.51 C ATOM 56 O LYS A 5 4.679 -2.666 -9.880 1.00 62.31 O ATOM 57 CB LYS A 5 2.060 -1.914 -8.146 1.00 32.11 C ATOM 58 CG LYS A 5 0.661 -1.627 -8.695 1.00 40.51 C ATOM 59 CD LYS A 5 0.730 -1.126 -10.139 1.00 51.43 C ATOM 60 CE LYS A 5 -0.671 -0.979 -10.737 1.00 34.33 C ATOM 61 NZ LYS A 5 -1.515 -0.124 -9.872 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.875 -4.128 -7.029 1.00 75.51 H new ATOM 0 HA LYS A 5 2.213 -3.268 -9.753 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.017 -2.004 -7.061 1.00 32.11 H new ATOM 0 HB3 LYS A 5 2.722 -1.077 -8.371 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.056 -2.532 -8.649 1.00 40.51 H new ATOM 0 HG3 LYS A 5 0.168 -0.882 -8.071 1.00 40.51 H new ATOM 0 HD2 LYS A 5 1.245 -0.166 -10.170 1.00 51.43 H new ATOM 0 HD3 LYS A 5 1.315 -1.821 -10.741 1.00 51.43 H new ATOM 0 HE2 LYS A 5 -0.604 -0.544 -11.734 1.00 34.33 H new ATOM 0 HE3 LYS A 5 -1.131 -1.961 -10.848 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 -2.158 0.441 -10.463 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 -2.072 -0.723 -9.229 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 -0.909 0.512 -9.315 1.00 61.11 H new ATOM 74 N GLY A 6 4.819 -3.762 -7.908 1.00 33.14 N ATOM 75 CA GLY A 6 6.271 -3.822 -7.916 1.00 41.25 C ATOM 76 C GLY A 6 6.759 -5.189 -8.401 1.00 61.35 C ATOM 77 O GLY A 6 7.940 -5.358 -8.701 1.00 72.04 O ATOM 0 H GLY A 6 4.379 -4.193 -7.095 1.00 33.14 H new ATOM 0 HA2 GLY A 6 6.668 -3.039 -8.563 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.652 -3.630 -6.913 1.00 41.25 H new ATOM 81 N LYS A 7 5.827 -6.128 -8.462 1.00 54.25 N ATOM 82 CA LYS A 7 6.149 -7.474 -8.904 1.00 13.43 C ATOM 83 C LYS A 7 6.350 -7.474 -10.421 1.00 11.22 C ATOM 84 O LYS A 7 7.200 -8.196 -10.938 1.00 40.24 O ATOM 85 CB LYS A 7 5.085 -8.464 -8.425 1.00 12.01 C ATOM 86 CG LYS A 7 5.522 -9.907 -8.686 1.00 61.14 C ATOM 87 CD LYS A 7 4.998 -10.844 -7.597 1.00 21.42 C ATOM 88 CE LYS A 7 5.153 -12.309 -8.012 1.00 53.44 C ATOM 89 NZ LYS A 7 6.467 -12.527 -8.658 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.849 -5.983 -8.213 1.00 54.25 H new ATOM 0 HA LYS A 7 7.086 -7.807 -8.458 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.904 -8.322 -7.359 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.143 -8.267 -8.937 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.153 -10.232 -9.659 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.610 -9.960 -8.724 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.540 -10.666 -6.668 1.00 21.42 H new ATOM 0 HD3 LYS A 7 3.948 -10.627 -7.400 1.00 21.42 H new ATOM 0 HE2 LYS A 7 5.059 -12.953 -7.138 1.00 53.44 H new ATOM 0 HE3 LYS A 7 4.353 -12.586 -8.699 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 6.846 -13.451 -8.370 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 6.353 -12.506 -9.692 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 7.126 -11.777 -8.367 1.00 74.43 H new ATOM 102 N LYS A 8 5.553 -6.653 -11.091 1.00 45.33 N ATOM 103 CA LYS A 8 5.633 -6.549 -12.538 1.00 12.01 C ATOM 104 C LYS A 8 6.951 -5.875 -12.925 1.00 54.24 C ATOM 105 O LYS A 8 7.627 -6.314 -13.853 1.00 40.24 O ATOM 106 CB LYS A 8 4.395 -5.842 -13.092 1.00 14.42 C ATOM 107 CG LYS A 8 3.228 -6.820 -13.246 1.00 34.03 C ATOM 108 CD LYS A 8 2.558 -7.091 -11.898 1.00 33.34 C ATOM 109 CE LYS A 8 1.608 -8.286 -11.988 1.00 60.43 C ATOM 110 NZ LYS A 8 2.353 -9.554 -11.821 1.00 31.43 N1+ ATOM 0 H LYS A 8 4.850 -6.054 -10.658 1.00 45.33 H new ATOM 0 HA LYS A 8 5.637 -7.540 -12.992 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.107 -5.029 -12.425 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.629 -5.395 -14.058 1.00 14.42 H new ATOM 0 HG2 LYS A 8 2.497 -6.412 -13.944 1.00 34.03 H new ATOM 0 HG3 LYS A 8 3.588 -7.757 -13.672 1.00 34.03 H new ATOM 0 HD2 LYS A 8 3.319 -7.283 -11.142 1.00 33.34 H new ATOM 0 HD3 LYS A 8 2.007 -6.207 -11.578 1.00 33.34 H new ATOM 0 HE2 LYS A 8 0.839 -8.205 -11.220 1.00 60.43 H new ATOM 0 HE3 LYS A 8 1.098 -8.281 -12.951 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 1.693 -10.355 -11.885 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 3.071 -9.636 -12.569 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 2.819 -9.563 -10.891 1.00 31.43 H new ATOM 123 N ILE A 9 7.277 -4.820 -12.192 1.00 72.22 N ATOM 124 CA ILE A 9 8.501 -4.082 -12.447 1.00 63.35 C ATOM 125 C ILE A 9 9.705 -4.986 -12.167 1.00 74.32 C ATOM 126 O ILE A 9 10.739 -4.865 -12.820 1.00 34.45 O ATOM 127 CB ILE A 9 8.515 -2.776 -11.648 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.343 -1.878 -12.047 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.860 -2.061 -11.791 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.977 -0.920 -10.912 1.00 3.44 C ATOM 0 H ILE A 9 6.714 -4.459 -11.422 1.00 72.22 H new ATOM 0 HA ILE A 9 8.558 -3.789 -13.495 1.00 63.35 H new ATOM 0 HB ILE A 9 8.390 -3.019 -10.593 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.604 -1.308 -12.939 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.480 -2.492 -12.302 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.844 -1.136 -11.214 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.656 -2.706 -11.420 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.040 -1.830 -12.841 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.141 -0.292 -11.221 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.694 -1.493 -10.029 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.835 -0.291 -10.676 1.00 3.44 H new ATOM 142 N PHE A 10 9.527 -5.870 -11.198 1.00 22.51 N ATOM 143 CA PHE A 10 10.585 -6.795 -10.825 1.00 30.30 C ATOM 144 C PHE A 10 10.763 -7.881 -11.886 1.00 54.03 C ATOM 145 O PHE A 10 11.830 -8.484 -11.990 1.00 62.33 O ATOM 146 CB PHE A 10 10.163 -7.449 -9.508 1.00 71.01 C ATOM 147 CG PHE A 10 11.050 -8.620 -9.083 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.317 -8.391 -8.644 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.573 -9.893 -9.144 1.00 65.44 C ATOM 150 CE1 PHE A 10 13.140 -9.478 -8.251 1.00 45.31 C ATOM 151 CE2 PHE A 10 11.396 -10.980 -8.750 1.00 63.41 C ATOM 152 CZ PHE A 10 12.664 -10.750 -8.312 1.00 72.24 C ATOM 0 H PHE A 10 8.666 -5.966 -10.659 1.00 22.51 H new ATOM 0 HA PHE A 10 11.530 -6.260 -10.729 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.172 -6.695 -8.721 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.135 -7.800 -9.601 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.697 -7.381 -8.595 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.567 -10.076 -9.493 1.00 65.44 H new ATOM 0 HE1 PHE A 10 14.146 -9.295 -7.903 1.00 45.31 H new ATOM 0 HE2 PHE A 10 11.016 -11.990 -8.798 1.00 63.41 H new ATOM 0 HZ PHE A 10 13.291 -11.577 -8.013 1.00 72.24 H new ATOM 162 N ILE A 11 9.702 -8.098 -12.650 1.00 5.51 N ATOM 163 CA ILE A 11 9.729 -9.101 -13.700 1.00 1.20 C ATOM 164 C ILE A 11 10.034 -8.425 -15.038 1.00 50.30 C ATOM 165 O ILE A 11 10.283 -9.099 -16.036 1.00 63.10 O ATOM 166 CB ILE A 11 8.429 -9.910 -13.701 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.243 -10.652 -12.377 1.00 73.50 C ATOM 168 CG2 ILE A 11 8.374 -10.857 -14.902 1.00 74.44 C ATOM 169 CD1 ILE A 11 6.774 -11.012 -12.151 1.00 31.21 C ATOM 0 H ILE A 11 8.818 -7.596 -12.562 1.00 5.51 H new ATOM 0 HA ILE A 11 10.526 -9.822 -13.518 1.00 1.20 H new ATOM 0 HB ILE A 11 7.595 -9.215 -13.800 1.00 12.30 H new ATOM 0 HG12 ILE A 11 8.847 -11.559 -12.377 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.599 -10.031 -11.555 1.00 73.50 H new ATOM 0 HG21 ILE A 11 7.441 -11.420 -14.879 1.00 74.44 H new ATOM 0 HG22 ILE A 11 8.426 -10.278 -15.824 1.00 74.44 H new ATOM 0 HG23 ILE A 11 9.216 -11.548 -14.859 1.00 74.44 H new ATOM 0 HD11 ILE A 11 6.670 -11.539 -11.202 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.176 -10.101 -12.128 1.00 31.21 H new ATOM 0 HD13 ILE A 11 6.428 -11.653 -12.962 1.00 31.21 H new ATOM 181 N MET A 12 10.003 -7.101 -15.016 1.00 24.33 N ATOM 182 CA MET A 12 10.274 -6.325 -16.215 1.00 1.20 C ATOM 183 C MET A 12 11.663 -5.685 -16.153 1.00 33.53 C ATOM 184 O MET A 12 12.121 -5.094 -17.128 1.00 42.35 O ATOM 185 CB MET A 12 9.214 -5.232 -16.366 1.00 60.40 C ATOM 186 CG MET A 12 7.993 -5.755 -17.127 1.00 23.04 C ATOM 187 SD MET A 12 8.322 -5.753 -18.881 1.00 15.25 S ATOM 188 CE MET A 12 6.830 -6.534 -19.476 1.00 65.42 C ATOM 0 H MET A 12 9.794 -6.545 -14.187 1.00 24.33 H new ATOM 0 HA MET A 12 10.242 -6.996 -17.074 1.00 1.20 H new ATOM 0 HB2 MET A 12 8.909 -4.877 -15.381 1.00 60.40 H new ATOM 0 HB3 MET A 12 9.639 -4.379 -16.895 1.00 60.40 H new ATOM 0 HG2 MET A 12 7.752 -6.765 -16.795 1.00 23.04 H new ATOM 0 HG3 MET A 12 7.125 -5.132 -16.911 1.00 23.04 H new ATOM 0 HE1 MET A 12 6.869 -6.613 -20.562 1.00 65.42 H new ATOM 0 HE2 MET A 12 6.743 -7.530 -19.043 1.00 65.42 H new ATOM 0 HE3 MET A 12 5.966 -5.936 -19.187 1.00 65.42 H new ATOM 198 N LYS A 13 12.292 -5.825 -14.996 1.00 62.15 N ATOM 199 CA LYS A 13 13.618 -5.268 -14.793 1.00 62.04 C ATOM 200 C LYS A 13 14.509 -6.314 -14.121 1.00 3.45 C ATOM 201 O LYS A 13 15.472 -6.790 -14.719 1.00 2.42 O ATOM 202 CB LYS A 13 13.534 -3.947 -14.024 1.00 42.23 C ATOM 203 CG LYS A 13 13.082 -2.808 -14.940 1.00 64.41 C ATOM 204 CD LYS A 13 12.674 -1.578 -14.125 1.00 24.41 C ATOM 205 CE LYS A 13 11.598 -0.770 -14.853 1.00 3.12 C ATOM 206 NZ LYS A 13 11.272 0.458 -14.096 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.908 -6.316 -14.189 1.00 62.15 H new ATOM 0 HA LYS A 13 14.078 -5.024 -15.751 1.00 62.04 H new ATOM 0 HB2 LYS A 13 12.836 -4.049 -13.193 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.507 -3.709 -13.595 1.00 42.23 H new ATOM 0 HG2 LYS A 13 13.889 -2.544 -15.624 1.00 64.41 H new ATOM 0 HG3 LYS A 13 12.242 -3.139 -15.551 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.301 -1.891 -13.150 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.547 -0.950 -13.946 1.00 24.41 H new ATOM 0 HE2 LYS A 13 11.946 -0.507 -15.852 1.00 3.12 H new ATOM 0 HE3 LYS A 13 10.701 -1.377 -14.977 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 10.540 0.995 -14.604 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 10.920 0.201 -13.152 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 12.126 1.043 -13.999 1.00 43.44 H new ATOM 219 N CYS A 14 14.156 -6.641 -12.887 1.00 12.24 N ATOM 220 CA CYS A 14 14.912 -7.622 -12.127 1.00 32.54 C ATOM 221 C CYS A 14 14.339 -9.009 -12.428 1.00 32.32 C ATOM 222 O CYS A 14 13.944 -9.733 -11.516 1.00 22.25 O ATOM 223 CB CYS A 14 14.897 -7.312 -10.629 1.00 14.53 C ATOM 224 SG CYS A 14 14.476 -5.582 -10.208 1.00 23.33 S ATOM 0 H CYS A 14 13.356 -6.244 -12.394 1.00 12.24 H new ATOM 0 HA CYS A 14 15.959 -7.589 -12.428 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.181 -7.974 -10.142 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.878 -7.544 -10.214 1.00 14.53 H new ATOM 229 N SER A 15 14.311 -9.335 -13.712 1.00 63.31 N ATOM 230 CA SER A 15 13.792 -10.622 -14.145 1.00 52.21 C ATOM 231 C SER A 15 14.938 -11.509 -14.635 1.00 14.32 C ATOM 232 O SER A 15 15.987 -11.010 -15.038 1.00 24.42 O ATOM 233 CB SER A 15 12.744 -10.451 -15.247 1.00 24.11 C ATOM 234 OG SER A 15 11.768 -11.489 -15.221 1.00 62.04 O ATOM 0 H SER A 15 14.639 -8.731 -14.466 1.00 63.31 H new ATOM 0 HA SER A 15 13.309 -11.101 -13.293 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.250 -9.486 -15.131 1.00 24.11 H new ATOM 0 HB3 SER A 15 13.238 -10.442 -16.219 1.00 24.11 H new ATOM 0 HG SER A 15 11.064 -11.293 -15.874 1.00 62.04 H new ATOM 240 N GLN A 16 14.698 -12.812 -14.584 1.00 3.25 N ATOM 241 CA GLN A 16 15.697 -13.775 -15.017 1.00 0.11 C ATOM 242 C GLN A 16 17.055 -13.448 -14.393 1.00 64.21 C ATOM 243 O GLN A 16 18.095 -13.824 -14.931 1.00 52.24 O ATOM 244 CB GLN A 16 15.791 -13.816 -16.543 1.00 55.01 C ATOM 245 CG GLN A 16 14.458 -14.239 -17.164 1.00 51.45 C ATOM 246 CD GLN A 16 14.108 -15.680 -16.784 1.00 65.25 C ATOM 247 OE1 GLN A 16 13.825 -15.997 -15.641 1.00 12.42 O ATOM 248 NE2 GLN A 16 14.144 -16.532 -17.805 1.00 43.12 N ATOM 0 H GLN A 16 13.826 -13.223 -14.249 1.00 3.25 H new ATOM 0 HA GLN A 16 15.392 -14.765 -14.677 1.00 0.11 H new ATOM 0 HB2 GLN A 16 16.076 -12.834 -16.920 1.00 55.01 H new ATOM 0 HB3 GLN A 16 16.574 -14.512 -16.844 1.00 55.01 H new ATOM 0 HG2 GLN A 16 13.667 -13.568 -16.828 1.00 51.45 H new ATOM 0 HG3 GLN A 16 14.513 -14.148 -18.249 1.00 51.45 H new ATOM 0 HE21 GLN A 16 14.389 -16.200 -18.738 1.00 43.12 H new ATOM 0 HE22 GLN A 16 13.927 -17.517 -17.655 1.00 43.12 H new ATOM 257 N CYS A 17 17.000 -12.750 -13.267 1.00 41.41 N ATOM 258 CA CYS A 17 18.213 -12.369 -12.564 1.00 75.41 C ATOM 259 C CYS A 17 18.052 -12.744 -11.090 1.00 51.53 C ATOM 260 O CYS A 17 18.729 -13.646 -10.598 1.00 52.44 O ATOM 261 CB CYS A 17 18.527 -10.883 -12.744 1.00 31.53 C ATOM 262 SG CYS A 17 19.537 -10.484 -14.219 1.00 22.31 S ATOM 0 H CYS A 17 16.135 -12.439 -12.825 1.00 41.41 H new ATOM 0 HA CYS A 17 19.064 -12.906 -12.983 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.588 -10.332 -12.804 1.00 31.53 H new ATOM 0 HB3 CYS A 17 19.049 -10.526 -11.856 1.00 31.53 H new ATOM 267 N HIS A 18 17.153 -12.034 -10.426 1.00 64.33 N ATOM 268 CA HIS A 18 16.894 -12.280 -9.018 1.00 50.04 C ATOM 269 C HIS A 18 15.852 -13.392 -8.875 1.00 45.23 C ATOM 270 O HIS A 18 15.241 -13.805 -9.859 1.00 13.43 O ATOM 271 CB HIS A 18 16.485 -10.989 -8.306 1.00 30.21 C ATOM 272 CG HIS A 18 17.633 -10.045 -8.040 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.454 -10.156 -6.931 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.089 -8.974 -8.751 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.359 -9.189 -6.982 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.131 -8.457 -8.110 1.00 4.41 N ATOM 0 H HIS A 18 16.594 -11.287 -10.838 1.00 64.33 H new ATOM 0 HA HIS A 18 17.808 -12.620 -8.531 1.00 50.04 H new ATOM 0 HB2 HIS A 18 15.737 -10.474 -8.909 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.010 -11.243 -7.358 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.376 -10.862 -6.199 1.00 53.33 H new ATOM 0 HD2 HIS A 18 17.673 -8.608 -9.678 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.140 -9.012 -6.257 1.00 1.34 H new ATOM 284 N THR A 19 15.682 -13.843 -7.641 1.00 3.13 N ATOM 285 CA THR A 19 14.724 -14.899 -7.355 1.00 10.30 C ATOM 286 C THR A 19 13.686 -14.417 -6.342 1.00 53.54 C ATOM 287 O THR A 19 12.497 -14.701 -6.481 1.00 63.55 O ATOM 288 CB THR A 19 15.504 -16.130 -6.889 1.00 22.40 C ATOM 289 OG1 THR A 19 16.300 -15.649 -5.811 1.00 12.31 O ATOM 290 CG2 THR A 19 16.526 -16.604 -7.924 1.00 53.02 C ATOM 0 H THR A 19 16.191 -13.497 -6.828 1.00 3.13 H new ATOM 0 HA THR A 19 14.158 -15.173 -8.246 1.00 10.30 H new ATOM 0 HB THR A 19 14.807 -16.939 -6.671 1.00 22.40 H new ATOM 0 HG1 THR A 19 16.750 -16.403 -5.375 1.00 12.31 H new ATOM 0 HG21 THR A 19 17.051 -17.480 -7.542 1.00 53.02 H new ATOM 0 HG22 THR A 19 16.013 -16.864 -8.850 1.00 53.02 H new ATOM 0 HG23 THR A 19 17.244 -15.807 -8.118 1.00 53.02 H new ATOM 298 N VAL A 20 14.171 -13.695 -5.343 1.00 23.12 N ATOM 299 CA VAL A 20 13.299 -13.170 -4.305 1.00 24.13 C ATOM 300 C VAL A 20 12.396 -14.291 -3.789 1.00 41.42 C ATOM 301 O VAL A 20 11.286 -14.035 -3.325 1.00 25.44 O ATOM 302 CB VAL A 20 12.516 -11.968 -4.839 1.00 32.22 C ATOM 303 CG1 VAL A 20 13.454 -10.943 -5.480 1.00 62.12 C ATOM 304 CG2 VAL A 20 11.433 -12.413 -5.823 1.00 12.44 C ATOM 0 H VAL A 20 15.157 -13.461 -5.230 1.00 23.12 H new ATOM 0 HA VAL A 20 13.885 -12.810 -3.459 1.00 24.13 H new ATOM 0 HB VAL A 20 12.023 -11.487 -3.994 1.00 32.22 H new ATOM 0 HG11 VAL A 20 12.872 -10.099 -5.851 1.00 62.12 H new ATOM 0 HG12 VAL A 20 14.170 -10.591 -4.738 1.00 62.12 H new ATOM 0 HG13 VAL A 20 13.989 -11.407 -6.309 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.892 -11.540 -6.187 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.896 -12.930 -6.664 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.739 -13.087 -5.320 1.00 12.44 H new ATOM 314 N GLU A 21 12.904 -15.510 -3.890 1.00 11.10 N ATOM 315 CA GLU A 21 12.157 -16.672 -3.439 1.00 25.04 C ATOM 316 C GLU A 21 13.021 -17.535 -2.518 1.00 12.30 C ATOM 317 O GLU A 21 14.241 -17.379 -2.479 1.00 52.20 O ATOM 318 CB GLU A 21 11.639 -17.486 -4.627 1.00 44.12 C ATOM 319 CG GLU A 21 12.763 -17.775 -5.625 1.00 55.24 C ATOM 320 CD GLU A 21 12.502 -19.078 -6.382 1.00 31.53 C ATOM 321 OE1 GLU A 21 12.524 -19.089 -7.622 1.00 42.20 O ATOM 322 OE2 GLU A 21 12.270 -20.106 -5.637 1.00 50.23 O1- ATOM 0 H GLU A 21 13.824 -15.719 -4.278 1.00 11.10 H new ATOM 0 HA GLU A 21 11.292 -16.326 -2.873 1.00 25.04 H new ATOM 0 HB2 GLU A 21 11.213 -18.424 -4.272 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.837 -16.940 -5.125 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.847 -16.950 -6.332 1.00 55.24 H new ATOM 0 HG3 GLU A 21 13.715 -17.841 -5.097 1.00 55.24 H new ATOM 330 N LYS A 22 12.357 -18.427 -1.799 1.00 73.14 N ATOM 331 CA LYS A 22 13.049 -19.315 -0.880 1.00 13.40 C ATOM 332 C LYS A 22 13.016 -20.742 -1.435 1.00 71.42 C ATOM 333 O LYS A 22 12.032 -21.458 -1.256 1.00 40.23 O ATOM 334 CB LYS A 22 12.466 -19.190 0.528 1.00 60.13 C ATOM 335 CG LYS A 22 12.347 -17.722 0.944 1.00 54.23 C ATOM 336 CD LYS A 22 11.456 -17.571 2.178 1.00 32.02 C ATOM 337 CE LYS A 22 9.977 -17.581 1.791 1.00 72.12 C ATOM 338 NZ LYS A 22 9.147 -18.055 2.923 1.00 5.33 N1+ ATOM 0 H LYS A 22 11.346 -18.554 -1.834 1.00 73.14 H new ATOM 0 HA LYS A 22 14.097 -19.030 -0.792 1.00 13.40 H new ATOM 0 HB2 LYS A 22 11.484 -19.662 0.562 1.00 60.13 H new ATOM 0 HB3 LYS A 22 13.100 -19.722 1.237 1.00 60.13 H new ATOM 0 HG2 LYS A 22 13.338 -17.319 1.155 1.00 54.23 H new ATOM 0 HG3 LYS A 22 11.935 -17.139 0.120 1.00 54.23 H new ATOM 0 HD2 LYS A 22 11.658 -18.382 2.878 1.00 32.02 H new ATOM 0 HD3 LYS A 22 11.695 -16.640 2.692 1.00 32.02 H new ATOM 0 HE2 LYS A 22 9.665 -16.578 1.498 1.00 72.12 H new ATOM 0 HE3 LYS A 22 9.826 -18.227 0.926 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 8.150 -17.821 2.744 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 9.248 -19.085 3.020 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 9.460 -17.592 3.800 1.00 5.33 H new ATOM 351 N GLY A 23 14.103 -21.110 -2.096 1.00 32.25 N ATOM 352 CA GLY A 23 14.211 -22.437 -2.678 1.00 1.23 C ATOM 353 C GLY A 23 14.905 -22.384 -4.040 1.00 60.40 C ATOM 354 O GLY A 23 15.457 -23.383 -4.499 1.00 40.12 O ATOM 0 H GLY A 23 14.917 -20.513 -2.242 1.00 32.25 H new ATOM 0 HA2 GLY A 23 14.770 -23.088 -2.006 1.00 1.23 H new ATOM 0 HA3 GLY A 23 13.217 -22.871 -2.789 1.00 1.23 H new ATOM 358 N GLY A 24 14.855 -21.208 -4.649 1.00 42.54 N ATOM 359 CA GLY A 24 15.472 -21.012 -5.949 1.00 13.42 C ATOM 360 C GLY A 24 16.996 -20.950 -5.830 1.00 24.43 C ATOM 361 O GLY A 24 17.524 -20.515 -4.808 1.00 31.23 O ATOM 0 H GLY A 24 14.396 -20.381 -4.266 1.00 42.54 H new ATOM 0 HA2 GLY A 24 15.189 -21.826 -6.616 1.00 13.42 H new ATOM 0 HA3 GLY A 24 15.101 -20.090 -6.396 1.00 13.42 H new ATOM 365 N LYS A 25 17.659 -21.392 -6.888 1.00 43.10 N ATOM 366 CA LYS A 25 19.111 -21.392 -6.915 1.00 25.50 C ATOM 367 C LYS A 25 19.614 -19.956 -7.077 1.00 31.53 C ATOM 368 O LYS A 25 18.823 -19.037 -7.289 1.00 63.34 O ATOM 369 CB LYS A 25 19.628 -22.348 -7.992 1.00 45.42 C ATOM 370 CG LYS A 25 19.755 -21.639 -9.341 1.00 33.12 C ATOM 371 CD LYS A 25 19.764 -22.647 -10.492 1.00 51.15 C ATOM 372 CE LYS A 25 19.587 -21.943 -11.839 1.00 20.45 C ATOM 373 NZ LYS A 25 19.761 -22.903 -12.952 1.00 61.34 N1+ ATOM 0 H LYS A 25 17.217 -21.753 -7.733 1.00 43.10 H new ATOM 0 HA LYS A 25 19.508 -21.766 -5.971 1.00 25.50 H new ATOM 0 HB2 LYS A 25 20.598 -22.746 -7.694 1.00 45.42 H new ATOM 0 HB3 LYS A 25 18.950 -23.196 -8.086 1.00 45.42 H new ATOM 0 HG2 LYS A 25 18.926 -20.943 -9.469 1.00 33.12 H new ATOM 0 HG3 LYS A 25 20.672 -21.050 -9.361 1.00 33.12 H new ATOM 0 HD2 LYS A 25 20.703 -23.201 -10.488 1.00 51.15 H new ATOM 0 HD3 LYS A 25 18.964 -23.374 -10.350 1.00 51.15 H new ATOM 0 HE2 LYS A 25 18.597 -21.491 -11.892 1.00 20.45 H new ATOM 0 HE3 LYS A 25 20.312 -21.134 -11.932 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 19.638 -22.409 -13.859 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 20.715 -23.315 -12.909 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 19.053 -23.660 -12.871 1.00 61.34 H new ATOM 386 N HIS A 26 20.927 -19.806 -6.970 1.00 35.31 N ATOM 387 CA HIS A 26 21.544 -18.498 -7.102 1.00 31.21 C ATOM 388 C HIS A 26 21.839 -18.215 -8.576 1.00 31.35 C ATOM 389 O HIS A 26 22.957 -18.430 -9.041 1.00 63.11 O ATOM 390 CB HIS A 26 22.788 -18.393 -6.217 1.00 60.42 C ATOM 391 CG HIS A 26 22.490 -18.372 -4.737 1.00 74.52 C ATOM 392 ND1 HIS A 26 22.189 -17.209 -4.049 1.00 53.11 N ATOM 393 CD2 HIS A 26 22.448 -19.383 -3.822 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.980 -17.517 -2.778 1.00 4.22 C ATOM 395 NE2 HIS A 26 22.140 -18.864 -2.639 1.00 45.54 N ATOM 0 H HIS A 26 21.580 -20.570 -6.793 1.00 35.31 H new ATOM 0 HA HIS A 26 20.854 -17.730 -6.752 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.446 -19.234 -6.432 1.00 60.42 H new ATOM 0 HB3 HIS A 26 23.333 -17.486 -6.480 1.00 60.42 H new ATOM 0 HD2 HIS A 26 22.634 -20.427 -4.025 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.727 -16.823 -1.990 1.00 4.22 H new ATOM 0 HE2 HIS A 26 22.040 -19.387 -1.769 1.00 45.54 H new ATOM 403 N LYS A 27 20.816 -17.739 -9.270 1.00 43.43 N ATOM 404 CA LYS A 27 20.952 -17.425 -10.682 1.00 42.03 C ATOM 405 C LYS A 27 21.910 -16.243 -10.848 1.00 2.45 C ATOM 406 O LYS A 27 22.605 -15.867 -9.906 1.00 22.32 O ATOM 407 CB LYS A 27 19.577 -17.194 -11.313 1.00 4.12 C ATOM 408 CG LYS A 27 19.111 -18.435 -12.079 1.00 44.14 C ATOM 409 CD LYS A 27 18.016 -18.077 -13.087 1.00 74.23 C ATOM 410 CE LYS A 27 16.927 -17.224 -12.433 1.00 2.05 C ATOM 411 NZ LYS A 27 15.754 -17.107 -13.329 1.00 22.44 N1+ ATOM 0 H LYS A 27 19.890 -17.563 -8.881 1.00 43.43 H new ATOM 0 HA LYS A 27 21.388 -18.267 -11.219 1.00 42.03 H new ATOM 0 HB2 LYS A 27 18.853 -16.948 -10.536 1.00 4.12 H new ATOM 0 HB3 LYS A 27 19.622 -16.340 -11.989 1.00 4.12 H new ATOM 0 HG2 LYS A 27 19.957 -18.885 -12.599 1.00 44.14 H new ATOM 0 HG3 LYS A 27 18.735 -19.180 -11.378 1.00 44.14 H new ATOM 0 HD2 LYS A 27 18.452 -17.535 -13.926 1.00 74.23 H new ATOM 0 HD3 LYS A 27 17.576 -18.989 -13.490 1.00 74.23 H new ATOM 0 HE2 LYS A 27 16.626 -17.671 -11.486 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.320 -16.233 -12.207 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 15.082 -16.419 -12.933 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.065 -16.787 -14.268 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 15.289 -18.033 -13.415 1.00 22.44 H new ATOM 424 N THR A 28 21.916 -15.693 -12.053 1.00 45.00 N ATOM 425 CA THR A 28 22.779 -14.562 -12.354 1.00 61.12 C ATOM 426 C THR A 28 22.844 -13.609 -11.160 1.00 45.43 C ATOM 427 O THR A 28 23.898 -13.045 -10.869 1.00 2.21 O ATOM 428 CB THR A 28 22.260 -13.901 -13.632 1.00 35.30 C ATOM 429 OG1 THR A 28 20.845 -14.049 -13.551 1.00 61.25 O ATOM 430 CG2 THR A 28 22.645 -14.679 -14.892 1.00 51.31 C ATOM 0 H THR A 28 21.338 -16.008 -12.832 1.00 45.00 H new ATOM 0 HA THR A 28 23.806 -14.882 -12.530 1.00 61.12 H new ATOM 0 HB THR A 28 22.651 -12.886 -13.699 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.470 -14.108 -14.454 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.252 -14.167 -15.770 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.731 -14.741 -14.964 1.00 51.31 H new ATOM 0 HG23 THR A 28 22.227 -15.684 -14.841 1.00 51.31 H new ATOM 438 N GLY A 29 21.705 -13.458 -10.500 1.00 10.45 N ATOM 439 CA GLY A 29 21.621 -12.582 -9.344 1.00 52.43 C ATOM 440 C GLY A 29 21.445 -13.390 -8.056 1.00 73.33 C ATOM 441 O GLY A 29 20.976 -14.526 -8.091 1.00 12.41 O ATOM 0 H GLY A 29 20.833 -13.928 -10.744 1.00 10.45 H new ATOM 0 HA2 GLY A 29 22.524 -11.975 -9.277 1.00 52.43 H new ATOM 0 HA3 GLY A 29 20.783 -11.895 -9.464 1.00 52.43 H new ATOM 445 N PRO A 30 21.843 -12.755 -6.921 1.00 64.11 N ATOM 446 CA PRO A 30 21.735 -13.402 -5.625 1.00 53.23 C ATOM 447 C PRO A 30 20.282 -13.426 -5.144 1.00 41.02 C ATOM 448 O PRO A 30 19.487 -12.565 -5.516 1.00 1.24 O ATOM 449 CB PRO A 30 22.650 -12.605 -4.710 1.00 21.01 C ATOM 450 CG PRO A 30 22.875 -11.272 -5.403 1.00 61.15 C ATOM 451 CD PRO A 30 22.403 -11.409 -6.842 1.00 30.43 C ATOM 0 HA PRO A 30 22.035 -14.450 -5.651 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.195 -12.463 -3.730 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.594 -13.127 -4.551 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.325 -10.480 -4.895 1.00 61.15 H new ATOM 0 HG3 PRO A 30 23.930 -10.999 -5.372 1.00 61.15 H new ATOM 0 HD2 PRO A 30 21.656 -10.654 -7.087 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.228 -11.281 -7.543 1.00 30.43 H new ATOM 459 N ASN A 31 19.981 -14.423 -4.324 1.00 42.21 N ATOM 460 CA ASN A 31 18.639 -14.571 -3.787 1.00 54.23 C ATOM 461 C ASN A 31 18.366 -13.444 -2.789 1.00 24.12 C ATOM 462 O ASN A 31 19.281 -12.721 -2.398 1.00 22.02 O ATOM 463 CB ASN A 31 18.483 -15.903 -3.050 1.00 1.42 C ATOM 464 CG ASN A 31 17.014 -16.318 -2.974 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.656 -17.215 -3.888 1.00 34.33 O flip ATOM 466 ND2 ASN A 31 16.254 -15.856 -2.137 1.00 24.23 N flip ATOM 0 H ASN A 31 20.644 -15.136 -4.019 1.00 42.21 H new ATOM 0 HA ASN A 31 17.938 -14.536 -4.621 1.00 54.23 H new ATOM 0 HB2 ASN A 31 19.057 -16.675 -3.562 1.00 1.42 H new ATOM 0 HB3 ASN A 31 18.893 -15.816 -2.044 1.00 1.42 H new ATOM 0 HD21 ASN A 31 16.594 -15.170 -1.463 1.00 24.23 H new ATOM 0 HD22 ASN A 31 15.280 -16.156 -2.112 1.00 24.23 H new ATOM 473 N LEU A 32 17.103 -13.328 -2.407 1.00 74.54 N ATOM 474 CA LEU A 32 16.698 -12.302 -1.462 1.00 5.51 C ATOM 475 C LEU A 32 15.659 -12.881 -0.500 1.00 71.53 C ATOM 476 O LEU A 32 14.515 -13.119 -0.884 1.00 22.25 O ATOM 477 CB LEU A 32 16.219 -11.051 -2.203 1.00 14.14 C ATOM 478 CG LEU A 32 17.061 -10.620 -3.406 1.00 30.32 C ATOM 479 CD1 LEU A 32 16.536 -11.251 -4.696 1.00 72.11 C ATOM 480 CD2 LEU A 32 17.139 -9.096 -3.504 1.00 23.23 C ATOM 0 H LEU A 32 16.346 -13.928 -2.735 1.00 74.54 H new ATOM 0 HA LEU A 32 17.548 -11.983 -0.859 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.198 -11.223 -2.543 1.00 14.14 H new ATOM 0 HB3 LEU A 32 16.184 -10.224 -1.494 1.00 14.14 H new ATOM 0 HG LEU A 32 18.078 -10.985 -3.259 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.152 -10.929 -5.536 1.00 72.11 H new ATOM 0 HD12 LEU A 32 16.576 -12.337 -4.612 1.00 72.11 H new ATOM 0 HD13 LEU A 32 15.505 -10.938 -4.861 1.00 72.11 H new ATOM 0 HD21 LEU A 32 17.743 -8.817 -4.367 1.00 23.23 H new ATOM 0 HD22 LEU A 32 16.135 -8.687 -3.616 1.00 23.23 H new ATOM 0 HD23 LEU A 32 17.595 -8.696 -2.598 1.00 23.23 H new ATOM 492 N HIS A 33 16.094 -13.091 0.734 1.00 14.50 N ATOM 493 CA HIS A 33 15.217 -13.639 1.754 1.00 13.44 C ATOM 494 C HIS A 33 15.024 -12.610 2.871 1.00 62.54 C ATOM 495 O HIS A 33 13.921 -12.106 3.071 1.00 23.12 O ATOM 496 CB HIS A 33 15.749 -14.979 2.267 1.00 5.43 C ATOM 497 CG HIS A 33 14.843 -15.657 3.266 1.00 22.13 C ATOM 498 ND1 HIS A 33 14.174 -15.159 4.345 1.00 13.25 N flip ATOM 499 CD2 HIS A 33 14.544 -17.008 3.212 1.00 23.11 C flip ATOM 500 CE1 HIS A 33 13.503 -16.151 4.917 1.00 64.43 C flip ATOM 501 NE2 HIS A 33 13.731 -17.298 4.216 1.00 50.42 N flip ATOM 0 H HIS A 33 17.043 -12.891 1.050 1.00 14.50 H new ATOM 0 HA HIS A 33 14.237 -13.845 1.323 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.902 -15.646 1.419 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.724 -14.819 2.726 1.00 5.43 H new ATOM 0 HD2 HIS A 33 14.912 -17.707 2.475 1.00 23.11 H new ATOM 0 HE1 HIS A 33 12.879 -16.064 5.794 1.00 64.43 H new ATOM 0 HE2 HIS A 33 13.344 -18.217 4.428 1.00 50.42 H new ATOM 509 N GLY A 34 16.115 -12.332 3.569 1.00 75.21 N ATOM 510 CA GLY A 34 16.081 -11.373 4.660 1.00 51.24 C ATOM 511 C GLY A 34 16.669 -10.029 4.228 1.00 41.32 C ATOM 512 O GLY A 34 17.296 -9.336 5.027 1.00 23.54 O ATOM 0 H GLY A 34 17.028 -12.754 3.400 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.053 -11.233 4.994 1.00 51.24 H new ATOM 0 HA3 GLY A 34 16.642 -11.763 5.509 1.00 51.24 H new ATOM 516 N LEU A 35 16.444 -9.701 2.964 1.00 32.14 N ATOM 517 CA LEU A 35 16.945 -8.452 2.415 1.00 14.33 C ATOM 518 C LEU A 35 16.768 -7.338 3.450 1.00 14.32 C ATOM 519 O LEU A 35 17.644 -6.490 3.609 1.00 23.33 O ATOM 520 CB LEU A 35 16.279 -8.152 1.071 1.00 1.34 C ATOM 521 CG LEU A 35 16.621 -6.801 0.439 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.848 -6.917 -0.469 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.414 -6.220 -0.300 1.00 20.03 C ATOM 0 H LEU A 35 15.922 -10.278 2.305 1.00 32.14 H new ATOM 0 HA LEU A 35 18.012 -8.529 2.206 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.553 -8.939 0.369 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.198 -8.205 1.204 1.00 1.34 H new ATOM 0 HG LEU A 35 16.875 -6.104 1.238 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.071 -5.944 -0.906 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.703 -7.256 0.116 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.645 -7.634 -1.264 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.684 -5.260 -0.740 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.105 -6.906 -1.089 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.591 -6.079 0.401 1.00 20.03 H new ATOM 535 N PHE A 36 15.630 -7.378 4.127 1.00 5.35 N ATOM 536 CA PHE A 36 15.327 -6.384 5.142 1.00 22.24 C ATOM 537 C PHE A 36 15.812 -6.841 6.519 1.00 61.41 C ATOM 538 O PHE A 36 15.101 -7.553 7.227 1.00 2.04 O ATOM 539 CB PHE A 36 13.806 -6.228 5.176 1.00 52.13 C ATOM 540 CG PHE A 36 13.269 -5.156 4.225 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.131 -5.431 2.900 1.00 33.42 C ATOM 542 CD2 PHE A 36 12.930 -3.929 4.704 1.00 23.43 C ATOM 543 CE1 PHE A 36 12.632 -4.436 2.017 1.00 1.43 C ATOM 544 CE2 PHE A 36 12.432 -2.935 3.821 1.00 12.33 C ATOM 545 CZ PHE A 36 12.294 -3.209 2.497 1.00 2.54 C ATOM 0 H PHE A 36 14.906 -8.084 3.992 1.00 5.35 H new ATOM 0 HA PHE A 36 15.827 -5.445 4.904 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.347 -7.184 4.925 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.499 -5.984 6.193 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.401 -6.405 2.519 1.00 33.42 H new ATOM 0 HD2 PHE A 36 13.040 -3.711 5.756 1.00 23.43 H new ATOM 0 HE1 PHE A 36 12.521 -4.654 0.965 1.00 1.43 H new ATOM 0 HE2 PHE A 36 12.163 -1.961 4.202 1.00 12.33 H new ATOM 0 HZ PHE A 36 11.916 -2.452 1.826 1.00 2.54 H new ATOM 555 N GLY A 37 17.020 -6.413 6.859 1.00 15.13 N ATOM 556 CA GLY A 37 17.607 -6.769 8.139 1.00 44.23 C ATOM 557 C GLY A 37 18.937 -7.501 7.946 1.00 13.23 C ATOM 558 O GLY A 37 19.549 -7.948 8.915 1.00 33.14 O ATOM 0 H GLY A 37 17.607 -5.823 6.270 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.766 -5.869 8.734 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.917 -7.402 8.697 1.00 44.23 H new ATOM 562 N ARG A 38 19.345 -7.600 6.690 1.00 71.12 N ATOM 563 CA ARG A 38 20.590 -8.270 6.358 1.00 72.15 C ATOM 564 C ARG A 38 21.664 -7.244 5.991 1.00 53.24 C ATOM 565 O ARG A 38 21.356 -6.078 5.748 1.00 74.14 O ATOM 566 CB ARG A 38 20.400 -9.240 5.189 1.00 13.11 C ATOM 567 CG ARG A 38 20.006 -8.491 3.915 1.00 61.12 C ATOM 568 CD ARG A 38 20.274 -9.343 2.673 1.00 23.15 C ATOM 569 NE ARG A 38 19.552 -10.631 2.777 1.00 44.20 N ATOM 570 CZ ARG A 38 19.588 -11.598 1.835 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.314 -11.431 0.710 1.00 2.45 N ATOM 572 NH2 ARG A 38 18.904 -12.709 2.033 1.00 43.34 N1+ ATOM 0 H ARG A 38 18.835 -7.227 5.889 1.00 71.12 H new ATOM 0 HA ARG A 38 20.906 -8.834 7.235 1.00 72.15 H new ATOM 0 HB2 ARG A 38 21.323 -9.795 5.018 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.630 -9.970 5.439 1.00 13.11 H new ATOM 0 HG2 ARG A 38 18.950 -8.225 3.957 1.00 61.12 H new ATOM 0 HG3 ARG A 38 20.567 -7.559 3.849 1.00 61.12 H new ATOM 0 HD2 ARG A 38 19.953 -8.808 1.779 1.00 23.15 H new ATOM 0 HD3 ARG A 38 21.344 -9.524 2.570 1.00 23.15 H new ATOM 0 HE ARG A 38 18.992 -10.799 3.613 1.00 44.20 H new ATOM 0 HH11 ARG A 38 20.841 -10.570 0.566 1.00 2.45 H new ATOM 0 HH12 ARG A 38 20.336 -12.166 0.003 1.00 2.45 H new ATOM 0 HH21 ARG A 38 18.359 -12.827 2.887 1.00 43.34 H new ATOM 0 HH22 ARG A 38 18.920 -13.450 1.332 1.00 43.34 H new ATOM 585 N LYS A 39 22.902 -7.714 5.962 1.00 1.25 N ATOM 586 CA LYS A 39 24.023 -6.852 5.629 1.00 23.04 C ATOM 587 C LYS A 39 24.352 -7.003 4.142 1.00 30.04 C ATOM 588 O LYS A 39 23.672 -7.733 3.423 1.00 3.20 O ATOM 589 CB LYS A 39 25.210 -7.135 6.552 1.00 65.41 C ATOM 590 CG LYS A 39 25.204 -6.191 7.757 1.00 52.45 C ATOM 591 CD LYS A 39 23.833 -6.178 8.435 1.00 54.13 C ATOM 592 CE LYS A 39 23.612 -7.455 9.249 1.00 12.24 C ATOM 593 NZ LYS A 39 23.432 -8.616 8.351 1.00 2.13 N1+ ATOM 0 H LYS A 39 23.154 -8.682 6.164 1.00 1.25 H new ATOM 0 HA LYS A 39 23.762 -5.807 5.795 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.170 -8.169 6.895 1.00 65.41 H new ATOM 0 HB3 LYS A 39 26.142 -7.018 5.999 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.965 -6.504 8.472 1.00 52.45 H new ATOM 0 HG3 LYS A 39 25.464 -5.183 7.435 1.00 52.45 H new ATOM 0 HD2 LYS A 39 23.754 -5.308 9.087 1.00 54.13 H new ATOM 0 HD3 LYS A 39 23.051 -6.083 7.681 1.00 54.13 H new ATOM 0 HE2 LYS A 39 24.464 -7.626 9.908 1.00 12.24 H new ATOM 0 HE3 LYS A 39 22.735 -7.340 9.886 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 22.944 -9.378 8.863 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 22.864 -8.333 7.527 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 24.362 -8.955 8.031 1.00 2.13 H new ATOM 606 N THR A 40 25.394 -6.299 3.725 1.00 35.13 N ATOM 607 CA THR A 40 25.821 -6.344 2.337 1.00 75.44 C ATOM 608 C THR A 40 26.864 -7.446 2.136 1.00 43.11 C ATOM 609 O THR A 40 27.994 -7.329 2.608 1.00 72.31 O ATOM 610 CB THR A 40 26.325 -4.952 1.951 1.00 74.21 C ATOM 611 OG1 THR A 40 27.072 -4.526 3.087 1.00 42.25 O ATOM 612 CG2 THR A 40 25.193 -3.929 1.844 1.00 52.34 C ATOM 0 H THR A 40 25.955 -5.694 4.324 1.00 35.13 H new ATOM 0 HA THR A 40 24.992 -6.599 1.676 1.00 75.44 H new ATOM 0 HB THR A 40 26.854 -5.008 1.000 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.920 -5.016 3.123 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.605 -2.958 1.568 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.482 -4.251 1.083 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.684 -3.847 2.805 1.00 52.34 H new ATOM 620 N GLY A 41 26.448 -8.489 1.434 1.00 61.55 N ATOM 621 CA GLY A 41 27.332 -9.610 1.165 1.00 62.50 C ATOM 622 C GLY A 41 27.190 -10.691 2.239 1.00 21.13 C ATOM 623 O GLY A 41 28.186 -11.252 2.696 1.00 23.11 O ATOM 0 H GLY A 41 25.510 -8.582 1.043 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.102 -10.032 0.187 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.365 -9.263 1.128 1.00 62.50 H new ATOM 627 N GLN A 42 25.946 -10.951 2.610 1.00 20.11 N ATOM 628 CA GLN A 42 25.661 -11.954 3.622 1.00 50.44 C ATOM 629 C GLN A 42 25.346 -13.298 2.963 1.00 23.41 C ATOM 630 O GLN A 42 25.649 -14.353 3.518 1.00 22.22 O ATOM 631 CB GLN A 42 24.514 -11.507 4.530 1.00 22.15 C ATOM 632 CG GLN A 42 25.017 -10.564 5.625 1.00 43.33 C ATOM 633 CD GLN A 42 26.145 -11.212 6.430 1.00 74.22 C ATOM 634 OE1 GLN A 42 27.365 -10.860 6.031 1.00 53.24 O flip ATOM 635 NE2 GLN A 42 25.924 -11.980 7.352 1.00 55.35 N flip ATOM 0 H GLN A 42 25.123 -10.485 2.228 1.00 20.11 H new ATOM 0 HA GLN A 42 26.547 -12.075 4.245 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.750 -11.006 3.936 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.044 -12.379 4.984 1.00 22.15 H new ATOM 0 HG2 GLN A 42 25.372 -9.636 5.176 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.194 -10.302 6.290 1.00 43.33 H new ATOM 0 HE21 GLN A 42 24.963 -12.208 7.607 1.00 55.35 H new ATOM 0 HE22 GLN A 42 26.700 -12.394 7.868 1.00 55.35 H new ATOM 644 N ALA A 43 24.742 -13.217 1.786 1.00 70.23 N ATOM 645 CA ALA A 43 24.384 -14.414 1.044 1.00 30.12 C ATOM 646 C ALA A 43 25.502 -15.449 1.181 1.00 64.14 C ATOM 647 O ALA A 43 26.517 -15.366 0.489 1.00 13.20 O ATOM 648 CB ALA A 43 24.104 -14.046 -0.415 1.00 22.12 C ATOM 0 H ALA A 43 24.492 -12.341 1.328 1.00 70.23 H new ATOM 0 HA ALA A 43 23.474 -14.858 1.448 1.00 30.12 H new ATOM 0 HB1 ALA A 43 23.835 -14.944 -0.972 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.281 -13.332 -0.459 1.00 22.12 H new ATOM 0 HB3 ALA A 43 24.996 -13.599 -0.855 1.00 22.12 H new ATOM 654 N PRO A 44 25.275 -16.423 2.101 1.00 21.12 N ATOM 655 CA PRO A 44 26.251 -17.473 2.338 1.00 3.52 C ATOM 656 C PRO A 44 26.243 -18.496 1.200 1.00 70.11 C ATOM 657 O PRO A 44 27.164 -19.303 1.080 1.00 13.44 O ATOM 658 CB PRO A 44 25.867 -18.073 3.680 1.00 43.33 C ATOM 659 CG PRO A 44 24.427 -17.656 3.926 1.00 50.30 C ATOM 660 CD PRO A 44 24.086 -16.552 2.939 1.00 14.51 C ATOM 0 HA PRO A 44 27.274 -17.098 2.364 1.00 3.52 H new ATOM 0 HB2 PRO A 44 25.962 -19.159 3.664 1.00 43.33 H new ATOM 0 HB3 PRO A 44 26.520 -17.708 4.472 1.00 43.33 H new ATOM 0 HG2 PRO A 44 23.756 -18.505 3.796 1.00 50.30 H new ATOM 0 HG3 PRO A 44 24.301 -17.305 4.950 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.209 -16.809 2.345 1.00 14.51 H new ATOM 0 HD3 PRO A 44 23.860 -15.617 3.453 1.00 14.51 H new ATOM 668 N GLY A 45 25.193 -18.430 0.395 1.00 63.41 N ATOM 669 CA GLY A 45 25.053 -19.341 -0.727 1.00 62.30 C ATOM 670 C GLY A 45 25.757 -18.792 -1.971 1.00 51.31 C ATOM 671 O GLY A 45 25.866 -19.482 -2.983 1.00 1.41 O ATOM 0 H GLY A 45 24.431 -17.760 0.498 1.00 63.41 H new ATOM 0 HA2 GLY A 45 25.473 -20.312 -0.466 1.00 62.30 H new ATOM 0 HA3 GLY A 45 23.996 -19.498 -0.943 1.00 62.30 H new ATOM 675 N TYR A 46 26.217 -17.555 -1.852 1.00 31.42 N ATOM 676 CA TYR A 46 26.909 -16.906 -2.953 1.00 33.33 C ATOM 677 C TYR A 46 27.573 -15.606 -2.493 1.00 21.45 C ATOM 678 O TYR A 46 26.889 -14.647 -2.139 1.00 53.01 O ATOM 679 CB TYR A 46 25.834 -16.576 -3.990 1.00 11.41 C ATOM 680 CG TYR A 46 26.384 -16.000 -5.296 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.582 -16.462 -5.803 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.684 -15.019 -5.967 1.00 42.12 C ATOM 683 CE1 TYR A 46 28.100 -15.920 -7.033 1.00 41.12 C ATOM 684 CE2 TYR A 46 26.203 -14.476 -7.197 1.00 4.30 C ATOM 685 CZ TYR A 46 27.385 -14.953 -7.669 1.00 64.21 C ATOM 686 OH TYR A 46 27.875 -14.442 -8.830 1.00 73.20 O ATOM 0 H TYR A 46 26.124 -16.985 -1.011 1.00 31.42 H new ATOM 0 HA TYR A 46 27.690 -17.554 -3.351 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.270 -17.481 -4.214 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.133 -15.862 -3.557 1.00 11.41 H new ATOM 0 HD1 TYR A 46 28.131 -17.230 -5.278 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.747 -14.658 -5.571 1.00 42.12 H new ATOM 0 HE1 TYR A 46 29.035 -16.273 -7.441 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.665 -13.707 -7.732 1.00 4.30 H new ATOM 0 HH TYR A 46 28.402 -15.127 -9.292 1.00 73.20 H new ATOM 696 N SER A 47 28.898 -15.617 -2.515 1.00 61.13 N ATOM 697 CA SER A 47 29.662 -14.451 -2.105 1.00 50.02 C ATOM 698 C SER A 47 29.778 -13.465 -3.268 1.00 61.25 C ATOM 699 O SER A 47 30.108 -13.857 -4.387 1.00 74.42 O ATOM 700 CB SER A 47 31.053 -14.851 -1.607 1.00 64.01 C ATOM 701 OG SER A 47 30.989 -15.638 -0.421 1.00 62.20 O ATOM 0 H SER A 47 29.461 -16.414 -2.810 1.00 61.13 H new ATOM 0 HA SER A 47 29.135 -13.970 -1.281 1.00 50.02 H new ATOM 0 HB2 SER A 47 31.570 -15.411 -2.386 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.641 -13.954 -1.415 1.00 64.01 H new ATOM 0 HG SER A 47 31.896 -15.874 -0.136 1.00 62.20 H new ATOM 707 N TYR A 48 29.501 -12.206 -2.965 1.00 23.43 N ATOM 708 CA TYR A 48 29.569 -11.161 -3.973 1.00 51.03 C ATOM 709 C TYR A 48 30.995 -10.621 -4.107 1.00 50.11 C ATOM 710 O TYR A 48 31.897 -11.055 -3.391 1.00 44.52 O ATOM 711 CB TYR A 48 28.656 -10.038 -3.478 1.00 20.35 C ATOM 712 CG TYR A 48 27.274 -10.513 -3.025 1.00 25.13 C ATOM 713 CD1 TYR A 48 26.824 -11.767 -3.386 1.00 3.33 C ATOM 714 CD2 TYR A 48 26.479 -9.689 -2.255 1.00 40.21 C ATOM 715 CE1 TYR A 48 25.523 -12.215 -2.959 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.178 -10.137 -1.828 1.00 74.50 C ATOM 717 CZ TYR A 48 24.764 -11.377 -2.201 1.00 31.14 C ATOM 718 OH TYR A 48 23.537 -11.801 -1.798 1.00 23.04 O ATOM 0 H TYR A 48 29.229 -11.885 -2.036 1.00 23.43 H new ATOM 0 HA TYR A 48 29.267 -11.547 -4.947 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.143 -9.527 -2.648 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.534 -9.305 -4.276 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.447 -12.412 -3.988 1.00 3.33 H new ATOM 0 HD2 TYR A 48 26.832 -8.708 -1.972 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.158 -13.194 -3.234 1.00 31.53 H new ATOM 0 HE2 TYR A 48 24.546 -9.502 -1.225 1.00 74.50 H new ATOM 0 HH TYR A 48 23.108 -11.101 -1.263 1.00 23.04 H new ATOM 728 N THR A 49 31.154 -9.683 -5.027 1.00 5.20 N ATOM 729 CA THR A 49 32.454 -9.078 -5.264 1.00 43.03 C ATOM 730 C THR A 49 32.954 -8.377 -3.999 1.00 11.41 C ATOM 731 O THR A 49 32.269 -8.368 -2.978 1.00 40.24 O ATOM 732 CB THR A 49 32.330 -8.143 -6.468 1.00 0.23 C ATOM 733 OG1 THR A 49 31.206 -7.325 -6.158 1.00 65.43 O ATOM 734 CG2 THR A 49 31.913 -8.882 -7.742 1.00 63.33 C ATOM 0 H THR A 49 30.404 -9.326 -5.619 1.00 5.20 H new ATOM 0 HA THR A 49 33.204 -9.833 -5.498 1.00 43.03 H new ATOM 0 HB THR A 49 33.282 -7.639 -6.635 1.00 0.23 H new ATOM 0 HG1 THR A 49 31.055 -6.687 -6.886 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.839 -8.173 -8.566 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.657 -9.642 -7.982 1.00 63.33 H new ATOM 0 HG23 THR A 49 30.945 -9.359 -7.586 1.00 63.33 H new ATOM 742 N ALA A 50 34.146 -7.806 -4.109 1.00 63.11 N ATOM 743 CA ALA A 50 34.745 -7.104 -2.988 1.00 4.40 C ATOM 744 C ALA A 50 34.262 -5.653 -2.983 1.00 24.52 C ATOM 745 O ALA A 50 34.776 -4.825 -2.232 1.00 65.45 O ATOM 746 CB ALA A 50 36.269 -7.211 -3.074 1.00 22.44 C ATOM 0 H ALA A 50 34.712 -7.816 -4.958 1.00 63.11 H new ATOM 0 HA ALA A 50 34.439 -7.556 -2.045 1.00 4.40 H new ATOM 0 HB1 ALA A 50 36.719 -6.684 -2.233 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.562 -8.260 -3.044 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.613 -6.765 -4.007 1.00 22.44 H new ATOM 752 N ALA A 51 33.279 -5.386 -3.832 1.00 22.13 N ATOM 753 CA ALA A 51 32.722 -4.049 -3.935 1.00 24.51 C ATOM 754 C ALA A 51 31.459 -3.960 -3.075 1.00 32.14 C ATOM 755 O ALA A 51 31.137 -2.897 -2.547 1.00 53.32 O ATOM 756 CB ALA A 51 32.451 -3.721 -5.405 1.00 73.13 C ATOM 0 H ALA A 51 32.855 -6.074 -4.454 1.00 22.13 H new ATOM 0 HA ALA A 51 33.429 -3.308 -3.561 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.033 -2.717 -5.483 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.384 -3.770 -5.967 1.00 73.13 H new ATOM 0 HB3 ALA A 51 31.743 -4.442 -5.814 1.00 73.13 H new ATOM 762 N ASN A 52 30.778 -5.091 -2.963 1.00 72.12 N ATOM 763 CA ASN A 52 29.557 -5.154 -2.176 1.00 72.03 C ATOM 764 C ASN A 52 29.866 -5.777 -0.813 1.00 44.33 C ATOM 765 O ASN A 52 29.348 -5.332 0.209 1.00 21.23 O ATOM 766 CB ASN A 52 28.502 -6.022 -2.865 1.00 71.24 C ATOM 767 CG ASN A 52 27.109 -5.744 -2.299 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.249 -5.172 -2.948 1.00 10.34 O ATOM 769 ND2 ASN A 52 26.934 -6.179 -1.054 1.00 51.41 N ATOM 0 H ASN A 52 31.048 -5.971 -3.403 1.00 72.12 H new ATOM 0 HA ASN A 52 29.173 -4.140 -2.066 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.509 -5.826 -3.937 1.00 71.24 H new ATOM 0 HB3 ASN A 52 28.749 -7.075 -2.732 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.038 -6.041 -0.587 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.696 -6.651 -0.567 1.00 51.41 H new ATOM 776 N LYS A 53 30.708 -6.800 -0.843 1.00 31.33 N ATOM 777 CA LYS A 53 31.092 -7.489 0.377 1.00 23.25 C ATOM 778 C LYS A 53 31.770 -6.499 1.325 1.00 40.10 C ATOM 779 O LYS A 53 31.502 -6.500 2.525 1.00 44.44 O ATOM 780 CB LYS A 53 31.947 -8.716 0.053 1.00 41.40 C ATOM 781 CG LYS A 53 32.006 -9.674 1.245 1.00 75.03 C ATOM 782 CD LYS A 53 33.226 -10.591 1.150 1.00 74.12 C ATOM 783 CE LYS A 53 33.000 -11.886 1.932 1.00 55.52 C ATOM 784 NZ LYS A 53 33.880 -12.962 1.421 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.135 -7.168 -1.693 1.00 31.33 H new ATOM 0 HA LYS A 53 30.211 -7.871 0.892 1.00 23.25 H new ATOM 0 HB2 LYS A 53 31.534 -9.233 -0.813 1.00 41.40 H new ATOM 0 HB3 LYS A 53 32.955 -8.401 -0.215 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.046 -9.104 2.173 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.097 -10.274 1.279 1.00 75.03 H new ATOM 0 HD2 LYS A 53 33.430 -10.824 0.105 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.104 -10.076 1.539 1.00 74.12 H new ATOM 0 HE2 LYS A 53 33.199 -11.718 2.990 1.00 55.52 H new ATOM 0 HE3 LYS A 53 31.957 -12.191 1.848 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 33.713 -13.834 1.963 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 33.671 -13.134 0.417 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 34.874 -12.675 1.524 1.00 13.54 H new ATOM 797 N ASN A 54 32.636 -5.677 0.750 1.00 32.11 N ATOM 798 CA ASN A 54 33.355 -4.683 1.530 1.00 62.53 C ATOM 799 C ASN A 54 32.356 -3.693 2.132 1.00 21.52 C ATOM 800 O ASN A 54 32.695 -2.944 3.047 1.00 54.24 O ATOM 801 CB ASN A 54 34.331 -3.896 0.653 1.00 4.13 C ATOM 802 CG ASN A 54 33.582 -3.076 -0.400 1.00 23.22 C ATOM 803 OD1 ASN A 54 32.366 -3.102 -0.495 1.00 64.31 O ATOM 804 ND2 ASN A 54 34.373 -2.348 -1.182 1.00 31.23 N ATOM 0 H ASN A 54 32.856 -5.679 -0.246 1.00 32.11 H new ATOM 0 HA ASN A 54 33.910 -5.203 2.310 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.932 -3.233 1.276 1.00 4.13 H new ATOM 0 HB3 ASN A 54 35.020 -4.583 0.162 1.00 4.13 H new ATOM 0 HD21 ASN A 54 33.969 -1.765 -1.915 1.00 31.23 H new ATOM 0 HD22 ASN A 54 35.384 -2.372 -1.049 1.00 31.23 H new ATOM 811 N LYS A 55 31.145 -3.723 1.596 1.00 3.10 N ATOM 812 CA LYS A 55 30.095 -2.838 2.070 1.00 52.01 C ATOM 813 C LYS A 55 29.601 -3.323 3.434 1.00 71.13 C ATOM 814 O LYS A 55 29.645 -4.517 3.725 1.00 34.34 O ATOM 815 CB LYS A 55 28.986 -2.715 1.023 1.00 61.43 C ATOM 816 CG LYS A 55 28.245 -1.384 1.164 1.00 35.11 C ATOM 817 CD LYS A 55 29.034 -0.246 0.513 1.00 31.33 C ATOM 818 CE LYS A 55 28.376 1.108 0.792 1.00 31.13 C ATOM 819 NZ LYS A 55 28.773 2.098 -0.232 1.00 40.52 N1+ ATOM 0 H LYS A 55 30.867 -4.346 0.838 1.00 3.10 H new ATOM 0 HA LYS A 55 30.483 -1.829 2.212 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.414 -2.793 0.024 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.283 -3.540 1.134 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.261 -1.461 0.701 1.00 35.11 H new ATOM 0 HG3 LYS A 55 28.084 -1.163 2.219 1.00 35.11 H new ATOM 0 HD2 LYS A 55 30.056 -0.243 0.893 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.095 -0.410 -0.563 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.292 0.997 0.798 1.00 31.13 H new ATOM 0 HE3 LYS A 55 28.666 1.463 1.781 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.387 3.031 0.019 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.811 2.154 -0.277 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 28.401 1.807 -1.159 1.00 40.52 H new ATOM 832 N GLY A 56 29.143 -2.372 4.234 1.00 14.34 N ATOM 833 CA GLY A 56 28.642 -2.688 5.561 1.00 1.53 C ATOM 834 C GLY A 56 27.434 -1.817 5.912 1.00 71.44 C ATOM 835 O GLY A 56 27.549 -0.876 6.696 1.00 74.10 O ATOM 0 H GLY A 56 29.108 -1.382 3.989 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.362 -3.740 5.607 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.431 -2.536 6.297 1.00 1.53 H new ATOM 839 N ILE A 57 26.303 -2.163 5.315 1.00 74.01 N ATOM 840 CA ILE A 57 25.074 -1.424 5.555 1.00 43.32 C ATOM 841 C ILE A 57 23.891 -2.394 5.538 1.00 62.24 C ATOM 842 O ILE A 57 23.922 -3.406 4.839 1.00 3.42 O ATOM 843 CB ILE A 57 24.939 -0.271 4.559 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.703 -0.796 3.141 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.151 0.660 4.631 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.238 -1.186 2.937 1.00 32.33 C ATOM 0 H ILE A 57 26.211 -2.945 4.666 1.00 74.01 H new ATOM 0 HA ILE A 57 25.093 -0.961 6.541 1.00 43.32 H new ATOM 0 HB ILE A 57 24.064 0.318 4.834 1.00 40.53 H new ATOM 0 HG12 ILE A 57 24.984 -0.033 2.415 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.342 -1.660 2.958 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.030 1.471 3.913 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.232 1.074 5.636 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.055 0.099 4.395 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.098 -1.556 1.921 1.00 32.33 H new ATOM 0 HD12 ILE A 57 22.967 -1.967 3.648 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.604 -0.314 3.096 1.00 32.33 H new ATOM 858 N ILE A 58 22.874 -2.050 6.316 1.00 34.44 N ATOM 859 CA ILE A 58 21.682 -2.877 6.399 1.00 71.13 C ATOM 860 C ILE A 58 20.756 -2.547 5.227 1.00 61.15 C ATOM 861 O ILE A 58 20.372 -1.393 5.040 1.00 1.32 O ATOM 862 CB ILE A 58 21.020 -2.726 7.770 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.737 -3.573 8.822 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.526 -3.047 7.695 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.163 -4.991 8.867 1.00 42.52 C ATOM 0 H ILE A 58 22.851 -1.210 6.894 1.00 34.44 H new ATOM 0 HA ILE A 58 21.942 -3.932 6.312 1.00 71.13 H new ATOM 0 HB ILE A 58 21.110 -1.685 8.080 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.803 -3.615 8.596 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.637 -3.105 9.801 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.079 -2.932 8.683 1.00 13.54 H new ATOM 0 HG22 ILE A 58 19.042 -2.365 6.996 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.391 -4.073 7.353 1.00 13.54 H new ATOM 0 HD11 ILE A 58 21.690 -5.573 9.623 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.103 -4.947 9.117 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.287 -5.465 7.893 1.00 42.52 H new ATOM 877 N TRP A 59 20.421 -3.581 4.469 1.00 12.43 N ATOM 878 CA TRP A 59 19.547 -3.417 3.321 1.00 31.13 C ATOM 879 C TRP A 59 18.159 -3.026 3.836 1.00 62.44 C ATOM 880 O TRP A 59 17.399 -3.880 4.289 1.00 4.32 O ATOM 881 CB TRP A 59 19.530 -4.680 2.458 1.00 3.14 C ATOM 882 CG TRP A 59 20.626 -4.719 1.391 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.502 -5.702 1.144 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.929 -3.684 0.432 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.344 -5.378 0.100 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.984 -4.112 -0.348 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.331 -2.428 0.228 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.534 -3.346 -1.383 1.00 75.24 C ATOM 889 CZ3 TRP A 59 20.891 -1.674 -0.810 1.00 14.52 C ATOM 890 CH2 TRP A 59 21.953 -2.091 -1.604 1.00 62.15 C ATOM 0 H TRP A 59 20.740 -4.537 4.628 1.00 12.43 H new ATOM 0 HA TRP A 59 19.913 -2.625 2.668 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.636 -5.551 3.105 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.559 -4.761 1.970 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.544 -6.631 1.693 1.00 33.12 H new ATOM 0 HE1 TRP A 59 23.093 -5.960 -0.274 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.504 -2.073 0.825 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.361 -3.703 -1.978 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.468 -0.700 -1.008 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.328 -1.450 -2.388 1.00 62.15 H new ATOM 901 N GLY A 60 17.873 -1.735 3.749 1.00 60.12 N ATOM 902 CA GLY A 60 16.591 -1.221 4.200 1.00 61.54 C ATOM 903 C GLY A 60 15.784 -0.654 3.030 1.00 2.44 C ATOM 904 O GLY A 60 16.033 -0.999 1.876 1.00 64.10 O ATOM 0 H GLY A 60 18.507 -1.030 3.373 1.00 60.12 H new ATOM 0 HA2 GLY A 60 16.026 -2.018 4.684 1.00 61.54 H new ATOM 0 HA3 GLY A 60 16.750 -0.444 4.947 1.00 61.54 H new ATOM 908 N GLU A 61 14.836 0.206 3.369 1.00 1.02 N ATOM 909 CA GLU A 61 13.992 0.825 2.360 1.00 43.51 C ATOM 910 C GLU A 61 14.626 2.124 1.861 1.00 54.24 C ATOM 911 O GLU A 61 14.843 2.293 0.663 1.00 64.13 O ATOM 912 CB GLU A 61 12.584 1.075 2.903 1.00 4.31 C ATOM 913 CG GLU A 61 11.544 1.012 1.781 1.00 42.02 C ATOM 914 CD GLU A 61 10.295 1.816 2.146 1.00 40.13 C ATOM 915 OE1 GLU A 61 10.180 2.991 1.766 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.422 1.177 2.850 1.00 53.22 O1- ATOM 0 H GLU A 61 14.633 0.489 4.328 1.00 1.02 H new ATOM 0 HA GLU A 61 13.905 0.140 1.517 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.347 0.333 3.665 1.00 4.31 H new ATOM 0 HB3 GLU A 61 12.545 2.051 3.386 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.975 1.401 0.859 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.270 -0.026 1.592 1.00 42.02 H new ATOM 924 N ASP A 62 14.906 3.009 2.807 1.00 41.03 N ATOM 925 CA ASP A 62 15.511 4.289 2.479 1.00 11.04 C ATOM 926 C ASP A 62 16.799 4.052 1.689 1.00 64.11 C ATOM 927 O ASP A 62 17.280 4.946 0.995 1.00 4.51 O ATOM 928 CB ASP A 62 15.869 5.070 3.745 1.00 52.14 C ATOM 929 CG ASP A 62 14.683 5.713 4.466 1.00 62.42 C ATOM 930 OD1 ASP A 62 13.516 5.440 4.145 1.00 35.04 O ATOM 931 OD2 ASP A 62 14.998 6.538 5.406 1.00 62.51 O1- ATOM 0 H ASP A 62 14.725 2.865 3.800 1.00 41.03 H new ATOM 0 HA ASP A 62 14.792 4.862 1.894 1.00 11.04 H new ATOM 0 HB2 ASP A 62 16.375 4.397 4.438 1.00 52.14 H new ATOM 0 HB3 ASP A 62 16.582 5.851 3.482 1.00 52.14 H new ATOM 937 N THR A 63 17.322 2.841 1.821 1.00 73.22 N ATOM 938 CA THR A 63 18.545 2.475 1.129 1.00 3.24 C ATOM 939 C THR A 63 18.244 2.103 -0.324 1.00 11.02 C ATOM 940 O THR A 63 18.822 2.675 -1.248 1.00 1.20 O ATOM 941 CB THR A 63 19.217 1.349 1.918 1.00 40.22 C ATOM 942 OG1 THR A 63 18.201 0.357 2.039 1.00 4.21 O ATOM 943 CG2 THR A 63 19.521 1.748 3.363 1.00 44.33 C ATOM 0 H THR A 63 16.920 2.101 2.397 1.00 73.22 H new ATOM 0 HA THR A 63 19.238 3.315 1.080 1.00 3.24 H new ATOM 0 HB THR A 63 20.141 1.058 1.420 1.00 40.22 H new ATOM 0 HG1 THR A 63 18.432 -0.417 1.484 1.00 4.21 H new ATOM 0 HG21 THR A 63 19.997 0.914 3.878 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.190 2.608 3.370 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.593 2.007 3.872 1.00 44.33 H new ATOM 951 N LEU A 64 17.342 1.146 -0.481 1.00 10.45 N ATOM 952 CA LEU A 64 16.958 0.690 -1.807 1.00 43.40 C ATOM 953 C LEU A 64 16.498 1.888 -2.639 1.00 72.41 C ATOM 954 O LEU A 64 16.477 1.824 -3.868 1.00 42.34 O ATOM 955 CB LEU A 64 15.916 -0.426 -1.708 1.00 75.52 C ATOM 956 CG LEU A 64 16.367 -1.704 -0.998 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.171 -2.456 -0.411 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.198 -2.586 -1.931 1.00 20.25 C ATOM 0 H LEU A 64 16.866 0.673 0.287 1.00 10.45 H new ATOM 0 HA LEU A 64 17.813 0.252 -2.322 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.042 -0.034 -1.188 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.596 -0.688 -2.717 1.00 75.52 H new ATOM 0 HG LEU A 64 17.011 -1.423 -0.165 1.00 12.32 H new ATOM 0 HD11 LEU A 64 15.519 -3.360 0.088 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.658 -1.819 0.309 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.482 -2.726 -1.212 1.00 31.02 H new ATOM 0 HD21 LEU A 64 17.506 -3.488 -1.401 1.00 20.25 H new ATOM 0 HD22 LEU A 64 16.600 -2.862 -2.799 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.082 -2.038 -2.258 1.00 20.25 H new ATOM 970 N MET A 65 16.141 2.954 -1.938 1.00 14.04 N ATOM 971 CA MET A 65 15.683 4.165 -2.597 1.00 64.51 C ATOM 972 C MET A 65 16.804 4.797 -3.425 1.00 44.11 C ATOM 973 O MET A 65 16.709 4.875 -4.649 1.00 35.15 O ATOM 974 CB MET A 65 15.198 5.166 -1.547 1.00 75.32 C ATOM 975 CG MET A 65 13.700 5.002 -1.284 1.00 12.54 C ATOM 976 SD MET A 65 12.765 6.016 -2.416 1.00 72.52 S ATOM 977 CE MET A 65 11.952 4.747 -3.370 1.00 71.41 C ATOM 0 H MET A 65 16.160 3.004 -0.919 1.00 14.04 H new ATOM 0 HA MET A 65 14.865 3.903 -3.268 1.00 64.51 H new ATOM 0 HB2 MET A 65 15.752 5.022 -0.619 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.402 6.182 -1.886 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.415 3.956 -1.399 1.00 12.54 H new ATOM 0 HG3 MET A 65 13.470 5.283 -0.256 1.00 12.54 H new ATOM 0 HE1 MET A 65 11.168 5.196 -3.980 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.679 4.256 -4.017 1.00 71.41 H new ATOM 0 HE3 MET A 65 11.511 4.012 -2.697 1.00 71.41 H new ATOM 987 N GLU A 66 17.842 5.231 -2.724 1.00 20.23 N ATOM 988 CA GLU A 66 18.980 5.853 -3.379 1.00 4.35 C ATOM 989 C GLU A 66 19.717 4.832 -4.245 1.00 12.41 C ATOM 990 O GLU A 66 20.299 5.186 -5.269 1.00 31.41 O ATOM 991 CB GLU A 66 19.923 6.486 -2.353 1.00 2.12 C ATOM 992 CG GLU A 66 21.086 7.201 -3.046 1.00 74.21 C ATOM 993 CD GLU A 66 21.020 8.711 -2.808 1.00 11.01 C ATOM 994 OE1 GLU A 66 20.501 9.450 -3.658 1.00 62.03 O ATOM 995 OE2 GLU A 66 21.531 9.110 -1.693 1.00 61.41 O1- ATOM 0 H GLU A 66 17.918 5.164 -1.709 1.00 20.23 H new ATOM 0 HA GLU A 66 18.612 6.649 -4.026 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.372 7.195 -1.735 1.00 2.12 H new ATOM 0 HB3 GLU A 66 20.310 5.716 -1.686 1.00 2.12 H new ATOM 0 HG2 GLU A 66 22.032 6.811 -2.672 1.00 74.21 H new ATOM 0 HG3 GLU A 66 21.058 6.996 -4.116 1.00 74.21 H new ATOM 1003 N TYR A 67 19.668 3.583 -3.804 1.00 2.54 N ATOM 1004 CA TYR A 67 20.325 2.507 -4.527 1.00 70.14 C ATOM 1005 C TYR A 67 19.727 2.342 -5.925 1.00 15.44 C ATOM 1006 O TYR A 67 20.432 2.464 -6.924 1.00 20.34 O ATOM 1007 CB TYR A 67 20.064 1.235 -3.718 1.00 71.01 C ATOM 1008 CG TYR A 67 20.814 0.005 -4.233 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.136 0.114 -4.616 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.171 -1.213 -4.313 1.00 73.53 C ATOM 1011 CE1 TYR A 67 22.843 -1.043 -5.100 1.00 12.44 C ATOM 1012 CE2 TYR A 67 20.878 -2.370 -4.797 1.00 50.13 C ATOM 1013 CZ TYR A 67 22.179 -2.228 -5.167 1.00 70.00 C ATOM 1014 OH TYR A 67 22.847 -3.321 -5.624 1.00 1.15 O ATOM 0 H TYR A 67 19.183 3.292 -2.955 1.00 2.54 H new ATOM 0 HA TYR A 67 21.388 2.716 -4.645 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.347 1.412 -2.680 1.00 71.01 H new ATOM 0 HB3 TYR A 67 18.994 1.025 -3.725 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.640 1.067 -4.553 1.00 25.24 H new ATOM 0 HD2 TYR A 67 19.137 -1.299 -4.013 1.00 73.53 H new ATOM 0 HE1 TYR A 67 23.877 -0.972 -5.403 1.00 12.44 H new ATOM 0 HE2 TYR A 67 20.386 -3.329 -4.865 1.00 50.13 H new ATOM 0 HH TYR A 67 22.249 -4.097 -5.616 1.00 1.15 H new ATOM 1024 N LEU A 68 18.431 2.064 -5.950 1.00 3.24 N ATOM 1025 CA LEU A 68 17.730 1.880 -7.209 1.00 35.25 C ATOM 1026 C LEU A 68 17.871 3.146 -8.056 1.00 53.11 C ATOM 1027 O LEU A 68 17.845 3.082 -9.285 1.00 15.43 O ATOM 1028 CB LEU A 68 16.278 1.467 -6.958 1.00 63.11 C ATOM 1029 CG LEU A 68 16.031 -0.031 -6.770 1.00 65.23 C ATOM 1030 CD1 LEU A 68 16.969 -0.614 -5.711 1.00 12.31 C ATOM 1031 CD2 LEU A 68 14.561 -0.308 -6.448 1.00 71.44 C ATOM 0 H LEU A 68 17.849 1.962 -5.119 1.00 3.24 H new ATOM 0 HA LEU A 68 18.176 1.064 -7.778 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.921 1.988 -6.070 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.672 1.813 -7.796 1.00 63.11 H new ATOM 0 HG LEU A 68 16.256 -0.534 -7.710 1.00 65.23 H new ATOM 0 HD11 LEU A 68 16.772 -1.680 -5.598 1.00 12.31 H new ATOM 0 HD12 LEU A 68 18.004 -0.467 -6.021 1.00 12.31 H new ATOM 0 HD13 LEU A 68 16.801 -0.111 -4.759 1.00 12.31 H new ATOM 0 HD21 LEU A 68 14.413 -1.380 -6.319 1.00 71.44 H new ATOM 0 HD22 LEU A 68 14.286 0.209 -5.529 1.00 71.44 H new ATOM 0 HD23 LEU A 68 13.936 0.049 -7.266 1.00 71.44 H new ATOM 1043 N GLU A 69 18.019 4.268 -7.367 1.00 15.25 N ATOM 1044 CA GLU A 69 18.164 5.547 -8.041 1.00 72.12 C ATOM 1045 C GLU A 69 19.480 5.590 -8.821 1.00 22.31 C ATOM 1046 O GLU A 69 19.531 6.118 -9.930 1.00 70.33 O ATOM 1047 CB GLU A 69 18.079 6.705 -7.044 1.00 51.12 C ATOM 1048 CG GLU A 69 18.246 8.051 -7.752 1.00 33.34 C ATOM 1049 CD GLU A 69 17.298 8.163 -8.947 1.00 54.43 C ATOM 1050 OE1 GLU A 69 17.698 7.877 -10.085 1.00 2.44 O ATOM 1051 OE2 GLU A 69 16.105 8.562 -8.661 1.00 3.24 O1- ATOM 0 H GLU A 69 18.042 4.318 -6.348 1.00 15.25 H new ATOM 0 HA GLU A 69 17.342 5.658 -8.748 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.118 6.677 -6.530 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.851 6.592 -6.283 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.050 8.862 -7.050 1.00 33.34 H new ATOM 0 HG3 GLU A 69 19.277 8.163 -8.089 1.00 33.34 H new ATOM 1059 N ASN A 70 20.511 5.026 -8.210 1.00 1.34 N ATOM 1060 CA ASN A 70 21.823 4.992 -8.834 1.00 62.35 C ATOM 1061 C ASN A 70 22.717 4.007 -8.078 1.00 55.43 C ATOM 1062 O ASN A 70 23.529 4.412 -7.246 1.00 45.53 O ATOM 1063 CB ASN A 70 22.490 6.369 -8.786 1.00 44.13 C ATOM 1064 CG ASN A 70 22.042 7.236 -9.964 1.00 34.34 C ATOM 1065 OD1 ASN A 70 21.397 8.258 -9.806 1.00 35.54 O ATOM 1066 ND2 ASN A 70 22.420 6.771 -11.152 1.00 0.54 N ATOM 0 H ASN A 70 20.465 4.589 -7.290 1.00 1.34 H new ATOM 0 HA ASN A 70 21.695 4.688 -9.873 1.00 62.35 H new ATOM 0 HB2 ASN A 70 22.240 6.866 -7.848 1.00 44.13 H new ATOM 0 HB3 ASN A 70 23.574 6.253 -8.806 1.00 44.13 H new ATOM 0 HD21 ASN A 70 22.170 7.278 -12.001 1.00 0.54 H new ATOM 0 HD22 ASN A 70 22.960 5.908 -11.214 1.00 0.54 H new ATOM 1073 N PRO A 71 22.534 2.700 -8.401 1.00 54.04 N ATOM 1074 CA PRO A 71 23.314 1.654 -7.763 1.00 32.44 C ATOM 1075 C PRO A 71 24.743 1.624 -8.309 1.00 41.31 C ATOM 1076 O PRO A 71 25.570 0.836 -7.853 1.00 74.34 O ATOM 1077 CB PRO A 71 22.547 0.369 -8.034 1.00 13.22 C ATOM 1078 CG PRO A 71 21.622 0.675 -9.201 1.00 74.42 C ATOM 1079 CD PRO A 71 21.581 2.184 -9.380 1.00 62.30 C ATOM 0 HA PRO A 71 23.432 1.813 -6.691 1.00 32.44 H new ATOM 0 HB2 PRO A 71 23.227 -0.448 -8.278 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.979 0.060 -7.156 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.982 0.192 -10.110 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.622 0.286 -9.008 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.861 2.470 -10.394 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.580 2.577 -9.203 1.00 62.30 H new ATOM 1087 N LYS A 72 24.989 2.493 -9.279 1.00 40.44 N ATOM 1088 CA LYS A 72 26.304 2.576 -9.892 1.00 22.32 C ATOM 1089 C LYS A 72 27.241 3.364 -8.975 1.00 63.53 C ATOM 1090 O LYS A 72 28.461 3.298 -9.123 1.00 45.42 O ATOM 1091 CB LYS A 72 26.200 3.152 -11.306 1.00 54.30 C ATOM 1092 CG LYS A 72 25.828 4.636 -11.268 1.00 41.01 C ATOM 1093 CD LYS A 72 27.081 5.513 -11.218 1.00 72.43 C ATOM 1094 CE LYS A 72 28.024 5.189 -12.378 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.252 4.905 -13.609 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.301 3.145 -9.655 1.00 40.44 H new ATOM 0 HA LYS A 72 26.734 1.581 -10.008 1.00 22.32 H new ATOM 0 HB2 LYS A 72 27.150 3.025 -11.825 1.00 54.30 H new ATOM 0 HB3 LYS A 72 25.451 2.600 -11.873 1.00 54.30 H new ATOM 0 HG2 LYS A 72 25.237 4.889 -12.148 1.00 41.01 H new ATOM 0 HG3 LYS A 72 25.204 4.836 -10.397 1.00 41.01 H new ATOM 0 HD2 LYS A 72 26.795 6.564 -11.260 1.00 72.43 H new ATOM 0 HD3 LYS A 72 27.598 5.361 -10.271 1.00 72.43 H new ATOM 0 HE2 LYS A 72 28.700 6.027 -12.550 1.00 51.53 H new ATOM 0 HE3 LYS A 72 28.642 4.328 -12.123 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 27.858 5.054 -14.441 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 26.923 3.919 -13.593 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 26.432 5.543 -13.659 1.00 51.14 H new ATOM 1108 N LYS A 73 26.635 4.091 -8.048 1.00 4.23 N ATOM 1109 CA LYS A 73 27.400 4.892 -7.107 1.00 34.14 C ATOM 1110 C LYS A 73 27.432 4.184 -5.751 1.00 2.10 C ATOM 1111 O LYS A 73 28.436 4.236 -5.042 1.00 35.44 O ATOM 1112 CB LYS A 73 26.849 6.317 -7.044 1.00 1.20 C ATOM 1113 CG LYS A 73 25.692 6.415 -6.047 1.00 32.13 C ATOM 1114 CD LYS A 73 24.728 7.538 -6.436 1.00 55.50 C ATOM 1115 CE LYS A 73 25.191 8.880 -5.864 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.447 9.314 -6.514 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.623 4.142 -7.928 1.00 4.23 H new ATOM 0 HA LYS A 73 28.433 4.990 -7.441 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.643 7.005 -6.754 1.00 1.20 H new ATOM 0 HB3 LYS A 73 26.508 6.623 -8.033 1.00 1.20 H new ATOM 0 HG2 LYS A 73 25.156 5.467 -6.012 1.00 32.13 H new ATOM 0 HG3 LYS A 73 26.084 6.597 -5.046 1.00 32.13 H new ATOM 0 HD2 LYS A 73 24.661 7.605 -7.522 1.00 55.50 H new ATOM 0 HD3 LYS A 73 23.728 7.307 -6.069 1.00 55.50 H new ATOM 0 HE2 LYS A 73 24.417 9.633 -6.015 1.00 5.11 H new ATOM 0 HE3 LYS A 73 25.343 8.791 -4.788 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 26.480 10.353 -6.547 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 27.260 8.959 -5.971 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.486 8.936 -7.482 1.00 51.34 H new ATOM 1129 N TYR A 74 26.319 3.541 -5.429 1.00 21.02 N ATOM 1130 CA TYR A 74 26.207 2.824 -4.169 1.00 11.41 C ATOM 1131 C TYR A 74 27.222 1.681 -4.096 1.00 42.23 C ATOM 1132 O TYR A 74 27.875 1.491 -3.072 1.00 73.43 O ATOM 1133 CB TYR A 74 24.794 2.236 -4.143 1.00 34.24 C ATOM 1134 CG TYR A 74 24.257 1.971 -2.736 1.00 13.51 C ATOM 1135 CD1 TYR A 74 24.920 1.099 -1.897 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.107 2.603 -2.305 1.00 55.13 C ATOM 1137 CE1 TYR A 74 24.415 0.849 -0.571 1.00 65.02 C ATOM 1138 CE2 TYR A 74 22.602 2.354 -0.980 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.280 1.489 -0.178 1.00 60.53 C ATOM 1140 OH TYR A 74 22.803 1.253 1.073 1.00 63.13 O ATOM 0 H TYR A 74 25.487 3.501 -6.018 1.00 21.02 H new ATOM 0 HA TYR A 74 26.398 3.492 -3.329 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.118 2.919 -4.656 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.790 1.302 -4.704 1.00 34.24 H new ATOM 0 HD1 TYR A 74 25.818 0.603 -2.235 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.587 3.284 -2.962 1.00 55.13 H new ATOM 0 HE1 TYR A 74 24.925 0.170 0.096 1.00 65.02 H new ATOM 0 HE2 TYR A 74 21.705 2.843 -0.630 1.00 30.14 H new ATOM 0 HH TYR A 74 22.144 1.939 1.307 1.00 63.13 H new ATOM 1150 N ILE A 75 27.323 0.950 -5.197 1.00 35.22 N ATOM 1151 CA ILE A 75 28.248 -0.168 -5.271 1.00 2.31 C ATOM 1152 C ILE A 75 28.879 -0.212 -6.664 1.00 30.40 C ATOM 1153 O ILE A 75 28.381 -0.901 -7.553 1.00 3.45 O ATOM 1154 CB ILE A 75 27.549 -1.469 -4.870 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.595 -1.240 -3.696 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.568 -2.571 -4.576 1.00 52.55 C ATOM 1157 CD1 ILE A 75 25.826 -2.519 -3.357 1.00 1.01 C ATOM 0 H ILE A 75 26.779 1.110 -6.045 1.00 35.22 H new ATOM 0 HA ILE A 75 29.061 -0.037 -4.557 1.00 2.31 H new ATOM 0 HB ILE A 75 26.946 -1.806 -5.713 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.159 -0.908 -2.824 1.00 71.04 H new ATOM 0 HG13 ILE A 75 25.893 -0.444 -3.943 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.045 -3.484 -4.293 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.169 -2.758 -5.466 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.217 -2.257 -3.759 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.155 -2.329 -2.519 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.244 -2.834 -4.223 1.00 1.01 H new ATOM 0 HD13 ILE A 75 26.530 -3.306 -3.087 1.00 1.01 H new ATOM 1169 N PRO A 76 29.994 0.552 -6.814 1.00 75.43 N ATOM 1170 CA PRO A 76 30.698 0.607 -8.084 1.00 60.41 C ATOM 1171 C PRO A 76 31.501 -0.674 -8.322 1.00 71.21 C ATOM 1172 O PRO A 76 32.270 -1.097 -7.460 1.00 23.43 O ATOM 1173 CB PRO A 76 31.570 1.848 -7.997 1.00 52.32 C ATOM 1174 CG PRO A 76 31.675 2.181 -6.518 1.00 32.44 C ATOM 1175 CD PRO A 76 30.612 1.380 -5.784 1.00 2.31 C ATOM 0 HA PRO A 76 30.023 0.671 -8.937 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.555 1.664 -8.427 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.129 2.675 -8.553 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.667 1.934 -6.141 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.528 3.249 -6.356 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.051 0.769 -4.995 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.880 2.034 -5.310 1.00 2.31 H new ATOM 1183 N GLY A 77 31.295 -1.254 -9.495 1.00 41.14 N ATOM 1184 CA GLY A 77 31.991 -2.477 -9.857 1.00 61.20 C ATOM 1185 C GLY A 77 31.169 -3.710 -9.474 1.00 2.42 C ATOM 1186 O GLY A 77 31.723 -4.783 -9.246 1.00 31.14 O ATOM 0 H GLY A 77 30.656 -0.900 -10.207 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.186 -2.485 -10.929 1.00 61.20 H new ATOM 0 HA3 GLY A 77 32.959 -2.511 -9.356 1.00 61.20 H new ATOM 1190 N THR A 78 29.860 -3.513 -9.414 1.00 45.32 N ATOM 1191 CA THR A 78 28.956 -4.595 -9.062 1.00 52.32 C ATOM 1192 C THR A 78 28.577 -5.400 -10.307 1.00 15.00 C ATOM 1193 O THR A 78 28.738 -4.925 -11.430 1.00 74.51 O ATOM 1194 CB THR A 78 27.751 -3.989 -8.340 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.922 -5.109 -8.046 1.00 51.42 O ATOM 1196 CG2 THR A 78 26.891 -3.122 -9.264 1.00 71.52 C ATOM 0 H THR A 78 29.404 -2.620 -9.603 1.00 45.32 H new ATOM 0 HA THR A 78 29.434 -5.305 -8.387 1.00 52.32 H new ATOM 0 HB THR A 78 28.097 -3.391 -7.497 1.00 44.04 H new ATOM 0 HG1 THR A 78 26.118 -4.806 -7.575 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.049 -2.716 -8.703 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.493 -2.303 -9.659 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.518 -3.729 -10.089 1.00 71.52 H new ATOM 1204 N LYS A 79 28.082 -6.604 -10.065 1.00 35.35 N ATOM 1205 CA LYS A 79 27.679 -7.479 -11.154 1.00 23.13 C ATOM 1206 C LYS A 79 26.183 -7.297 -11.422 1.00 32.14 C ATOM 1207 O LYS A 79 25.507 -8.232 -11.847 1.00 61.34 O ATOM 1208 CB LYS A 79 28.077 -8.926 -10.853 1.00 4.04 C ATOM 1209 CG LYS A 79 29.366 -8.981 -10.031 1.00 33.42 C ATOM 1210 CD LYS A 79 30.020 -10.361 -10.127 1.00 24.30 C ATOM 1211 CE LYS A 79 29.304 -11.371 -9.229 1.00 10.21 C ATOM 1212 NZ LYS A 79 28.018 -11.783 -9.836 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.951 -6.995 -9.132 1.00 35.35 H new ATOM 0 HA LYS A 79 28.203 -7.211 -12.072 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.273 -9.422 -10.309 1.00 4.04 H new ATOM 0 HB3 LYS A 79 28.214 -9.471 -11.787 1.00 4.04 H new ATOM 0 HG2 LYS A 79 30.061 -8.220 -10.386 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.147 -8.750 -8.988 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.997 -10.707 -11.160 1.00 24.30 H new ATOM 0 HD3 LYS A 79 31.069 -10.291 -9.838 1.00 24.30 H new ATOM 0 HE2 LYS A 79 29.938 -12.245 -9.077 1.00 10.21 H new ATOM 0 HE3 LYS A 79 29.126 -10.932 -8.248 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 27.869 -12.800 -9.676 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 27.241 -11.246 -9.401 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 28.040 -11.593 -10.858 1.00 45.34 H new ATOM 1225 N MET A 80 25.713 -6.086 -11.163 1.00 75.05 N ATOM 1226 CA MET A 80 24.310 -5.768 -11.373 1.00 44.10 C ATOM 1227 C MET A 80 24.142 -4.734 -12.487 1.00 15.21 C ATOM 1228 O MET A 80 23.899 -3.559 -12.217 1.00 11.50 O ATOM 1229 CB MET A 80 23.711 -5.222 -10.075 1.00 41.23 C ATOM 1230 CG MET A 80 22.245 -4.831 -10.270 1.00 12.33 C ATOM 1231 SD MET A 80 21.363 -4.978 -8.724 1.00 55.50 S ATOM 1232 CE MET A 80 20.886 -3.276 -8.477 1.00 4.13 C ATOM 0 H MET A 80 26.278 -5.313 -10.810 1.00 75.05 H new ATOM 0 HA MET A 80 23.791 -6.680 -11.669 1.00 44.10 H new ATOM 0 HB2 MET A 80 23.789 -5.974 -9.290 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.282 -4.354 -9.744 1.00 41.23 H new ATOM 0 HG2 MET A 80 22.179 -3.808 -10.640 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.786 -5.472 -11.022 1.00 12.33 H new ATOM 0 HE1 MET A 80 20.322 -3.187 -7.549 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.778 -2.653 -8.420 1.00 4.13 H new ATOM 0 HE3 MET A 80 20.266 -2.947 -9.311 1.00 4.13 H new ATOM 1242 N ILE A 81 24.280 -5.208 -13.717 1.00 73.13 N ATOM 1243 CA ILE A 81 24.146 -4.339 -14.874 1.00 63.41 C ATOM 1244 C ILE A 81 22.823 -3.578 -14.784 1.00 63.43 C ATOM 1245 O ILE A 81 21.751 -4.181 -14.832 1.00 21.32 O ATOM 1246 CB ILE A 81 24.310 -5.140 -16.166 1.00 65.11 C ATOM 1247 CG1 ILE A 81 25.130 -4.359 -17.195 1.00 3.45 C ATOM 1248 CG2 ILE A 81 22.950 -5.566 -16.723 1.00 43.10 C ATOM 1249 CD1 ILE A 81 26.543 -4.086 -16.676 1.00 64.30 C ATOM 0 H ILE A 81 24.483 -6.183 -13.937 1.00 73.13 H new ATOM 0 HA ILE A 81 24.941 -3.594 -14.886 1.00 63.41 H new ATOM 0 HB ILE A 81 24.864 -6.050 -15.935 1.00 65.11 H new ATOM 0 HG12 ILE A 81 25.183 -4.923 -18.126 1.00 3.45 H new ATOM 0 HG13 ILE A 81 24.633 -3.416 -17.421 1.00 3.45 H new ATOM 0 HG21 ILE A 81 23.095 -6.134 -17.642 1.00 43.10 H new ATOM 0 HG22 ILE A 81 22.435 -6.187 -15.990 1.00 43.10 H new ATOM 0 HG23 ILE A 81 22.350 -4.681 -16.934 1.00 43.10 H new ATOM 0 HD11 ILE A 81 27.105 -3.530 -17.426 1.00 64.30 H new ATOM 0 HD12 ILE A 81 26.487 -3.502 -15.758 1.00 64.30 H new ATOM 0 HD13 ILE A 81 27.045 -5.032 -16.474 1.00 64.30 H new ATOM 1261 N PHE A 82 22.939 -2.264 -14.657 1.00 51.30 N ATOM 1262 CA PHE A 82 21.764 -1.414 -14.561 1.00 2.04 C ATOM 1263 C PHE A 82 22.148 0.064 -14.654 1.00 11.53 C ATOM 1264 O PHE A 82 23.307 0.422 -14.452 1.00 33.35 O ATOM 1265 CB PHE A 82 21.132 -1.679 -13.193 1.00 11.41 C ATOM 1266 CG PHE A 82 19.621 -1.444 -13.150 1.00 52.20 C ATOM 1267 CD1 PHE A 82 18.809 -2.065 -14.047 1.00 24.33 C ATOM 1268 CD2 PHE A 82 19.088 -0.612 -12.215 1.00 64.53 C ATOM 1269 CE1 PHE A 82 17.407 -1.846 -14.008 1.00 21.13 C ATOM 1270 CE2 PHE A 82 17.686 -0.392 -12.175 1.00 62.32 C ATOM 1271 CZ PHE A 82 16.874 -1.014 -13.072 1.00 52.30 C ATOM 0 H PHE A 82 23.829 -1.767 -14.618 1.00 51.30 H new ATOM 0 HA PHE A 82 21.076 -1.635 -15.377 1.00 2.04 H new ATOM 0 HB2 PHE A 82 21.338 -2.709 -12.903 1.00 11.41 H new ATOM 0 HB3 PHE A 82 21.610 -1.038 -12.453 1.00 11.41 H new ATOM 0 HD1 PHE A 82 19.231 -2.726 -14.790 1.00 24.33 H new ATOM 0 HD2 PHE A 82 19.732 -0.118 -11.502 1.00 64.53 H new ATOM 0 HE1 PHE A 82 16.763 -2.340 -14.721 1.00 21.13 H new ATOM 0 HE2 PHE A 82 17.264 0.269 -11.432 1.00 62.32 H new ATOM 0 HZ PHE A 82 15.807 -0.848 -13.041 1.00 52.30 H new ATOM 1281 N VAL A 83 21.152 0.882 -14.961 1.00 11.14 N ATOM 1282 CA VAL A 83 21.370 2.314 -15.083 1.00 50.45 C ATOM 1283 C VAL A 83 20.687 3.031 -13.917 1.00 64.23 C ATOM 1284 O VAL A 83 21.165 4.066 -13.454 1.00 22.41 O ATOM 1285 CB VAL A 83 20.887 2.801 -16.450 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.577 2.035 -17.580 1.00 12.30 C ATOM 1287 CG2 VAL A 83 19.365 2.694 -16.564 1.00 22.20 C ATOM 0 H VAL A 83 20.192 0.581 -15.129 1.00 11.14 H new ATOM 0 HA VAL A 83 22.434 2.545 -15.027 1.00 50.45 H new ATOM 0 HB VAL A 83 21.157 3.853 -16.545 1.00 72.20 H new ATOM 0 HG11 VAL A 83 21.216 2.401 -18.541 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.655 2.185 -17.516 1.00 12.30 H new ATOM 0 HG13 VAL A 83 21.353 0.972 -17.489 1.00 12.30 H new ATOM 0 HG21 VAL A 83 19.048 3.047 -17.545 1.00 22.20 H new ATOM 0 HG22 VAL A 83 19.063 1.654 -16.437 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.898 3.305 -15.791 1.00 22.20 H new ATOM 1297 N GLY A 84 19.580 2.453 -13.476 1.00 42.12 N ATOM 1298 CA GLY A 84 18.826 3.025 -12.373 1.00 22.32 C ATOM 1299 C GLY A 84 17.398 3.366 -12.802 1.00 4.23 C ATOM 1300 O GLY A 84 17.117 3.490 -13.993 1.00 44.21 O ATOM 0 H GLY A 84 19.187 1.595 -13.862 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.801 2.321 -11.541 1.00 22.32 H new ATOM 0 HA3 GLY A 84 19.326 3.925 -12.014 1.00 22.32 H new ATOM 1304 N ILE A 85 16.533 3.509 -11.809 1.00 0.21 N ATOM 1305 CA ILE A 85 15.140 3.833 -12.069 1.00 22.34 C ATOM 1306 C ILE A 85 14.928 5.337 -11.881 1.00 73.43 C ATOM 1307 O ILE A 85 15.535 5.948 -11.003 1.00 55.21 O ATOM 1308 CB ILE A 85 14.219 2.968 -11.208 1.00 13.11 C ATOM 1309 CG1 ILE A 85 14.470 1.480 -11.458 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.751 3.346 -11.425 1.00 13.43 C ATOM 1311 CD1 ILE A 85 14.139 0.652 -10.214 1.00 71.13 C ATOM 0 H ILE A 85 16.770 3.406 -10.822 1.00 0.21 H new ATOM 0 HA ILE A 85 14.880 3.601 -13.102 1.00 22.34 H new ATOM 0 HB ILE A 85 14.451 3.161 -10.161 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.863 1.141 -12.297 1.00 31.10 H new ATOM 0 HG13 ILE A 85 15.513 1.325 -11.736 1.00 31.10 H new ATOM 0 HG21 ILE A 85 12.117 2.716 -10.801 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.601 4.392 -11.156 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.489 3.200 -12.473 1.00 13.43 H new ATOM 0 HD11 ILE A 85 14.326 -0.402 -10.418 1.00 71.13 H new ATOM 0 HD12 ILE A 85 14.765 0.977 -9.383 1.00 71.13 H new ATOM 0 HD13 ILE A 85 13.090 0.790 -9.953 1.00 71.13 H new ATOM 1323 N LYS A 86 14.064 5.889 -12.719 1.00 70.13 N ATOM 1324 CA LYS A 86 13.764 7.310 -12.656 1.00 52.41 C ATOM 1325 C LYS A 86 12.471 7.519 -11.864 1.00 72.24 C ATOM 1326 O LYS A 86 12.404 8.388 -10.997 1.00 12.14 O ATOM 1327 CB LYS A 86 13.729 7.913 -14.062 1.00 14.22 C ATOM 1328 CG LYS A 86 15.141 8.050 -14.634 1.00 24.43 C ATOM 1329 CD LYS A 86 15.794 6.679 -14.818 1.00 71.23 C ATOM 1330 CE LYS A 86 17.002 6.767 -15.753 1.00 51.35 C ATOM 1331 NZ LYS A 86 16.579 6.597 -17.161 1.00 32.04 N1+ ATOM 0 H LYS A 86 13.562 5.379 -13.445 1.00 70.13 H new ATOM 0 HA LYS A 86 14.553 7.843 -12.125 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.127 7.283 -14.717 1.00 14.22 H new ATOM 0 HB3 LYS A 86 13.249 8.891 -14.030 1.00 14.22 H new ATOM 0 HG2 LYS A 86 15.100 8.569 -15.592 1.00 24.43 H new ATOM 0 HG3 LYS A 86 15.750 8.660 -13.967 1.00 24.43 H new ATOM 0 HD2 LYS A 86 16.107 6.289 -13.850 1.00 71.23 H new ATOM 0 HD3 LYS A 86 15.066 5.977 -15.224 1.00 71.23 H new ATOM 0 HE2 LYS A 86 17.496 7.731 -15.629 1.00 51.35 H new ATOM 0 HE3 LYS A 86 17.730 5.999 -15.490 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 17.410 6.659 -17.783 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 16.128 5.667 -17.278 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 15.901 7.345 -17.413 1.00 32.04 H new ATOM 1344 N LYS A 87 11.477 6.707 -12.192 1.00 51.43 N ATOM 1345 CA LYS A 87 10.189 6.792 -11.523 1.00 71.11 C ATOM 1346 C LYS A 87 10.379 6.529 -10.027 1.00 30.25 C ATOM 1347 O LYS A 87 11.169 5.670 -9.640 1.00 52.34 O ATOM 1348 CB LYS A 87 9.177 5.857 -12.188 1.00 51.42 C ATOM 1349 CG LYS A 87 8.654 6.455 -13.495 1.00 42.12 C ATOM 1350 CD LYS A 87 7.424 7.330 -13.244 1.00 3.45 C ATOM 1351 CE LYS A 87 7.833 8.762 -12.891 1.00 15.15 C ATOM 1352 NZ LYS A 87 6.797 9.721 -13.334 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.537 5.987 -12.912 1.00 51.43 H new ATOM 0 HA LYS A 87 9.774 7.795 -11.621 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.644 4.892 -12.387 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.344 5.674 -11.509 1.00 51.42 H new ATOM 0 HG2 LYS A 87 9.437 7.049 -13.966 1.00 42.12 H new ATOM 0 HG3 LYS A 87 8.400 5.654 -14.189 1.00 42.12 H new ATOM 0 HD2 LYS A 87 6.791 7.337 -14.131 1.00 3.45 H new ATOM 0 HD3 LYS A 87 6.831 6.907 -12.433 1.00 3.45 H new ATOM 0 HE2 LYS A 87 7.981 8.849 -11.815 1.00 15.15 H new ATOM 0 HE3 LYS A 87 8.785 9.002 -13.364 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 7.090 10.688 -13.087 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 6.675 9.649 -14.364 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.896 9.501 -12.863 1.00 2.13 H new ATOM 1365 N LYS A 88 9.641 7.286 -9.229 1.00 73.34 N ATOM 1366 CA LYS A 88 9.718 7.146 -7.784 1.00 10.55 C ATOM 1367 C LYS A 88 8.700 6.101 -7.323 1.00 15.32 C ATOM 1368 O LYS A 88 9.046 5.170 -6.598 1.00 51.24 O ATOM 1369 CB LYS A 88 9.554 8.507 -7.105 1.00 73.43 C ATOM 1370 CG LYS A 88 10.280 9.602 -7.889 1.00 35.34 C ATOM 1371 CD LYS A 88 11.796 9.416 -7.815 1.00 1.31 C ATOM 1372 CE LYS A 88 12.527 10.644 -8.363 1.00 44.14 C ATOM 1373 NZ LYS A 88 12.645 11.686 -7.319 1.00 21.31 N1+ ATOM 0 H LYS A 88 8.987 7.998 -9.555 1.00 73.34 H new ATOM 0 HA LYS A 88 10.703 6.785 -7.487 1.00 10.55 H new ATOM 0 HB2 LYS A 88 8.495 8.753 -7.026 1.00 73.43 H new ATOM 0 HB3 LYS A 88 9.947 8.460 -6.089 1.00 73.43 H new ATOM 0 HG2 LYS A 88 9.958 9.583 -8.930 1.00 35.34 H new ATOM 0 HG3 LYS A 88 10.010 10.580 -7.490 1.00 35.34 H new ATOM 0 HD2 LYS A 88 12.095 9.242 -6.781 1.00 1.31 H new ATOM 0 HD3 LYS A 88 12.086 8.532 -8.383 1.00 1.31 H new ATOM 0 HE2 LYS A 88 13.519 10.358 -8.713 1.00 44.14 H new ATOM 0 HE3 LYS A 88 11.988 11.042 -9.223 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 13.143 12.512 -7.708 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 11.696 11.971 -7.004 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 13.179 11.308 -6.510 1.00 21.31 H new ATOM 1386 N GLU A 89 7.464 6.292 -7.761 1.00 4.13 N ATOM 1387 CA GLU A 89 6.393 5.377 -7.401 1.00 30.31 C ATOM 1388 C GLU A 89 6.787 3.939 -7.742 1.00 34.03 C ATOM 1389 O GLU A 89 6.450 3.009 -7.010 1.00 20.11 O ATOM 1390 CB GLU A 89 5.085 5.766 -8.094 1.00 13.22 C ATOM 1391 CG GLU A 89 3.908 4.973 -7.525 1.00 72.24 C ATOM 1392 CD GLU A 89 2.656 5.155 -8.388 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.184 6.288 -8.563 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.174 4.067 -8.885 1.00 73.44 O1- ATOM 0 H GLU A 89 7.180 7.066 -8.361 1.00 4.13 H new ATOM 0 HA GLU A 89 6.230 5.443 -6.325 1.00 30.31 H new ATOM 0 HB2 GLU A 89 4.905 6.833 -7.966 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.168 5.583 -9.165 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.168 3.916 -7.473 1.00 72.24 H new ATOM 0 HG3 GLU A 89 3.703 5.301 -6.506 1.00 72.24 H new ATOM 1402 N GLU A 90 7.495 3.799 -8.853 1.00 5.05 N ATOM 1403 CA GLU A 90 7.939 2.490 -9.299 1.00 64.24 C ATOM 1404 C GLU A 90 8.851 1.853 -8.249 1.00 42.35 C ATOM 1405 O GLU A 90 8.906 0.630 -8.129 1.00 45.31 O ATOM 1406 CB GLU A 90 8.642 2.581 -10.655 1.00 25.43 C ATOM 1407 CG GLU A 90 7.690 3.100 -11.733 1.00 31.10 C ATOM 1408 CD GLU A 90 6.613 2.062 -12.060 1.00 25.43 C ATOM 1409 OE1 GLU A 90 6.769 1.287 -13.015 1.00 53.11 O ATOM 1410 OE2 GLU A 90 5.587 2.077 -11.279 1.00 24.22 O1- ATOM 0 H GLU A 90 7.772 4.572 -9.458 1.00 5.05 H new ATOM 0 HA GLU A 90 7.063 1.854 -9.424 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.505 3.243 -10.578 1.00 25.43 H new ATOM 0 HB3 GLU A 90 9.019 1.599 -10.940 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.220 4.023 -11.394 1.00 31.10 H new ATOM 0 HG3 GLU A 90 8.253 3.342 -12.635 1.00 31.10 H new ATOM 1418 N ARG A 91 9.545 2.710 -7.515 1.00 31.35 N ATOM 1419 CA ARG A 91 10.453 2.246 -6.480 1.00 20.15 C ATOM 1420 C ARG A 91 9.699 2.046 -5.164 1.00 3.32 C ATOM 1421 O ARG A 91 10.054 1.181 -4.366 1.00 1.04 O ATOM 1422 CB ARG A 91 11.593 3.243 -6.260 1.00 14.11 C ATOM 1423 CG ARG A 91 12.429 3.409 -7.532 1.00 42.25 C ATOM 1424 CD ARG A 91 13.864 3.817 -7.196 1.00 41.32 C ATOM 1425 NE ARG A 91 13.886 5.198 -6.665 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.880 6.306 -7.437 1.00 1.11 C ATOM 1427 NH1 ARG A 91 13.853 6.203 -8.784 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.901 7.491 -6.857 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.497 3.724 -7.617 1.00 31.35 H new ATOM 0 HA ARG A 91 10.875 1.296 -6.810 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.184 4.208 -5.961 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.229 2.899 -5.444 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.435 2.474 -8.092 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.974 4.163 -8.175 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.284 3.129 -6.462 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.488 3.751 -8.087 1.00 41.32 H new ATOM 0 HE ARG A 91 13.907 5.321 -5.653 1.00 5.33 H new ATOM 0 HH11 ARG A 91 13.837 5.283 -9.225 1.00 41.21 H new ATOM 0 HH12 ARG A 91 13.849 7.045 -9.360 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.921 7.561 -5.840 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.897 8.337 -7.426 1.00 32.24 H new ATOM 1441 N ALA A 92 8.672 2.861 -4.978 1.00 43.14 N ATOM 1442 CA ALA A 92 7.864 2.786 -3.773 1.00 61.50 C ATOM 1443 C ALA A 92 7.013 1.515 -3.813 1.00 12.24 C ATOM 1444 O ALA A 92 6.479 1.088 -2.791 1.00 11.23 O ATOM 1445 CB ALA A 92 7.015 4.051 -3.646 1.00 62.14 C ATOM 0 H ALA A 92 8.380 3.578 -5.643 1.00 43.14 H new ATOM 0 HA ALA A 92 8.499 2.731 -2.889 1.00 61.50 H new ATOM 0 HB1 ALA A 92 6.409 3.993 -2.742 1.00 62.14 H new ATOM 0 HB2 ALA A 92 7.667 4.923 -3.591 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.362 4.140 -4.515 1.00 62.14 H new ATOM 1451 N ASP A 93 6.914 0.946 -5.006 1.00 75.33 N ATOM 1452 CA ASP A 93 6.137 -0.268 -5.193 1.00 73.40 C ATOM 1453 C ASP A 93 7.087 -1.454 -5.371 1.00 31.00 C ATOM 1454 O ASP A 93 6.865 -2.522 -4.801 1.00 62.34 O ATOM 1455 CB ASP A 93 5.260 -0.173 -6.443 1.00 62.14 C ATOM 1456 CG ASP A 93 3.953 0.600 -6.260 1.00 74.20 C ATOM 1457 OD1 ASP A 93 3.810 1.736 -6.737 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.044 -0.018 -5.586 1.00 64.24 O1- ATOM 0 H ASP A 93 7.359 1.303 -5.852 1.00 75.33 H new ATOM 0 HA ASP A 93 5.503 -0.401 -4.317 1.00 73.40 H new ATOM 0 HB2 ASP A 93 5.836 0.301 -7.237 1.00 62.14 H new ATOM 0 HB3 ASP A 93 5.023 -1.182 -6.780 1.00 62.14 H new ATOM 1464 N LEU A 94 8.125 -1.227 -6.163 1.00 12.24 N ATOM 1465 CA LEU A 94 9.109 -2.264 -6.422 1.00 1.33 C ATOM 1466 C LEU A 94 9.728 -2.716 -5.098 1.00 21.32 C ATOM 1467 O LEU A 94 10.123 -3.872 -4.956 1.00 4.12 O ATOM 1468 CB LEU A 94 10.135 -1.782 -7.449 1.00 1.22 C ATOM 1469 CG LEU A 94 11.297 -2.737 -7.733 1.00 64.13 C ATOM 1470 CD1 LEU A 94 12.411 -2.569 -6.698 1.00 14.55 C ATOM 1471 CD2 LEU A 94 10.810 -4.185 -7.820 1.00 54.24 C ATOM 0 H LEU A 94 8.306 -0.340 -6.634 1.00 12.24 H new ATOM 0 HA LEU A 94 8.634 -3.139 -6.866 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.616 -1.584 -8.387 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.546 -0.833 -7.105 1.00 1.22 H new ATOM 0 HG LEU A 94 11.719 -2.480 -8.705 1.00 64.13 H new ATOM 0 HD11 LEU A 94 13.224 -3.259 -6.923 1.00 14.55 H new ATOM 0 HD12 LEU A 94 12.785 -1.546 -6.729 1.00 14.55 H new ATOM 0 HD13 LEU A 94 12.019 -2.782 -5.704 1.00 14.55 H new ATOM 0 HD21 LEU A 94 11.656 -4.842 -8.023 1.00 54.24 H new ATOM 0 HD22 LEU A 94 10.347 -4.470 -6.875 1.00 54.24 H new ATOM 0 HD23 LEU A 94 10.080 -4.276 -8.624 1.00 54.24 H new ATOM 1483 N ILE A 95 9.794 -1.780 -4.163 1.00 21.15 N ATOM 1484 CA ILE A 95 10.359 -2.068 -2.855 1.00 63.21 C ATOM 1485 C ILE A 95 9.270 -2.650 -1.951 1.00 63.41 C ATOM 1486 O ILE A 95 9.516 -3.602 -1.212 1.00 23.11 O ATOM 1487 CB ILE A 95 11.036 -0.822 -2.279 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.348 -0.525 -3.007 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.236 -0.957 -0.768 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.721 0.953 -2.883 1.00 73.24 C ATOM 0 H ILE A 95 9.466 -0.822 -4.285 1.00 21.15 H new ATOM 0 HA ILE A 95 11.143 -2.821 -2.935 1.00 63.21 H new ATOM 0 HB ILE A 95 10.378 0.031 -2.442 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.146 -1.141 -2.592 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.253 -0.793 -4.059 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.719 -0.059 -0.383 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.268 -1.085 -0.283 1.00 73.02 H new ATOM 0 HG23 ILE A 95 11.864 -1.824 -0.560 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.658 1.137 -3.409 1.00 73.24 H new ATOM 0 HD12 ILE A 95 11.932 1.565 -3.321 1.00 73.24 H new ATOM 0 HD13 ILE A 95 12.839 1.211 -1.831 1.00 73.24 H new ATOM 1502 N ALA A 96 8.090 -2.054 -2.040 1.00 32.22 N ATOM 1503 CA ALA A 96 6.964 -2.502 -1.239 1.00 61.14 C ATOM 1504 C ALA A 96 6.749 -4.000 -1.461 1.00 33.13 C ATOM 1505 O ALA A 96 6.132 -4.672 -0.636 1.00 22.11 O ATOM 1506 CB ALA A 96 5.725 -1.676 -1.594 1.00 55.41 C ATOM 0 H ALA A 96 7.890 -1.265 -2.654 1.00 32.22 H new ATOM 0 HA ALA A 96 7.164 -2.352 -0.178 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.880 -2.012 -0.993 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.919 -0.623 -1.391 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.493 -1.805 -2.651 1.00 55.41 H new ATOM 1512 N TYR A 97 7.271 -4.480 -2.581 1.00 60.33 N ATOM 1513 CA TYR A 97 7.144 -5.888 -2.922 1.00 13.11 C ATOM 1514 C TYR A 97 8.351 -6.683 -2.422 1.00 22.34 C ATOM 1515 O TYR A 97 8.204 -7.601 -1.616 1.00 64.42 O ATOM 1516 CB TYR A 97 7.104 -5.949 -4.450 1.00 3.14 C ATOM 1517 CG TYR A 97 7.531 -7.299 -5.030 1.00 15.05 C ATOM 1518 CD1 TYR A 97 7.302 -8.459 -4.318 1.00 21.51 C ATOM 1519 CD2 TYR A 97 8.145 -7.358 -6.265 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.704 -9.730 -4.863 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.546 -8.628 -6.810 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.306 -9.752 -6.083 1.00 73.54 C ATOM 1523 OH TYR A 97 8.685 -10.952 -6.597 1.00 60.45 O ATOM 0 H TYR A 97 7.782 -3.920 -3.263 1.00 60.33 H new ATOM 0 HA TYR A 97 6.253 -6.316 -2.463 1.00 13.11 H new ATOM 0 HB2 TYR A 97 6.092 -5.725 -4.786 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.753 -5.171 -4.852 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.821 -8.414 -3.352 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.324 -6.451 -6.822 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.532 -10.645 -4.316 1.00 54.24 H new ATOM 0 HE2 TYR A 97 9.027 -8.687 -7.775 1.00 1.23 H new ATOM 0 HH TYR A 97 9.279 -10.807 -7.363 1.00 60.45 H new ATOM 1533 N LEU A 98 9.518 -6.304 -2.922 1.00 52.20 N ATOM 1534 CA LEU A 98 10.750 -6.972 -2.536 1.00 32.23 C ATOM 1535 C LEU A 98 10.818 -7.064 -1.010 1.00 0.11 C ATOM 1536 O LEU A 98 11.421 -7.988 -0.467 1.00 31.23 O ATOM 1537 CB LEU A 98 11.956 -6.272 -3.165 1.00 12.22 C ATOM 1538 CG LEU A 98 12.359 -6.754 -4.561 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.605 -6.019 -5.056 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.542 -8.273 -4.585 1.00 14.05 C ATOM 0 H LEU A 98 9.637 -5.543 -3.591 1.00 52.20 H new ATOM 0 HA LEU A 98 10.768 -7.993 -2.918 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.744 -5.204 -3.218 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.810 -6.395 -2.499 1.00 12.22 H new ATOM 0 HG LEU A 98 11.550 -6.516 -5.251 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.870 -6.380 -6.050 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.402 -4.949 -5.101 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.432 -6.203 -4.371 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.828 -8.589 -5.588 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.322 -8.557 -3.879 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.606 -8.757 -4.305 1.00 14.05 H new ATOM 1552 N LYS A 99 10.191 -6.094 -0.361 1.00 42.13 N ATOM 1553 CA LYS A 99 10.173 -6.054 1.091 1.00 65.14 C ATOM 1554 C LYS A 99 9.254 -7.159 1.616 1.00 74.10 C ATOM 1555 O LYS A 99 9.531 -7.762 2.651 1.00 12.40 O ATOM 1556 CB LYS A 99 9.798 -4.655 1.584 1.00 53.10 C ATOM 1557 CG LYS A 99 8.283 -4.525 1.760 1.00 51.40 C ATOM 1558 CD LYS A 99 7.905 -3.119 2.230 1.00 53.31 C ATOM 1559 CE LYS A 99 6.386 -2.937 2.248 1.00 14.20 C ATOM 1560 NZ LYS A 99 5.810 -3.506 3.487 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.691 -5.329 -0.815 1.00 42.13 H new ATOM 0 HA LYS A 99 11.168 -6.251 1.490 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.297 -4.453 2.532 1.00 53.10 H new ATOM 0 HB3 LYS A 99 10.151 -3.908 0.873 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.783 -4.744 0.816 1.00 51.40 H new ATOM 0 HG3 LYS A 99 7.933 -5.261 2.484 1.00 51.40 H new ATOM 0 HD2 LYS A 99 8.308 -2.945 3.228 1.00 53.31 H new ATOM 0 HD3 LYS A 99 8.356 -2.378 1.570 1.00 53.31 H new ATOM 0 HE2 LYS A 99 6.140 -1.877 2.179 1.00 14.20 H new ATOM 0 HE3 LYS A 99 5.945 -3.424 1.378 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 4.778 -3.374 3.483 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 6.029 -4.521 3.537 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 6.217 -3.023 4.313 1.00 30.50 H new ATOM 1573 N LYS A 100 8.180 -7.392 0.876 1.00 45.50 N ATOM 1574 CA LYS A 100 7.218 -8.413 1.254 1.00 71.42 C ATOM 1575 C LYS A 100 7.669 -9.764 0.693 1.00 15.31 C ATOM 1576 O LYS A 100 7.175 -10.809 1.111 1.00 13.03 O ATOM 1577 CB LYS A 100 5.808 -8.007 0.823 1.00 23.01 C ATOM 1578 CG LYS A 100 4.748 -8.747 1.643 1.00 62.30 C ATOM 1579 CD LYS A 100 3.339 -8.374 1.181 1.00 21.42 C ATOM 1580 CE LYS A 100 2.287 -8.874 2.175 1.00 4.03 C ATOM 1581 NZ LYS A 100 2.406 -10.337 2.363 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.955 -6.891 0.016 1.00 45.50 H new ATOM 0 HA LYS A 100 7.177 -8.515 2.338 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.682 -6.931 0.946 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.671 -8.225 -0.236 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.894 -9.823 1.546 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.865 -8.504 2.699 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.261 -7.292 1.077 1.00 21.42 H new ATOM 0 HD3 LYS A 100 3.149 -8.804 0.197 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.412 -8.367 3.132 1.00 4.03 H new ATOM 0 HE3 LYS A 100 1.289 -8.628 1.812 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 1.563 -10.693 2.858 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 2.485 -10.801 1.436 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 3.253 -10.547 2.928 1.00 72.11 H new ATOM 1594 N ALA A 101 8.600 -9.697 -0.246 1.00 64.02 N ATOM 1595 CA ALA A 101 9.123 -10.901 -0.869 1.00 24.13 C ATOM 1596 C ALA A 101 10.319 -11.410 -0.062 1.00 72.45 C ATOM 1597 O ALA A 101 10.738 -12.555 -0.220 1.00 21.11 O ATOM 1598 CB ALA A 101 9.485 -10.607 -2.326 1.00 75.14 C ATOM 0 H ALA A 101 9.006 -8.827 -0.591 1.00 64.02 H new ATOM 0 HA ALA A 101 8.369 -11.689 -0.873 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.877 -11.510 -2.793 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.595 -10.278 -2.863 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.241 -9.823 -2.362 1.00 75.14 H new ATOM 1604 N THR A 102 10.836 -10.533 0.786 1.00 15.34 N ATOM 1605 CA THR A 102 11.976 -10.878 1.618 1.00 4.43 C ATOM 1606 C THR A 102 11.611 -10.758 3.099 1.00 51.23 C ATOM 1607 O THR A 102 12.433 -10.340 3.913 1.00 33.25 O ATOM 1608 CB THR A 102 13.149 -9.987 1.207 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.704 -8.667 1.507 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.370 -9.971 -0.307 1.00 73.13 C ATOM 0 H THR A 102 10.486 -9.584 0.915 1.00 15.34 H new ATOM 0 HA THR A 102 12.272 -11.917 1.472 1.00 4.43 H new ATOM 0 HB THR A 102 14.057 -10.331 1.702 1.00 53.10 H new ATOM 0 HG1 THR A 102 12.466 -8.205 0.676 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.214 -9.324 -0.545 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.579 -10.983 -0.655 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.474 -9.595 -0.802 1.00 73.13 H new ATOM 1618 N ASN A 103 10.377 -11.132 3.404 1.00 70.44 N ATOM 1619 CA ASN A 103 9.893 -11.071 4.773 1.00 11.44 C ATOM 1620 C ASN A 103 9.300 -12.426 5.161 1.00 44.21 C ATOM 1621 O ASN A 103 9.590 -12.950 6.235 1.00 20.15 O ATOM 1622 CB ASN A 103 8.796 -10.014 4.923 1.00 54.20 C ATOM 1623 CG ASN A 103 8.431 -9.809 6.394 1.00 33.53 C ATOM 1624 OD1 ASN A 103 8.855 -10.539 7.274 1.00 4.43 O ATOM 1625 ND2 ASN A 103 7.622 -8.775 6.611 1.00 23.31 N ATOM 0 H ASN A 103 9.698 -11.478 2.727 1.00 70.44 H new ATOM 0 HA ASN A 103 10.734 -10.812 5.416 1.00 11.44 H new ATOM 0 HB2 ASN A 103 9.133 -9.071 4.493 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.912 -10.320 4.364 1.00 54.20 H new ATOM 0 HD21 ASN A 103 7.320 -8.554 7.560 1.00 23.31 H new ATOM 0 HD22 ASN A 103 7.304 -8.204 5.828 1.00 23.31 H new ATOM 1632 N GLU A 104 8.481 -12.956 4.264 1.00 23.13 N ATOM 1633 CA GLU A 104 7.844 -14.241 4.498 1.00 54.13 C ATOM 1634 C GLU A 104 8.870 -15.257 5.007 1.00 73.12 C ATOM 1635 O GLU A 104 8.503 -16.272 5.596 1.00 31.02 O ATOM 1636 CB GLU A 104 7.151 -14.749 3.233 1.00 64.13 C ATOM 1637 CG GLU A 104 6.299 -13.649 2.595 1.00 74.30 C ATOM 1638 CD GLU A 104 5.155 -14.247 1.776 1.00 30.24 C ATOM 1639 OE1 GLU A 104 5.394 -14.814 0.699 1.00 70.41 O ATOM 1640 OE2 GLU A 104 3.982 -14.108 2.294 1.00 71.21 O1- ATOM 0 H GLU A 104 8.244 -12.519 3.374 1.00 23.13 H new ATOM 0 HA GLU A 104 7.079 -14.111 5.263 1.00 54.13 H new ATOM 0 HB2 GLU A 104 7.898 -15.095 2.519 1.00 64.13 H new ATOM 0 HB3 GLU A 104 6.522 -15.605 3.477 1.00 64.13 H new ATOM 0 HG2 GLU A 104 5.894 -13.001 3.372 1.00 74.30 H new ATOM 0 HG3 GLU A 104 6.923 -13.027 1.954 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.251 -6.935 -8.358 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.715 -7.421 -5.979 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.266 -5.434 -6.001 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.305 -5.895 -10.891 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.112 -8.909 -10.561 1.00 22.15 C HETATM 1654 NA HEC A 500 20.485 -6.444 -6.375 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.572 -6.740 -5.627 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.323 -6.305 -4.287 1.00 55.42 C HETATM 1657 C3A HEC A 500 20.064 -5.753 -4.259 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.527 -5.866 -5.597 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.414 -5.099 -3.066 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.230 -6.587 -3.124 1.00 52.15 C HETATM 1661 CBA HEC A 500 22.325 -8.070 -2.757 1.00 50.33 C HETATM 1662 CGA HEC A 500 20.952 -8.603 -2.380 1.00 24.15 C HETATM 1663 O1A HEC A 500 20.809 -9.842 -2.324 1.00 51.15 O HETATM 1664 O2A HEC A 500 20.084 -7.754 -2.075 1.00 64.43 O HETATM 1665 NB HEC A 500 18.542 -5.937 -8.423 1.00 15.25 N HETATM 1666 C1B HEC A 500 17.871 -5.443 -7.344 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.636 -4.889 -7.838 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.712 -4.885 -9.216 1.00 22.40 C HETATM 1669 C4B HEC A 500 17.913 -5.602 -9.577 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.483 -4.425 -6.988 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.709 -4.309 -10.193 1.00 55.14 C HETATM 1672 CBB HEC A 500 15.070 -2.981 -9.775 1.00 1.25 C HETATM 1673 NC HEC A 500 20.191 -7.366 -10.379 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.290 -6.819 -11.216 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.478 -7.420 -12.521 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.459 -8.379 -12.386 1.00 62.35 C HETATM 1677 C4C HEC A 500 20.992 -8.240 -11.048 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.607 -7.209 -13.736 1.00 14.53 C HETATM 1679 CAC HEC A 500 20.850 -9.456 -13.390 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.443 -8.915 -14.697 1.00 35.45 C HETATM 1681 ND HEC A 500 22.074 -7.996 -8.271 1.00 31.33 N HETATM 1682 C1D HEC A 500 22.606 -8.739 -9.275 1.00 44.31 C HETATM 1683 C2D HEC A 500 23.836 -9.319 -8.782 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.024 -8.846 -7.508 1.00 2.54 C HETATM 1685 C4D HEC A 500 22.887 -8.031 -7.191 1.00 41.22 C HETATM 1686 CMD HEC A 500 24.771 -10.236 -9.524 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.258 -9.031 -6.659 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.343 -8.026 -7.041 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.242 -7.682 -5.872 1.00 13.34 C HETATM 1690 O1D HEC A 500 28.396 -7.282 -6.121 1.00 32.14 O HETATM 1691 O2D HEC A 500 26.784 -7.850 -4.726 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.238 -11.141 -9.815 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.143 -9.732 -10.416 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 25.609 -10.500 -8.879 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.589 -7.530 -13.514 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.604 -6.152 -14.003 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 18.998 -7.792 -14.570 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.112 -5.259 -6.392 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.817 -3.626 -6.326 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.684 -4.054 -7.630 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.339 -5.820 -2.252 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 20.016 -4.250 -2.744 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.417 -4.754 -3.339 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 26.945 -8.435 -7.852 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 25.876 -7.116 -7.418 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.714 -8.271 -15.188 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.344 -8.342 -14.478 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 21.694 -9.747 -15.355 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.539 -3.113 -8.832 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.847 -2.226 -9.651 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.368 -2.657 -10.544 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 22.725 -8.636 -3.598 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 23.017 -8.203 -1.925 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.001 -8.911 -5.607 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 25.638 -10.045 -6.780 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.228 -6.216 -3.356 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 21.876 -6.030 -2.256 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.628 -9.603 -11.225 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.808 -5.367 -11.705 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.564 -5.077 -5.247 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.526 -7.477 -5.253 1.00 70.41 H new HETATM 0 H2A HEC A 500 20.390 -7.238 -1.300 1.00 64.43 H new