USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 897 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 139:sc= 0.0447 USER MOD Set 1.2: A 97 MET CE :methyl 143:sc= -2.02 (180deg=-1.52) USER MOD Set 2.1: A 43 SER OG : rot -117:sc= -0.251 USER MOD Set 2.2: A 111 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 2 SER OG : rot 86:sc= 0.514 USER MOD Set 4.2: A 3 HIS : no HD1:sc= -0.0788 K(o=0.43,f=-4.4) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= -1.33 (180deg=-1.52) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.104 K(o=-0.1,f=-3.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -73:sc= 0.869 USER MOD Single : A 32 THR OG1 : rot 81:sc= -0.898 USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= -0.0366 (180deg=-0.821) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -5.22! C(o=-5.8!,f=-5.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.23) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.862 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 138:sc= -5.7! (180deg=-10.1!) USER MOD Single : A 59 MET CE :methyl -142:sc= -0.449 (180deg=-2.17!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -24:sc= 0.278 USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -1.39 (180deg=-4.07!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.0491 (180deg=-0.392) USER MOD Single : A 75 ASN : amide:sc=-0.00269 X(o=-0.0027,f=-0.44) USER MOD Single : A 78 ASN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.52) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -174:sc= -0.0463 (180deg=-0.0977) USER MOD Single : A 90 SER OG : rot 43:sc= 0.883 USER MOD Single : A 92 ASN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 99 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.4) USER MOD Single : A 101 LYS NZ :NH3+ -103:sc= 1.2 (180deg=-0.198) USER MOD Single : A 102 MET CE :methyl -172:sc= -3.1! (180deg=-3.26) USER MOD Single : A 103 THR OG1 : rot -160:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 SER OG : rot 96:sc= 1.23 USER MOD Single : A 112 LYS NZ :NH3+ -108:sc= 0.516 (180deg=-0.683) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -11.157 -4.811 11.723 1.00 0.00 N ATOM 18 CA SER A 2 -9.777 -4.552 12.117 1.00 0.00 C ATOM 19 C SER A 2 -8.865 -5.697 11.686 1.00 0.00 C ATOM 20 O SER A 2 -9.163 -6.866 11.927 1.00 0.00 O ATOM 21 CB SER A 2 -9.687 -4.359 13.632 1.00 0.00 C ATOM 22 OG SER A 2 -9.730 -5.603 14.310 1.00 0.00 O ATOM 0 HA SER A 2 -9.447 -3.640 11.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.762 -3.838 13.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.509 -3.729 13.971 1.00 0.00 H new ATOM 0 HG SER A 2 -8.827 -5.982 14.356 1.00 0.00 H new ATOM 28 N HIS A 3 -7.750 -5.351 11.051 1.00 0.00 N ATOM 29 CA HIS A 3 -6.790 -6.347 10.589 1.00 0.00 C ATOM 30 C HIS A 3 -7.392 -7.231 9.506 1.00 0.00 C ATOM 31 O HIS A 3 -7.060 -8.409 9.387 1.00 0.00 O ATOM 32 CB HIS A 3 -6.311 -7.192 11.767 1.00 0.00 C ATOM 33 CG HIS A 3 -5.855 -6.362 12.923 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.722 -5.832 13.853 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.618 -5.948 13.281 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.040 -5.122 14.733 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.760 -5.177 14.410 1.00 0.00 N ATOM 0 H HIS A 3 -7.489 -4.387 10.844 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.937 -5.827 10.154 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.119 -7.847 12.092 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.493 -7.833 11.440 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.693 -6.180 12.775 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.457 -4.587 15.574 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.001 -4.721 14.916 1.00 0.00 H new ATOM 46 N SER A 4 -8.269 -6.636 8.710 1.00 0.00 N ATOM 47 CA SER A 4 -8.923 -7.337 7.612 1.00 0.00 C ATOM 48 C SER A 4 -9.916 -6.426 6.910 1.00 0.00 C ATOM 49 O SER A 4 -10.597 -5.620 7.546 1.00 0.00 O ATOM 50 CB SER A 4 -9.641 -8.598 8.096 1.00 0.00 C ATOM 51 OG SER A 4 -10.604 -8.288 9.088 1.00 0.00 O ATOM 0 H SER A 4 -8.547 -5.659 8.805 1.00 0.00 H new ATOM 0 HA SER A 4 -8.144 -7.633 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.128 -9.089 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.913 -9.303 8.499 1.00 0.00 H new ATOM 0 HG SER A 4 -11.050 -9.111 9.379 1.00 0.00 H new ATOM 57 N GLY A 5 -9.996 -6.560 5.596 1.00 0.00 N ATOM 58 CA GLY A 5 -10.910 -5.748 4.825 1.00 0.00 C ATOM 59 C GLY A 5 -10.883 -6.091 3.360 1.00 0.00 C ATOM 60 O GLY A 5 -9.872 -5.898 2.683 1.00 0.00 O ATOM 0 H GLY A 5 -9.442 -7.219 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.922 -5.880 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.655 -4.696 4.954 1.00 0.00 H new ATOM 64 N ALA A 6 -12.001 -6.610 2.871 1.00 0.00 N ATOM 65 CA ALA A 6 -12.121 -6.995 1.474 1.00 0.00 C ATOM 66 C ALA A 6 -11.544 -5.925 0.552 1.00 0.00 C ATOM 67 O ALA A 6 -12.178 -4.905 0.284 1.00 0.00 O ATOM 68 CB ALA A 6 -13.567 -7.294 1.142 1.00 0.00 C ATOM 0 H ALA A 6 -12.841 -6.774 3.426 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.538 -7.901 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.648 -7.582 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.923 -8.110 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.173 -6.406 1.322 1.00 0.00 H new ATOM 74 N ALA A 7 -10.319 -6.166 0.092 1.00 0.00 N ATOM 75 CA ALA A 7 -9.621 -5.226 -0.782 1.00 0.00 C ATOM 76 C ALA A 7 -9.361 -5.815 -2.167 1.00 0.00 C ATOM 77 O ALA A 7 -9.216 -7.023 -2.321 1.00 0.00 O ATOM 78 CB ALA A 7 -8.301 -4.815 -0.142 1.00 0.00 C ATOM 0 H ALA A 7 -9.787 -7.008 0.311 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.263 -4.354 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.782 -4.114 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.495 -4.339 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.680 -5.698 0.009 1.00 0.00 H new ATOM 84 N ILE A 8 -9.282 -4.944 -3.171 1.00 0.00 N ATOM 85 CA ILE A 8 -9.014 -5.382 -4.536 1.00 0.00 C ATOM 86 C ILE A 8 -7.539 -5.221 -4.858 1.00 0.00 C ATOM 87 O ILE A 8 -6.980 -4.130 -4.738 1.00 0.00 O ATOM 88 CB ILE A 8 -9.861 -4.605 -5.575 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.210 -5.294 -5.759 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.147 -4.477 -6.915 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.377 -4.458 -5.313 1.00 0.00 C ATOM 0 H ILE A 8 -9.399 -3.936 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.293 -6.434 -4.598 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.013 -3.596 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.338 -5.550 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.210 -6.230 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.778 -3.925 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.207 -3.944 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.945 -5.470 -7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.303 -5.011 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.273 -4.224 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.403 -3.533 -5.889 1.00 0.00 H new ATOM 103 N PHE A 9 -6.915 -6.311 -5.265 1.00 0.00 N ATOM 104 CA PHE A 9 -5.494 -6.278 -5.605 1.00 0.00 C ATOM 105 C PHE A 9 -5.280 -6.494 -7.097 1.00 0.00 C ATOM 106 O PHE A 9 -5.818 -7.434 -7.682 1.00 0.00 O ATOM 107 CB PHE A 9 -4.721 -7.327 -4.809 1.00 0.00 C ATOM 108 CG PHE A 9 -3.231 -7.154 -4.890 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.642 -5.942 -4.563 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.420 -8.202 -5.296 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.273 -5.778 -4.640 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.049 -8.042 -5.375 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.475 -6.829 -5.046 1.00 0.00 C ATOM 0 H PHE A 9 -7.359 -7.223 -5.369 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.116 -5.290 -5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.029 -7.281 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.985 -8.319 -5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.261 -5.117 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.863 -9.153 -5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.827 -4.829 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.427 -8.865 -5.694 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.596 -6.703 -5.106 1.00 0.00 H new ATOM 123 N GLU A 10 -4.489 -5.619 -7.709 1.00 0.00 N ATOM 124 CA GLU A 10 -4.201 -5.714 -9.137 1.00 0.00 C ATOM 125 C GLU A 10 -5.486 -5.714 -9.950 1.00 0.00 C ATOM 126 O GLU A 10 -5.582 -6.395 -10.971 1.00 0.00 O ATOM 127 CB GLU A 10 -3.398 -6.982 -9.430 1.00 0.00 C ATOM 128 CG GLU A 10 -2.130 -7.100 -8.602 1.00 0.00 C ATOM 129 CD GLU A 10 -1.321 -8.334 -8.949 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.713 -9.440 -8.522 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.295 -8.194 -9.647 1.00 0.00 O ATOM 0 H GLU A 10 -4.035 -4.836 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.612 -4.843 -9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.027 -7.852 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.135 -7.000 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.516 -6.212 -8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.392 -7.127 -7.544 1.00 0.00 H new ATOM 138 N LYS A 11 -6.483 -4.963 -9.480 1.00 0.00 N ATOM 139 CA LYS A 11 -7.772 -4.897 -10.156 1.00 0.00 C ATOM 140 C LYS A 11 -8.576 -6.162 -9.883 1.00 0.00 C ATOM 141 O LYS A 11 -9.703 -6.308 -10.359 1.00 0.00 O ATOM 142 CB LYS A 11 -7.596 -4.696 -11.665 1.00 0.00 C ATOM 143 CG LYS A 11 -6.581 -3.620 -12.023 1.00 0.00 C ATOM 144 CD LYS A 11 -6.521 -3.388 -13.524 1.00 0.00 C ATOM 145 CE LYS A 11 -7.479 -2.291 -13.957 1.00 0.00 C ATOM 146 NZ LYS A 11 -8.834 -2.470 -13.369 1.00 0.00 N ATOM 0 H LYS A 11 -6.420 -4.394 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.316 -4.039 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.287 -5.639 -12.115 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.559 -4.435 -12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.843 -2.689 -11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.596 -3.912 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.505 -3.119 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.766 -4.313 -14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.079 -1.322 -13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.554 -2.283 -15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.478 -1.751 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.192 -3.418 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.780 -2.367 -12.336 1.00 0.00 H new ATOM 160 N VAL A 12 -7.997 -7.068 -9.096 1.00 0.00 N ATOM 161 CA VAL A 12 -8.666 -8.302 -8.738 1.00 0.00 C ATOM 162 C VAL A 12 -9.253 -8.169 -7.357 1.00 0.00 C ATOM 163 O VAL A 12 -8.801 -7.358 -6.553 1.00 0.00 O ATOM 164 CB VAL A 12 -7.716 -9.513 -8.788 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.334 -10.729 -8.109 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.384 -9.827 -10.226 1.00 0.00 C ATOM 0 H VAL A 12 -7.064 -6.963 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.456 -8.478 -9.468 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.803 -9.263 -8.248 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.639 -11.567 -8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.543 -10.496 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.262 -10.995 -8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.712 -10.684 -10.265 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.300 -10.060 -10.769 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.900 -8.965 -10.684 1.00 0.00 H new ATOM 176 N SER A 13 -10.272 -8.948 -7.086 1.00 0.00 N ATOM 177 CA SER A 13 -10.923 -8.876 -5.795 1.00 0.00 C ATOM 178 C SER A 13 -10.418 -9.939 -4.828 1.00 0.00 C ATOM 179 O SER A 13 -10.011 -11.028 -5.229 1.00 0.00 O ATOM 180 CB SER A 13 -12.425 -8.995 -5.958 1.00 0.00 C ATOM 181 OG SER A 13 -12.832 -8.626 -7.264 1.00 0.00 O ATOM 0 H SER A 13 -10.667 -9.632 -7.731 1.00 0.00 H new ATOM 0 HA SER A 13 -10.676 -7.905 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.735 -10.020 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.924 -8.360 -5.226 1.00 0.00 H new ATOM 0 HG SER A 13 -13.805 -8.714 -7.341 1.00 0.00 H new ATOM 187 N GLY A 14 -10.455 -9.591 -3.550 1.00 0.00 N ATOM 188 CA GLY A 14 -10.010 -10.481 -2.498 1.00 0.00 C ATOM 189 C GLY A 14 -10.047 -9.780 -1.161 1.00 0.00 C ATOM 190 O GLY A 14 -10.417 -8.609 -1.089 1.00 0.00 O ATOM 0 H GLY A 14 -10.793 -8.688 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.646 -11.366 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.997 -10.823 -2.708 1.00 0.00 H new ATOM 194 N ILE A 15 -9.662 -10.466 -0.096 1.00 0.00 N ATOM 195 CA ILE A 15 -9.662 -9.839 1.215 1.00 0.00 C ATOM 196 C ILE A 15 -8.247 -9.551 1.663 1.00 0.00 C ATOM 197 O ILE A 15 -7.333 -10.345 1.445 1.00 0.00 O ATOM 198 CB ILE A 15 -10.391 -10.682 2.296 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.899 -10.802 2.003 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.196 -10.056 3.678 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.325 -10.368 0.615 1.00 0.00 C ATOM 0 H ILE A 15 -9.352 -11.437 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.217 -8.907 1.107 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.955 -11.681 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.200 -11.839 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.443 -10.206 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.712 -10.657 4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.132 -10.019 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.604 -9.045 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.403 -10.491 0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.063 -9.321 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.816 -10.980 -0.130 1.00 0.00 H new ATOM 213 N ILE A 16 -8.078 -8.405 2.300 1.00 0.00 N ATOM 214 CA ILE A 16 -6.782 -7.998 2.792 1.00 0.00 C ATOM 215 C ILE A 16 -6.769 -8.140 4.303 1.00 0.00 C ATOM 216 O ILE A 16 -7.562 -7.512 5.000 1.00 0.00 O ATOM 217 CB ILE A 16 -6.462 -6.536 2.377 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.253 -6.493 1.441 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.226 -5.639 3.580 1.00 0.00 C ATOM 220 CD1 ILE A 16 -4.922 -5.101 0.952 1.00 0.00 C ATOM 0 H ILE A 16 -8.829 -7.740 2.487 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.013 -8.636 2.355 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.336 -6.155 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.387 -6.904 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.445 -7.136 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.006 -4.627 3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.119 -5.626 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.384 -6.019 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.055 -5.143 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.773 -4.695 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.699 -4.459 1.804 1.00 0.00 H new ATOM 232 N ALA A 17 -5.887 -8.992 4.799 1.00 0.00 N ATOM 233 CA ALA A 17 -5.800 -9.236 6.228 1.00 0.00 C ATOM 234 C ALA A 17 -4.423 -8.875 6.765 1.00 0.00 C ATOM 235 O ALA A 17 -3.403 -9.144 6.130 1.00 0.00 O ATOM 236 CB ALA A 17 -6.152 -10.685 6.523 1.00 0.00 C ATOM 0 H ALA A 17 -5.224 -9.524 4.235 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.518 -8.595 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.086 -10.864 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.167 -10.889 6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.456 -11.342 6.002 1.00 0.00 H new ATOM 242 N ILE A 18 -4.407 -8.244 7.934 1.00 0.00 N ATOM 243 CA ILE A 18 -3.166 -7.815 8.559 1.00 0.00 C ATOM 244 C ILE A 18 -2.891 -8.597 9.843 1.00 0.00 C ATOM 245 O ILE A 18 -3.802 -8.876 10.620 1.00 0.00 O ATOM 246 CB ILE A 18 -3.219 -6.303 8.864 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.315 -5.515 7.556 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.009 -5.861 9.675 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.631 -4.049 7.749 1.00 0.00 C ATOM 0 H ILE A 18 -5.246 -8.018 8.469 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.353 -8.014 7.861 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.106 -6.101 9.465 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.372 -5.606 7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.085 -5.964 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.075 -4.791 9.874 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.986 -6.405 10.619 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.099 -6.070 9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.683 -3.557 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.589 -3.947 8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.849 -3.584 8.350 1.00 0.00 H new ATOM 261 N ASN A 19 -1.627 -8.949 10.053 1.00 0.00 N ATOM 262 CA ASN A 19 -1.227 -9.700 11.237 1.00 0.00 C ATOM 263 C ASN A 19 -0.084 -9.000 11.965 1.00 0.00 C ATOM 264 O ASN A 19 1.025 -8.893 11.443 1.00 0.00 O ATOM 265 CB ASN A 19 -0.805 -11.118 10.848 1.00 0.00 C ATOM 266 CG ASN A 19 -0.690 -12.037 12.050 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.189 -11.727 13.132 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.028 -13.174 11.865 1.00 0.00 N ATOM 0 H ASN A 19 -0.861 -8.726 9.417 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.084 -9.754 11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.530 -11.531 10.147 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.153 -11.080 10.330 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.083 -13.831 12.637 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.369 -13.390 10.951 1.00 0.00 H new ATOM 275 N GLU A 20 -0.362 -8.526 13.176 1.00 0.00 N ATOM 276 CA GLU A 20 0.644 -7.838 13.975 1.00 0.00 C ATOM 277 C GLU A 20 1.470 -8.826 14.797 1.00 0.00 C ATOM 278 O GLU A 20 2.306 -8.424 15.606 1.00 0.00 O ATOM 279 CB GLU A 20 -0.019 -6.816 14.901 1.00 0.00 C ATOM 280 CG GLU A 20 -0.797 -5.741 14.159 1.00 0.00 C ATOM 281 CD GLU A 20 -1.386 -4.698 15.090 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.391 -4.932 16.317 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.845 -3.648 14.592 1.00 0.00 O ATOM 0 H GLU A 20 -1.275 -8.606 13.624 1.00 0.00 H new ATOM 0 HA GLU A 20 1.315 -7.319 13.290 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.693 -7.337 15.581 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.748 -6.341 15.513 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.139 -5.251 13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.600 -6.208 13.588 1.00 0.00 H new ATOM 290 N ASP A 21 1.243 -10.118 14.577 1.00 0.00 N ATOM 291 CA ASP A 21 1.977 -11.152 15.289 1.00 0.00 C ATOM 292 C ASP A 21 3.358 -11.345 14.672 1.00 0.00 C ATOM 293 O ASP A 21 4.252 -11.922 15.292 1.00 0.00 O ATOM 294 CB ASP A 21 1.205 -12.471 15.248 1.00 0.00 C ATOM 295 CG ASP A 21 -0.115 -12.393 15.990 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.285 -11.460 16.802 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.978 -13.266 15.761 1.00 0.00 O ATOM 0 H ASP A 21 0.556 -10.471 13.911 1.00 0.00 H new ATOM 0 HA ASP A 21 2.094 -10.839 16.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.019 -12.748 14.210 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.817 -13.261 15.684 1.00 0.00 H new ATOM 302 N VAL A 22 3.523 -10.857 13.446 1.00 0.00 N ATOM 303 CA VAL A 22 4.792 -10.975 12.743 1.00 0.00 C ATOM 304 C VAL A 22 5.576 -9.667 12.807 1.00 0.00 C ATOM 305 O VAL A 22 4.994 -8.588 12.910 1.00 0.00 O ATOM 306 CB VAL A 22 4.599 -11.375 11.261 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.925 -12.847 11.058 1.00 0.00 C ATOM 308 CG2 VAL A 22 3.187 -11.067 10.780 1.00 0.00 C ATOM 0 H VAL A 22 2.793 -10.376 12.921 1.00 0.00 H new ATOM 0 HA VAL A 22 5.352 -11.763 13.245 1.00 0.00 H new ATOM 0 HB VAL A 22 5.290 -10.780 10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.783 -13.110 10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.961 -13.033 11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.265 -13.455 11.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.086 -11.361 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.468 -11.621 11.383 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.995 -9.998 10.877 1.00 0.00 H new ATOM 318 N SER A 23 6.900 -9.772 12.743 1.00 0.00 N ATOM 319 CA SER A 23 7.762 -8.598 12.793 1.00 0.00 C ATOM 320 C SER A 23 8.775 -8.615 11.644 1.00 0.00 C ATOM 321 O SER A 23 9.640 -9.488 11.589 1.00 0.00 O ATOM 322 CB SER A 23 8.493 -8.534 14.135 1.00 0.00 C ATOM 323 OG SER A 23 9.669 -7.748 14.044 1.00 0.00 O ATOM 0 H SER A 23 7.398 -10.658 12.656 1.00 0.00 H new ATOM 0 HA SER A 23 7.136 -7.712 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.831 -8.115 14.893 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.751 -9.542 14.459 1.00 0.00 H new ATOM 0 HG SER A 23 10.115 -7.724 14.917 1.00 0.00 H new ATOM 329 N PRO A 24 8.682 -7.649 10.707 1.00 0.00 N ATOM 330 CA PRO A 24 7.667 -6.592 10.739 1.00 0.00 C ATOM 331 C PRO A 24 6.284 -7.120 10.384 1.00 0.00 C ATOM 332 O PRO A 24 6.149 -8.039 9.577 1.00 0.00 O ATOM 333 CB PRO A 24 8.146 -5.606 9.674 1.00 0.00 C ATOM 334 CG PRO A 24 8.941 -6.428 8.724 1.00 0.00 C ATOM 335 CD PRO A 24 9.572 -7.521 9.539 1.00 0.00 C ATOM 0 HA PRO A 24 7.566 -6.151 11.731 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.305 -5.125 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.751 -4.813 10.113 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.305 -6.843 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.701 -5.824 8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.632 -8.454 8.978 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.588 -7.262 9.837 1.00 0.00 H new ATOM 343 N ALA A 25 5.253 -6.531 10.987 1.00 0.00 N ATOM 344 CA ALA A 25 3.876 -6.941 10.725 1.00 0.00 C ATOM 345 C ALA A 25 3.643 -7.109 9.227 1.00 0.00 C ATOM 346 O ALA A 25 4.100 -6.294 8.427 1.00 0.00 O ATOM 347 CB ALA A 25 2.902 -5.929 11.305 1.00 0.00 C ATOM 0 H ALA A 25 5.345 -5.769 11.659 1.00 0.00 H new ATOM 0 HA ALA A 25 3.705 -7.903 11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.880 -6.249 11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.051 -5.856 12.382 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.075 -4.955 10.848 1.00 0.00 H new ATOM 353 N GLU A 26 2.952 -8.177 8.850 1.00 0.00 N ATOM 354 CA GLU A 26 2.691 -8.447 7.443 1.00 0.00 C ATOM 355 C GLU A 26 1.201 -8.418 7.122 1.00 0.00 C ATOM 356 O GLU A 26 0.356 -8.691 7.975 1.00 0.00 O ATOM 357 CB GLU A 26 3.277 -9.804 7.050 1.00 0.00 C ATOM 358 CG GLU A 26 4.781 -9.896 7.247 1.00 0.00 C ATOM 359 CD GLU A 26 5.351 -11.224 6.785 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.557 -12.154 6.528 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.589 -11.333 6.681 1.00 0.00 O ATOM 0 H GLU A 26 2.565 -8.866 9.494 1.00 0.00 H new ATOM 0 HA GLU A 26 3.171 -7.657 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.793 -10.584 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.043 -10.003 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.265 -9.087 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.015 -9.752 8.302 1.00 0.00 H new ATOM 368 N LEU A 27 0.901 -8.095 5.871 1.00 0.00 N ATOM 369 CA LEU A 27 -0.469 -8.035 5.382 1.00 0.00 C ATOM 370 C LEU A 27 -0.626 -9.001 4.219 1.00 0.00 C ATOM 371 O LEU A 27 0.189 -9.005 3.299 1.00 0.00 O ATOM 372 CB LEU A 27 -0.809 -6.606 4.941 1.00 0.00 C ATOM 373 CG LEU A 27 -2.087 -6.459 4.109 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.645 -5.051 4.239 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.815 -6.792 2.649 1.00 0.00 C ATOM 0 H LEU A 27 1.602 -7.867 5.166 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.155 -8.319 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.901 -5.982 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.028 -6.214 4.362 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.829 -7.161 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.553 -4.963 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.877 -4.847 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.906 -4.333 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.734 -6.682 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.058 -6.114 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.458 -7.819 2.570 1.00 0.00 H new ATOM 387 N THR A 28 -1.660 -9.830 4.264 1.00 0.00 N ATOM 388 CA THR A 28 -1.881 -10.807 3.206 1.00 0.00 C ATOM 389 C THR A 28 -3.229 -10.616 2.524 1.00 0.00 C ATOM 390 O THR A 28 -4.274 -10.580 3.176 1.00 0.00 O ATOM 391 CB THR A 28 -1.781 -12.224 3.770 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.578 -12.390 4.501 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.822 -13.296 2.703 1.00 0.00 C ATOM 0 H THR A 28 -2.352 -9.847 5.013 1.00 0.00 H new ATOM 0 HA THR A 28 -1.106 -10.655 2.455 1.00 0.00 H new ATOM 0 HB THR A 28 -2.653 -12.341 4.414 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.534 -13.303 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.747 -14.278 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.761 -13.227 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.988 -13.157 2.015 1.00 0.00 H new ATOM 401 N TRP A 29 -3.191 -10.516 1.201 1.00 0.00 N ATOM 402 CA TRP A 29 -4.383 -10.352 0.399 1.00 0.00 C ATOM 403 C TRP A 29 -4.778 -11.688 -0.212 1.00 0.00 C ATOM 404 O TRP A 29 -3.966 -12.346 -0.860 1.00 0.00 O ATOM 405 CB TRP A 29 -4.125 -9.337 -0.713 1.00 0.00 C ATOM 406 CG TRP A 29 -5.275 -9.205 -1.655 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.461 -8.603 -1.392 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.355 -9.697 -2.995 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.282 -8.676 -2.489 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.627 -9.347 -3.490 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.477 -10.397 -3.829 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.039 -9.673 -4.779 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.890 -10.721 -5.108 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.161 -10.358 -5.573 1.00 0.00 C ATOM 0 H TRP A 29 -2.328 -10.547 0.659 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.192 -9.991 1.033 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.912 -8.365 -0.269 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.237 -9.634 -1.271 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.722 -8.134 -0.455 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.226 -8.294 -2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.495 -10.679 -3.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.018 -9.395 -5.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.221 -11.263 -5.760 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.453 -10.624 -6.578 1.00 0.00 H new ATOM 425 N ARG A 30 -6.025 -12.087 -0.005 1.00 0.00 N ATOM 426 CA ARG A 30 -6.508 -13.351 -0.545 1.00 0.00 C ATOM 427 C ARG A 30 -7.703 -13.128 -1.462 1.00 0.00 C ATOM 428 O ARG A 30 -8.754 -12.664 -1.026 1.00 0.00 O ATOM 429 CB ARG A 30 -6.888 -14.304 0.588 1.00 0.00 C ATOM 430 CG ARG A 30 -7.376 -15.661 0.106 1.00 0.00 C ATOM 431 CD ARG A 30 -7.121 -16.745 1.140 1.00 0.00 C ATOM 432 NE ARG A 30 -7.755 -18.010 0.774 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.416 -19.187 1.293 1.00 0.00 C ATOM 434 NH1 ARG A 30 -6.449 -19.267 2.200 1.00 0.00 N ATOM 435 NH2 ARG A 30 -8.042 -20.289 0.905 1.00 0.00 N ATOM 0 H ARG A 30 -6.716 -11.559 0.528 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.704 -13.799 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.023 -14.448 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.667 -13.842 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.443 -15.609 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.873 -15.920 -0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.047 -16.896 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.498 -16.418 2.109 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.502 -17.989 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.962 -18.423 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.193 -20.172 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.785 -20.235 0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.781 -21.191 1.304 1.00 0.00 H new ATOM 449 N SER A 31 -7.533 -13.464 -2.740 1.00 0.00 N ATOM 450 CA SER A 31 -8.599 -13.301 -3.725 1.00 0.00 C ATOM 451 C SER A 31 -9.930 -13.813 -3.183 1.00 0.00 C ATOM 452 O SER A 31 -9.971 -14.504 -2.165 1.00 0.00 O ATOM 453 CB SER A 31 -8.245 -14.039 -5.017 1.00 0.00 C ATOM 454 OG SER A 31 -7.443 -15.176 -4.750 1.00 0.00 O ATOM 0 H SER A 31 -6.667 -13.850 -3.117 1.00 0.00 H new ATOM 0 HA SER A 31 -8.701 -12.237 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.158 -14.346 -5.527 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.715 -13.366 -5.691 1.00 0.00 H new ATOM 0 HG SER A 31 -6.536 -14.889 -4.516 1.00 0.00 H new ATOM 460 N THR A 32 -11.017 -13.478 -3.871 1.00 0.00 N ATOM 461 CA THR A 32 -12.339 -13.912 -3.458 1.00 0.00 C ATOM 462 C THR A 32 -12.512 -15.387 -3.765 1.00 0.00 C ATOM 463 O THR A 32 -13.052 -16.152 -2.966 1.00 0.00 O ATOM 464 CB THR A 32 -13.416 -13.096 -4.175 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.830 -12.113 -5.011 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.357 -12.388 -3.229 1.00 0.00 C ATOM 0 H THR A 32 -11.004 -12.907 -4.716 1.00 0.00 H new ATOM 0 HA THR A 32 -12.443 -13.755 -2.384 1.00 0.00 H new ATOM 0 HB THR A 32 -13.986 -13.820 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.552 -12.525 -5.855 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.096 -11.828 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.864 -13.122 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.791 -11.702 -2.598 1.00 0.00 H new ATOM 474 N ASP A 33 -12.038 -15.769 -4.937 1.00 0.00 N ATOM 475 CA ASP A 33 -12.117 -17.145 -5.385 1.00 0.00 C ATOM 476 C ASP A 33 -10.976 -17.978 -4.807 1.00 0.00 C ATOM 477 O ASP A 33 -11.059 -19.205 -4.748 1.00 0.00 O ATOM 478 CB ASP A 33 -12.093 -17.211 -6.913 1.00 0.00 C ATOM 479 CG ASP A 33 -12.320 -18.618 -7.435 1.00 0.00 C ATOM 480 OD1 ASP A 33 -12.761 -19.480 -6.645 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.059 -18.855 -8.632 1.00 0.00 O ATOM 0 H ASP A 33 -11.590 -15.137 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.059 -17.560 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.860 -16.549 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.133 -16.843 -7.275 1.00 0.00 H new ATOM 486 N GLY A 34 -9.910 -17.304 -4.385 1.00 0.00 N ATOM 487 CA GLY A 34 -8.768 -18.000 -3.822 1.00 0.00 C ATOM 488 C GLY A 34 -7.788 -18.451 -4.886 1.00 0.00 C ATOM 489 O GLY A 34 -7.168 -19.507 -4.761 1.00 0.00 O ATOM 0 H GLY A 34 -9.817 -16.289 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.258 -17.345 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.115 -18.867 -3.260 1.00 0.00 H new ATOM 493 N ASP A 35 -7.654 -17.651 -5.940 1.00 0.00 N ATOM 494 CA ASP A 35 -6.749 -17.979 -7.035 1.00 0.00 C ATOM 495 C ASP A 35 -5.470 -17.145 -6.978 1.00 0.00 C ATOM 496 O ASP A 35 -4.458 -17.511 -7.576 1.00 0.00 O ATOM 497 CB ASP A 35 -7.448 -17.767 -8.379 1.00 0.00 C ATOM 498 CG ASP A 35 -6.594 -18.210 -9.551 1.00 0.00 C ATOM 499 OD1 ASP A 35 -6.602 -19.417 -9.869 1.00 0.00 O ATOM 500 OD2 ASP A 35 -5.916 -17.348 -10.151 1.00 0.00 O ATOM 0 H ASP A 35 -8.160 -16.773 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.471 -19.028 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.387 -18.320 -8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.698 -16.712 -8.493 1.00 0.00 H new ATOM 505 N LYS A 36 -5.519 -16.026 -6.263 1.00 0.00 N ATOM 506 CA LYS A 36 -4.356 -15.152 -6.143 1.00 0.00 C ATOM 507 C LYS A 36 -4.146 -14.701 -4.701 1.00 0.00 C ATOM 508 O LYS A 36 -5.105 -14.461 -3.968 1.00 0.00 O ATOM 509 CB LYS A 36 -4.509 -13.930 -7.048 1.00 0.00 C ATOM 510 CG LYS A 36 -3.612 -13.970 -8.274 1.00 0.00 C ATOM 511 CD LYS A 36 -4.418 -13.988 -9.562 1.00 0.00 C ATOM 512 CE LYS A 36 -4.069 -12.810 -10.458 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.159 -12.503 -11.424 1.00 0.00 N ATOM 0 H LYS A 36 -6.346 -15.704 -5.760 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.482 -15.724 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.548 -13.853 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.286 -13.031 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.952 -13.102 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.976 -14.854 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.231 -14.920 -10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.482 -13.964 -9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.872 -11.932 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.151 -13.029 -11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.081 -11.513 -11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.078 -13.130 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.081 -12.651 -10.966 1.00 0.00 H new ATOM 527 N VAL A 37 -2.883 -14.578 -4.308 1.00 0.00 N ATOM 528 CA VAL A 37 -2.539 -14.144 -2.958 1.00 0.00 C ATOM 529 C VAL A 37 -1.353 -13.181 -2.977 1.00 0.00 C ATOM 530 O VAL A 37 -0.397 -13.373 -3.728 1.00 0.00 O ATOM 531 CB VAL A 37 -2.205 -15.343 -2.048 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.922 -14.875 -0.627 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.339 -16.357 -2.066 1.00 0.00 C ATOM 0 H VAL A 37 -2.079 -14.773 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.413 -13.631 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.307 -15.827 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.688 -15.736 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.075 -14.189 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.800 -14.365 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.087 -17.197 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.254 -15.885 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.490 -16.716 -3.084 1.00 0.00 H new ATOM 543 N HIS A 38 -1.421 -12.149 -2.141 1.00 0.00 N ATOM 544 CA HIS A 38 -0.351 -11.159 -2.056 1.00 0.00 C ATOM 545 C HIS A 38 -0.004 -10.852 -0.606 1.00 0.00 C ATOM 546 O HIS A 38 -0.865 -10.870 0.268 1.00 0.00 O ATOM 547 CB HIS A 38 -0.740 -9.870 -2.773 1.00 0.00 C ATOM 548 CG HIS A 38 0.381 -8.881 -2.875 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.525 -7.645 -2.340 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.532 -9.119 -3.598 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 1.746 -7.165 -2.744 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.333 -8.072 -3.501 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.206 -11.976 -1.513 1.00 0.00 H new ATOM 0 HA HIS A 38 0.525 -11.584 -2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.092 -10.113 -3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.575 -9.408 -2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.745 -10.019 -4.155 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.159 -6.201 -2.484 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.250 -7.981 -3.938 1.00 0.00 H new ATOM 561 N THR A 39 1.268 -10.579 -0.361 1.00 0.00 N ATOM 562 CA THR A 39 1.738 -10.273 0.987 1.00 0.00 C ATOM 563 C THR A 39 2.556 -8.983 1.011 1.00 0.00 C ATOM 564 O THR A 39 3.411 -8.763 0.153 1.00 0.00 O ATOM 565 CB THR A 39 2.579 -11.432 1.527 1.00 0.00 C ATOM 566 OG1 THR A 39 1.856 -12.647 1.466 1.00 0.00 O ATOM 567 CG2 THR A 39 3.021 -11.230 2.961 1.00 0.00 C ATOM 0 H THR A 39 1.996 -10.562 -1.076 1.00 0.00 H new ATOM 0 HA THR A 39 0.864 -10.133 1.623 1.00 0.00 H new ATOM 0 HB THR A 39 3.464 -11.469 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.411 -13.376 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.613 -12.087 3.283 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.624 -10.325 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.145 -11.133 3.602 1.00 0.00 H new ATOM 575 N VAL A 40 2.297 -8.137 2.008 1.00 0.00 N ATOM 576 CA VAL A 40 3.022 -6.875 2.149 1.00 0.00 C ATOM 577 C VAL A 40 3.363 -6.583 3.603 1.00 0.00 C ATOM 578 O VAL A 40 2.551 -6.797 4.500 1.00 0.00 O ATOM 579 CB VAL A 40 2.220 -5.671 1.613 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.995 -4.375 1.839 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.882 -5.851 0.141 1.00 0.00 C ATOM 0 H VAL A 40 1.593 -8.302 2.727 1.00 0.00 H new ATOM 0 HA VAL A 40 3.931 -7.000 1.561 1.00 0.00 H new ATOM 0 HB VAL A 40 1.281 -5.613 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.417 -3.534 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.172 -4.238 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.950 -4.427 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.317 -4.988 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.803 -5.941 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.284 -6.753 0.013 1.00 0.00 H new ATOM 591 N VAL A 41 4.557 -6.057 3.820 1.00 0.00 N ATOM 592 CA VAL A 41 4.998 -5.687 5.155 1.00 0.00 C ATOM 593 C VAL A 41 4.565 -4.250 5.449 1.00 0.00 C ATOM 594 O VAL A 41 4.969 -3.318 4.753 1.00 0.00 O ATOM 595 CB VAL A 41 6.532 -5.821 5.281 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.214 -5.215 4.063 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.046 -5.200 6.575 1.00 0.00 C ATOM 0 H VAL A 41 5.241 -5.876 3.085 1.00 0.00 H new ATOM 0 HA VAL A 41 4.541 -6.360 5.880 1.00 0.00 H new ATOM 0 HB VAL A 41 6.779 -6.882 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.295 -5.316 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.883 -5.735 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.953 -4.159 3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.129 -5.314 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.791 -4.141 6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.586 -5.701 7.427 1.00 0.00 H new ATOM 607 N LEU A 42 3.720 -4.076 6.460 1.00 0.00 N ATOM 608 CA LEU A 42 3.208 -2.760 6.812 1.00 0.00 C ATOM 609 C LEU A 42 4.253 -1.893 7.514 1.00 0.00 C ATOM 610 O LEU A 42 4.286 -0.677 7.326 1.00 0.00 O ATOM 611 CB LEU A 42 1.977 -2.909 7.705 1.00 0.00 C ATOM 612 CG LEU A 42 1.054 -4.088 7.372 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.967 -4.327 5.868 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.505 -5.350 8.098 1.00 0.00 C ATOM 0 H LEU A 42 3.376 -4.833 7.050 1.00 0.00 H new ATOM 0 HA LEU A 42 2.942 -2.256 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.310 -3.012 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.396 -1.989 7.648 1.00 0.00 H new ATOM 0 HG LEU A 42 0.054 -3.831 7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.304 -5.170 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.574 -3.435 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.960 -4.547 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.836 -6.173 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.521 -5.602 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.481 -5.179 9.174 1.00 0.00 H new ATOM 626 N SER A 43 5.091 -2.514 8.336 1.00 0.00 N ATOM 627 CA SER A 43 6.118 -1.786 9.079 1.00 0.00 C ATOM 628 C SER A 43 6.936 -0.868 8.176 1.00 0.00 C ATOM 629 O SER A 43 7.493 0.129 8.634 1.00 0.00 O ATOM 630 CB SER A 43 7.044 -2.760 9.804 1.00 0.00 C ATOM 631 OG SER A 43 6.302 -3.742 10.507 1.00 0.00 O ATOM 0 H SER A 43 5.081 -3.520 8.506 1.00 0.00 H new ATOM 0 HA SER A 43 5.604 -1.162 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.703 -3.244 9.084 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.680 -2.213 10.500 1.00 0.00 H new ATOM 0 HG SER A 43 6.484 -3.664 11.467 1.00 0.00 H new ATOM 637 N THR A 44 7.013 -1.210 6.898 1.00 0.00 N ATOM 638 CA THR A 44 7.776 -0.408 5.942 1.00 0.00 C ATOM 639 C THR A 44 6.922 0.711 5.357 1.00 0.00 C ATOM 640 O THR A 44 7.446 1.722 4.890 1.00 0.00 O ATOM 641 CB THR A 44 8.335 -1.282 4.812 1.00 0.00 C ATOM 642 OG1 THR A 44 7.536 -1.179 3.646 1.00 0.00 O ATOM 643 CG2 THR A 44 8.423 -2.746 5.172 1.00 0.00 C ATOM 0 H THR A 44 6.561 -2.032 6.497 1.00 0.00 H new ATOM 0 HA THR A 44 8.610 0.038 6.484 1.00 0.00 H new ATOM 0 HB THR A 44 9.342 -0.904 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.914 -1.744 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.826 -3.305 4.327 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.077 -2.870 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.429 -3.122 5.414 1.00 0.00 H new ATOM 651 N ILE A 45 5.610 0.524 5.382 1.00 0.00 N ATOM 652 CA ILE A 45 4.689 1.522 4.847 1.00 0.00 C ATOM 653 C ILE A 45 5.004 2.906 5.402 1.00 0.00 C ATOM 654 O ILE A 45 4.586 3.260 6.506 1.00 0.00 O ATOM 655 CB ILE A 45 3.223 1.160 5.153 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.890 -0.204 4.548 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.280 2.228 4.614 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.968 -0.229 3.038 1.00 0.00 C ATOM 0 H ILE A 45 5.158 -0.306 5.765 1.00 0.00 H new ATOM 0 HA ILE A 45 4.822 1.534 3.765 1.00 0.00 H new ATOM 0 HB ILE A 45 3.092 1.110 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.576 -0.949 4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.886 -0.494 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.250 1.952 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.510 3.186 5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.404 2.311 3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.720 -1.227 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.262 0.492 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.978 0.030 2.722 1.00 0.00 H new ATOM 670 N ASP A 46 5.758 3.677 4.629 1.00 0.00 N ATOM 671 CA ASP A 46 6.156 5.017 5.030 1.00 0.00 C ATOM 672 C ASP A 46 4.990 5.999 4.974 1.00 0.00 C ATOM 673 O ASP A 46 5.018 7.031 5.646 1.00 0.00 O ATOM 674 CB ASP A 46 7.294 5.518 4.138 1.00 0.00 C ATOM 675 CG ASP A 46 8.159 6.554 4.829 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.093 6.649 6.072 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.902 7.270 4.126 1.00 0.00 O ATOM 0 H ASP A 46 6.108 3.393 3.714 1.00 0.00 H new ATOM 0 HA ASP A 46 6.496 4.960 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.914 4.674 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.876 5.947 3.227 1.00 0.00 H new ATOM 682 N LYS A 47 3.968 5.695 4.174 1.00 0.00 N ATOM 683 CA LYS A 47 2.825 6.594 4.062 1.00 0.00 C ATOM 684 C LYS A 47 1.576 5.869 3.583 1.00 0.00 C ATOM 685 O LYS A 47 1.630 5.049 2.667 1.00 0.00 O ATOM 686 CB LYS A 47 3.149 7.747 3.108 1.00 0.00 C ATOM 687 CG LYS A 47 4.258 8.659 3.606 1.00 0.00 C ATOM 688 CD LYS A 47 4.443 9.862 2.696 1.00 0.00 C ATOM 689 CE LYS A 47 5.641 10.698 3.113 1.00 0.00 C ATOM 690 NZ LYS A 47 5.268 11.756 4.090 1.00 0.00 N ATOM 0 H LYS A 47 3.909 4.850 3.605 1.00 0.00 H new ATOM 0 HA LYS A 47 2.623 6.987 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.436 7.336 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.248 8.339 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.026 8.998 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.191 8.099 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.574 9.525 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.544 10.477 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.400 10.050 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.086 11.159 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.114 12.303 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.562 12.390 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.867 11.316 4.942 1.00 0.00 H new ATOM 704 N LEU A 48 0.447 6.196 4.201 1.00 0.00 N ATOM 705 CA LEU A 48 -0.829 5.601 3.833 1.00 0.00 C ATOM 706 C LEU A 48 -1.675 6.616 3.074 1.00 0.00 C ATOM 707 O LEU A 48 -1.934 7.713 3.569 1.00 0.00 O ATOM 708 CB LEU A 48 -1.578 5.125 5.081 1.00 0.00 C ATOM 709 CG LEU A 48 -1.079 3.807 5.679 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.419 3.734 7.159 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.677 2.623 4.932 1.00 0.00 C ATOM 0 H LEU A 48 0.391 6.873 4.962 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.640 4.740 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.509 5.900 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.633 5.016 4.832 1.00 0.00 H new ATOM 0 HG LEU A 48 0.005 3.767 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.058 2.791 7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.944 4.563 7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.500 3.795 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.312 1.694 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.764 2.657 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.384 2.669 3.883 1.00 0.00 H new ATOM 723 N GLN A 49 -2.099 6.248 1.872 1.00 0.00 N ATOM 724 CA GLN A 49 -2.912 7.136 1.051 1.00 0.00 C ATOM 725 C GLN A 49 -4.300 6.550 0.832 1.00 0.00 C ATOM 726 O GLN A 49 -4.442 5.373 0.507 1.00 0.00 O ATOM 727 CB GLN A 49 -2.230 7.386 -0.295 1.00 0.00 C ATOM 728 CG GLN A 49 -1.030 8.314 -0.206 1.00 0.00 C ATOM 729 CD GLN A 49 -1.387 9.670 0.376 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.339 10.314 -0.061 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.617 10.110 1.365 1.00 0.00 N ATOM 0 H GLN A 49 -1.895 5.344 1.445 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.017 8.085 1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.910 6.432 -0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.957 7.811 -0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.260 7.849 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.605 8.449 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.163 9.542 1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.805 11.016 1.794 1.00 0.00 H new ATOM 740 N ALA A 50 -5.322 7.378 1.015 1.00 0.00 N ATOM 741 CA ALA A 50 -6.698 6.938 0.840 1.00 0.00 C ATOM 742 C ALA A 50 -7.549 8.037 0.216 1.00 0.00 C ATOM 743 O ALA A 50 -7.331 9.222 0.465 1.00 0.00 O ATOM 744 CB ALA A 50 -7.287 6.507 2.173 1.00 0.00 C ATOM 0 H ALA A 50 -5.222 8.357 1.284 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.697 6.084 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.317 6.180 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.700 5.685 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.268 7.347 2.868 1.00 0.00 H new ATOM 750 N THR A 51 -8.518 7.634 -0.597 1.00 0.00 N ATOM 751 CA THR A 51 -9.403 8.588 -1.255 1.00 0.00 C ATOM 752 C THR A 51 -10.432 9.141 -0.267 1.00 0.00 C ATOM 753 O THR A 51 -11.083 8.379 0.448 1.00 0.00 O ATOM 754 CB THR A 51 -10.115 7.924 -2.435 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.922 6.847 -1.993 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.163 7.384 -3.480 1.00 0.00 C ATOM 0 H THR A 51 -8.711 6.657 -0.816 1.00 0.00 H new ATOM 0 HA THR A 51 -8.798 9.416 -1.626 1.00 0.00 H new ATOM 0 HB THR A 51 -10.719 8.710 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.771 6.851 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.732 6.926 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.559 8.199 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.511 6.637 -3.027 1.00 0.00 H new ATOM 764 N PRO A 52 -10.592 10.476 -0.212 1.00 0.00 N ATOM 765 CA PRO A 52 -11.546 11.119 0.700 1.00 0.00 C ATOM 766 C PRO A 52 -12.994 10.809 0.343 1.00 0.00 C ATOM 767 O PRO A 52 -13.296 10.414 -0.784 1.00 0.00 O ATOM 768 CB PRO A 52 -11.260 12.614 0.525 1.00 0.00 C ATOM 769 CG PRO A 52 -10.639 12.728 -0.825 1.00 0.00 C ATOM 770 CD PRO A 52 -9.857 11.462 -1.026 1.00 0.00 C ATOM 0 HA PRO A 52 -11.425 10.766 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.175 13.202 0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.589 12.982 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.400 12.844 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.990 13.602 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.824 11.172 -2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.825 11.570 -0.693 1.00 0.00 H new ATOM 778 N ALA A 53 -13.888 10.992 1.310 1.00 0.00 N ATOM 779 CA ALA A 53 -15.307 10.732 1.101 1.00 0.00 C ATOM 780 C ALA A 53 -15.865 11.608 -0.016 1.00 0.00 C ATOM 781 O ALA A 53 -16.629 11.142 -0.860 1.00 0.00 O ATOM 782 CB ALA A 53 -16.081 10.961 2.390 1.00 0.00 C ATOM 0 H ALA A 53 -13.654 11.320 2.247 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.421 9.690 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.139 10.763 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.707 10.290 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.953 11.994 2.713 1.00 0.00 H new ATOM 788 N SER A 54 -15.477 12.879 -0.016 1.00 0.00 N ATOM 789 CA SER A 54 -15.938 13.819 -1.032 1.00 0.00 C ATOM 790 C SER A 54 -15.513 13.363 -2.423 1.00 0.00 C ATOM 791 O SER A 54 -16.159 13.686 -3.420 1.00 0.00 O ATOM 792 CB SER A 54 -15.393 15.220 -0.750 1.00 0.00 C ATOM 793 OG SER A 54 -13.987 15.264 -0.925 1.00 0.00 O ATOM 0 H SER A 54 -14.845 13.282 0.676 1.00 0.00 H new ATOM 0 HA SER A 54 -17.027 13.850 -0.996 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.868 15.940 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.645 15.514 0.269 1.00 0.00 H new ATOM 0 HG SER A 54 -13.663 16.170 -0.741 1.00 0.00 H new ATOM 799 N SER A 55 -14.425 12.607 -2.479 1.00 0.00 N ATOM 800 CA SER A 55 -13.906 12.100 -3.736 1.00 0.00 C ATOM 801 C SER A 55 -14.726 10.916 -4.222 1.00 0.00 C ATOM 802 O SER A 55 -14.819 9.891 -3.547 1.00 0.00 O ATOM 803 CB SER A 55 -12.441 11.689 -3.579 1.00 0.00 C ATOM 804 OG SER A 55 -11.576 12.786 -3.811 1.00 0.00 O ATOM 0 H SER A 55 -13.883 12.331 -1.660 1.00 0.00 H new ATOM 0 HA SER A 55 -13.975 12.897 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.276 11.297 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.209 10.885 -4.277 1.00 0.00 H new ATOM 0 HG SER A 55 -10.646 12.498 -3.703 1.00 0.00 H new ATOM 810 N GLU A 56 -15.309 11.058 -5.406 1.00 0.00 N ATOM 811 CA GLU A 56 -16.108 9.992 -5.992 1.00 0.00 C ATOM 812 C GLU A 56 -15.282 8.716 -6.118 1.00 0.00 C ATOM 813 O GLU A 56 -15.826 7.622 -6.267 1.00 0.00 O ATOM 814 CB GLU A 56 -16.628 10.412 -7.367 1.00 0.00 C ATOM 815 CG GLU A 56 -17.565 11.608 -7.325 1.00 0.00 C ATOM 816 CD GLU A 56 -18.116 11.969 -8.690 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.593 11.448 -9.700 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.070 12.771 -8.753 1.00 0.00 O ATOM 0 H GLU A 56 -15.243 11.900 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.957 9.799 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.780 10.648 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.148 9.569 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.393 11.392 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.033 12.466 -6.914 1.00 0.00 H new ATOM 825 N LYS A 57 -13.961 8.867 -6.052 1.00 0.00 N ATOM 826 CA LYS A 57 -13.055 7.729 -6.155 1.00 0.00 C ATOM 827 C LYS A 57 -13.194 6.810 -4.946 1.00 0.00 C ATOM 828 O LYS A 57 -13.625 7.234 -3.875 1.00 0.00 O ATOM 829 CB LYS A 57 -11.609 8.209 -6.282 1.00 0.00 C ATOM 830 CG LYS A 57 -11.329 8.967 -7.569 1.00 0.00 C ATOM 831 CD LYS A 57 -11.474 8.067 -8.786 1.00 0.00 C ATOM 832 CE LYS A 57 -10.858 8.700 -10.024 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.659 9.858 -10.513 1.00 0.00 N ATOM 0 H LYS A 57 -13.496 9.766 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.322 7.166 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.373 8.851 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.943 7.348 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.016 9.809 -7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.321 9.380 -7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.995 7.108 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.530 7.865 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.844 9.030 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.781 7.953 -10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.206 10.261 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.619 9.539 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.712 10.583 -9.769 1.00 0.00 H new ATOM 847 N MET A 58 -12.828 5.545 -5.129 1.00 0.00 N ATOM 848 CA MET A 58 -12.909 4.558 -4.060 1.00 0.00 C ATOM 849 C MET A 58 -11.730 3.593 -4.126 1.00 0.00 C ATOM 850 O MET A 58 -11.853 2.484 -4.645 1.00 0.00 O ATOM 851 CB MET A 58 -14.222 3.782 -4.158 1.00 0.00 C ATOM 852 CG MET A 58 -15.443 4.608 -3.785 1.00 0.00 C ATOM 853 SD MET A 58 -16.903 3.592 -3.491 1.00 0.00 S ATOM 854 CE MET A 58 -16.276 2.456 -2.257 1.00 0.00 C ATOM 0 H MET A 58 -12.471 5.179 -6.012 1.00 0.00 H new ATOM 0 HA MET A 58 -12.874 5.084 -3.106 1.00 0.00 H new ATOM 0 HB2 MET A 58 -14.341 3.411 -5.176 1.00 0.00 H new ATOM 0 HB3 MET A 58 -14.169 2.910 -3.506 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.224 5.190 -2.890 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.654 5.319 -4.584 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.028 2.310 -1.482 1.00 0.00 H new ATOM 0 HE2 MET A 58 -16.047 1.499 -2.726 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.370 2.867 -1.811 1.00 0.00 H new ATOM 864 N MET A 59 -10.584 4.024 -3.607 1.00 0.00 N ATOM 865 CA MET A 59 -9.386 3.194 -3.619 1.00 0.00 C ATOM 866 C MET A 59 -8.349 3.695 -2.615 1.00 0.00 C ATOM 867 O MET A 59 -8.264 4.892 -2.339 1.00 0.00 O ATOM 868 CB MET A 59 -8.786 3.169 -5.027 1.00 0.00 C ATOM 869 CG MET A 59 -7.497 2.370 -5.132 1.00 0.00 C ATOM 870 SD MET A 59 -6.030 3.382 -4.851 1.00 0.00 S ATOM 871 CE MET A 59 -6.282 4.679 -6.059 1.00 0.00 C ATOM 0 H MET A 59 -10.461 4.940 -3.175 1.00 0.00 H new ATOM 0 HA MET A 59 -9.671 2.183 -3.327 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.519 2.750 -5.717 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.595 4.193 -5.348 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.518 1.557 -4.406 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.436 1.914 -6.120 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.325 4.954 -6.502 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.955 4.324 -6.839 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.720 5.550 -5.572 1.00 0.00 H new ATOM 881 N LEU A 60 -7.563 2.767 -2.078 1.00 0.00 N ATOM 882 CA LEU A 60 -6.524 3.098 -1.108 1.00 0.00 C ATOM 883 C LEU A 60 -5.142 2.765 -1.670 1.00 0.00 C ATOM 884 O LEU A 60 -5.008 1.886 -2.521 1.00 0.00 O ATOM 885 CB LEU A 60 -6.759 2.334 0.199 1.00 0.00 C ATOM 886 CG LEU A 60 -6.601 3.162 1.476 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.960 3.590 2.006 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.839 2.374 2.532 1.00 0.00 C ATOM 0 H LEU A 60 -7.627 1.773 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.568 4.168 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.765 1.914 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.064 1.495 0.241 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.029 4.058 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.828 4.178 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.470 4.193 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.558 2.707 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.736 2.978 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.384 1.460 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.850 2.118 2.152 1.00 0.00 H new ATOM 900 N ARG A 61 -4.121 3.475 -1.200 1.00 0.00 N ATOM 901 CA ARG A 61 -2.757 3.247 -1.675 1.00 0.00 C ATOM 902 C ARG A 61 -1.743 3.271 -0.530 1.00 0.00 C ATOM 903 O ARG A 61 -1.782 4.149 0.334 1.00 0.00 O ATOM 904 CB ARG A 61 -2.386 4.302 -2.719 1.00 0.00 C ATOM 905 CG ARG A 61 -1.143 3.955 -3.522 1.00 0.00 C ATOM 906 CD ARG A 61 -0.671 5.135 -4.357 1.00 0.00 C ATOM 907 NE ARG A 61 0.350 4.748 -5.326 1.00 0.00 N ATOM 908 CZ ARG A 61 0.995 5.610 -6.109 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.728 6.910 -6.038 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.909 5.174 -6.964 1.00 0.00 N ATOM 0 H ARG A 61 -4.209 4.208 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.725 2.255 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.224 4.435 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.229 5.257 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.346 3.645 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.355 3.108 -4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.521 5.571 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.272 5.907 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 61 0.583 3.758 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.026 7.251 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.225 7.566 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.119 4.177 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.403 5.835 -7.564 1.00 0.00 H new ATOM 924 N LEU A 62 -0.828 2.303 -0.543 1.00 0.00 N ATOM 925 CA LEU A 62 0.216 2.196 0.477 1.00 0.00 C ATOM 926 C LEU A 62 1.549 2.684 -0.075 1.00 0.00 C ATOM 927 O LEU A 62 1.857 2.481 -1.250 1.00 0.00 O ATOM 928 CB LEU A 62 0.360 0.744 0.944 1.00 0.00 C ATOM 929 CG LEU A 62 -0.799 0.173 1.774 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.112 0.878 1.459 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.929 -1.323 1.528 1.00 0.00 C ATOM 0 H LEU A 62 -0.788 1.575 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.071 2.818 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.492 0.114 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.273 0.664 1.533 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.576 0.345 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.910 0.448 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.018 1.940 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.349 0.751 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.753 -1.719 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.124 -1.502 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.003 -1.821 1.816 1.00 0.00 H new ATOM 943 N ILE A 63 2.338 3.326 0.776 1.00 0.00 N ATOM 944 CA ILE A 63 3.637 3.841 0.369 1.00 0.00 C ATOM 945 C ILE A 63 4.763 3.153 1.133 1.00 0.00 C ATOM 946 O ILE A 63 4.794 3.183 2.360 1.00 0.00 O ATOM 947 CB ILE A 63 3.742 5.359 0.598 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.465 6.066 0.116 1.00 0.00 C ATOM 949 CG2 ILE A 63 4.981 5.908 -0.099 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.573 6.665 -1.271 1.00 0.00 C ATOM 0 H ILE A 63 2.101 3.502 1.752 1.00 0.00 H new ATOM 0 HA ILE A 63 3.735 3.633 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 63 3.842 5.552 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.641 5.352 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.212 6.857 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.047 6.983 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.870 5.423 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.914 5.711 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.630 7.144 -1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.373 7.405 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.793 5.877 -1.991 1.00 0.00 H new ATOM 962 N GLY A 64 5.685 2.540 0.401 1.00 0.00 N ATOM 963 CA GLY A 64 6.800 1.860 1.030 1.00 0.00 C ATOM 964 C GLY A 64 8.023 2.747 1.153 1.00 0.00 C ATOM 965 O GLY A 64 8.219 3.658 0.348 1.00 0.00 O ATOM 0 H GLY A 64 5.680 2.502 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.501 1.518 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.055 0.973 0.450 1.00 0.00 H new ATOM 969 N LYS A 65 8.850 2.483 2.161 1.00 0.00 N ATOM 970 CA LYS A 65 10.059 3.268 2.381 1.00 0.00 C ATOM 971 C LYS A 65 11.096 2.989 1.299 1.00 0.00 C ATOM 972 O LYS A 65 11.322 1.839 0.923 1.00 0.00 O ATOM 973 CB LYS A 65 10.653 2.966 3.756 1.00 0.00 C ATOM 974 CG LYS A 65 9.959 3.696 4.893 1.00 0.00 C ATOM 975 CD LYS A 65 10.639 3.429 6.226 1.00 0.00 C ATOM 976 CE LYS A 65 9.931 4.145 7.365 1.00 0.00 C ATOM 977 NZ LYS A 65 10.851 4.428 8.500 1.00 0.00 N ATOM 0 H LYS A 65 8.705 1.733 2.837 1.00 0.00 H new ATOM 0 HA LYS A 65 9.784 4.322 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.599 1.893 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.709 3.236 3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.959 4.767 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.917 3.381 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.652 2.357 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.677 3.757 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.508 5.080 6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.099 3.535 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.330 4.917 9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.235 3.534 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.632 5.032 8.172 1.00 0.00 H new ATOM 991 N VAL A 66 11.722 4.050 0.804 1.00 0.00 N ATOM 992 CA VAL A 66 12.735 3.924 -0.236 1.00 0.00 C ATOM 993 C VAL A 66 14.002 3.278 0.302 1.00 0.00 C ATOM 994 O VAL A 66 14.245 3.254 1.509 1.00 0.00 O ATOM 995 CB VAL A 66 13.072 5.297 -0.866 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.183 6.373 0.203 1.00 0.00 C ATOM 997 CG2 VAL A 66 14.345 5.243 -1.703 1.00 0.00 C ATOM 0 H VAL A 66 11.546 5.008 1.107 1.00 0.00 H new ATOM 0 HA VAL A 66 12.318 3.281 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 66 12.250 5.553 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.420 7.328 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.236 6.456 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.973 6.107 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.544 6.228 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.182 4.943 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.220 4.520 -2.509 1.00 0.00 H new ATOM 1007 N ASP A 67 14.803 2.761 -0.614 1.00 0.00 N ATOM 1008 CA ASP A 67 16.058 2.108 -0.261 1.00 0.00 C ATOM 1009 C ASP A 67 17.250 2.912 -0.774 1.00 0.00 C ATOM 1010 O ASP A 67 17.293 3.304 -1.939 1.00 0.00 O ATOM 1011 CB ASP A 67 16.099 0.687 -0.829 1.00 0.00 C ATOM 1012 CG ASP A 67 16.025 -0.370 0.256 1.00 0.00 C ATOM 1013 OD1 ASP A 67 16.618 -0.157 1.334 1.00 0.00 O ATOM 1014 OD2 ASP A 67 15.375 -1.411 0.026 1.00 0.00 O ATOM 0 H ASP A 67 14.607 2.780 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 67 16.119 2.055 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.269 0.551 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.017 0.553 -1.401 1.00 0.00 H new ATOM 1019 N GLU A 68 18.213 3.154 0.107 1.00 0.00 N ATOM 1020 CA GLU A 68 19.408 3.915 -0.248 1.00 0.00 C ATOM 1021 C GLU A 68 20.559 2.993 -0.650 1.00 0.00 C ATOM 1022 O GLU A 68 21.670 3.454 -0.914 1.00 0.00 O ATOM 1023 CB GLU A 68 19.840 4.784 0.929 1.00 0.00 C ATOM 1024 CG GLU A 68 18.810 5.829 1.325 1.00 0.00 C ATOM 1025 CD GLU A 68 19.292 6.728 2.447 1.00 0.00 C ATOM 1026 OE1 GLU A 68 20.327 6.402 3.068 1.00 0.00 O ATOM 1027 OE2 GLU A 68 18.634 7.758 2.706 1.00 0.00 O ATOM 0 H GLU A 68 18.191 2.834 1.075 1.00 0.00 H new ATOM 0 HA GLU A 68 19.160 4.545 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.044 4.143 1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.775 5.285 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.564 6.439 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.892 5.330 1.634 1.00 0.00 H new ATOM 1034 N SER A 69 20.293 1.692 -0.691 1.00 0.00 N ATOM 1035 CA SER A 69 21.311 0.714 -1.056 1.00 0.00 C ATOM 1036 C SER A 69 21.633 0.778 -2.546 1.00 0.00 C ATOM 1037 O SER A 69 22.591 0.157 -3.008 1.00 0.00 O ATOM 1038 CB SER A 69 20.847 -0.695 -0.684 1.00 0.00 C ATOM 1039 OG SER A 69 21.878 -1.644 -0.900 1.00 0.00 O ATOM 0 H SER A 69 19.380 1.290 -0.476 1.00 0.00 H new ATOM 0 HA SER A 69 22.218 0.953 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.542 -0.717 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.972 -0.962 -1.277 1.00 0.00 H new ATOM 0 HG SER A 69 22.507 -1.298 -1.567 1.00 0.00 H new ATOM 1045 N LYS A 70 20.831 1.526 -3.300 1.00 0.00 N ATOM 1046 CA LYS A 70 21.040 1.656 -4.735 1.00 0.00 C ATOM 1047 C LYS A 70 21.884 2.885 -5.060 1.00 0.00 C ATOM 1048 O LYS A 70 23.030 2.765 -5.495 1.00 0.00 O ATOM 1049 CB LYS A 70 19.698 1.731 -5.460 1.00 0.00 C ATOM 1050 CG LYS A 70 18.741 0.625 -5.057 1.00 0.00 C ATOM 1051 CD LYS A 70 17.998 0.978 -3.783 1.00 0.00 C ATOM 1052 CE LYS A 70 16.552 0.510 -3.832 1.00 0.00 C ATOM 1053 NZ LYS A 70 15.599 1.620 -3.560 1.00 0.00 N ATOM 0 H LYS A 70 20.033 2.049 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 70 21.581 0.774 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.235 2.696 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.869 1.681 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.026 0.449 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.294 -0.303 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.500 0.522 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.027 2.057 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.342 0.083 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.403 -0.284 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.735 1.237 -3.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.039 2.304 -2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.356 2.095 -4.453 1.00 0.00 H new ATOM 1067 N LYS A 71 21.310 4.065 -4.850 1.00 0.00 N ATOM 1068 CA LYS A 71 22.010 5.314 -5.124 1.00 0.00 C ATOM 1069 C LYS A 71 22.350 5.430 -6.606 1.00 0.00 C ATOM 1070 O LYS A 71 23.380 4.929 -7.058 1.00 0.00 O ATOM 1071 CB LYS A 71 23.286 5.406 -4.286 1.00 0.00 C ATOM 1072 CG LYS A 71 23.087 6.119 -2.958 1.00 0.00 C ATOM 1073 CD LYS A 71 23.125 7.629 -3.125 1.00 0.00 C ATOM 1074 CE LYS A 71 23.088 8.339 -1.783 1.00 0.00 C ATOM 1075 NZ LYS A 71 22.825 9.798 -1.933 1.00 0.00 N ATOM 0 H LYS A 71 20.362 4.182 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 71 21.350 6.138 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.661 4.400 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.051 5.929 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.131 5.824 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.863 5.810 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.029 7.914 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.278 7.950 -3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.314 7.893 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.038 8.192 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.808 10.246 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.577 10.229 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.907 9.939 -2.401 1.00 0.00 H new ATOM 1089 N ARG A 72 21.477 6.093 -7.356 1.00 0.00 N ATOM 1090 CA ARG A 72 21.681 6.276 -8.787 1.00 0.00 C ATOM 1091 C ARG A 72 22.043 7.723 -9.108 1.00 0.00 C ATOM 1092 O ARG A 72 21.673 8.641 -8.376 1.00 0.00 O ATOM 1093 CB ARG A 72 20.426 5.868 -9.560 1.00 0.00 C ATOM 1094 CG ARG A 72 20.074 4.396 -9.413 1.00 0.00 C ATOM 1095 CD ARG A 72 19.678 3.781 -10.745 1.00 0.00 C ATOM 1096 NE ARG A 72 19.157 2.426 -10.589 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.924 1.351 -10.413 1.00 0.00 C ATOM 1098 NH1 ARG A 72 21.245 1.471 -10.371 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.368 0.156 -10.278 1.00 0.00 N ATOM 0 H ARG A 72 20.620 6.513 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 72 22.511 5.638 -9.092 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.585 6.470 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.570 6.095 -10.616 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.927 3.856 -9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.255 4.286 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.924 4.406 -11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.544 3.763 -11.407 1.00 0.00 H new ATOM 0 HE ARG A 72 18.146 2.295 -10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.677 2.389 -10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.828 0.645 -10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.353 0.059 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.955 -0.667 -10.143 1.00 0.00 H new ATOM 1113 N LYS A 73 22.767 7.916 -10.205 1.00 0.00 N ATOM 1114 CA LYS A 73 23.180 9.252 -10.622 1.00 0.00 C ATOM 1115 C LYS A 73 22.181 9.850 -11.606 1.00 0.00 C ATOM 1116 O LYS A 73 21.560 9.132 -12.392 1.00 0.00 O ATOM 1117 CB LYS A 73 24.571 9.204 -11.254 1.00 0.00 C ATOM 1118 CG LYS A 73 25.670 8.826 -10.273 1.00 0.00 C ATOM 1119 CD LYS A 73 26.160 10.035 -9.494 1.00 0.00 C ATOM 1120 CE LYS A 73 27.423 9.717 -8.709 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.562 9.373 -9.605 1.00 0.00 N ATOM 0 H LYS A 73 23.080 7.166 -10.821 1.00 0.00 H new ATOM 0 HA LYS A 73 23.212 9.887 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 73 24.564 8.486 -12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.799 10.179 -11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.297 8.072 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.504 8.378 -10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.355 10.858 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.380 10.369 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.692 10.574 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.230 8.885 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.457 9.478 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.463 8.390 -9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.562 10.011 -10.426 1.00 0.00 H new ATOM 1135 N ASP A 74 22.030 11.169 -11.558 1.00 0.00 N ATOM 1136 CA ASP A 74 21.108 11.869 -12.442 1.00 0.00 C ATOM 1137 C ASP A 74 21.804 12.296 -13.731 1.00 0.00 C ATOM 1138 O ASP A 74 23.007 12.095 -13.895 1.00 0.00 O ATOM 1139 CB ASP A 74 20.523 13.094 -11.735 1.00 0.00 C ATOM 1140 CG ASP A 74 19.110 13.405 -12.190 1.00 0.00 C ATOM 1141 OD1 ASP A 74 18.458 12.505 -12.760 1.00 0.00 O ATOM 1142 OD2 ASP A 74 18.657 14.549 -11.979 1.00 0.00 O ATOM 0 H ASP A 74 22.537 11.776 -10.914 1.00 0.00 H new ATOM 0 HA ASP A 74 20.300 11.184 -12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.526 12.924 -10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.161 13.958 -11.923 1.00 0.00 H new ATOM 1147 N ASN A 75 21.038 12.885 -14.642 1.00 0.00 N ATOM 1148 CA ASN A 75 21.577 13.341 -15.920 1.00 0.00 C ATOM 1149 C ASN A 75 22.613 14.445 -15.722 1.00 0.00 C ATOM 1150 O ASN A 75 23.414 14.719 -16.616 1.00 0.00 O ATOM 1151 CB ASN A 75 20.448 13.845 -16.819 1.00 0.00 C ATOM 1152 CG ASN A 75 19.383 12.795 -17.057 1.00 0.00 C ATOM 1153 OD1 ASN A 75 19.677 11.601 -17.125 1.00 0.00 O ATOM 1154 ND2 ASN A 75 18.136 13.234 -17.185 1.00 0.00 N ATOM 0 H ASN A 75 20.040 13.059 -14.520 1.00 0.00 H new ATOM 0 HA ASN A 75 22.068 12.493 -16.397 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.991 14.724 -16.365 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.863 14.160 -17.776 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.377 12.573 -17.347 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.938 14.233 -17.122 1.00 0.00 H new ATOM 1161 N GLU A 76 22.593 15.076 -14.554 1.00 0.00 N ATOM 1162 CA GLU A 76 23.531 16.150 -14.252 1.00 0.00 C ATOM 1163 C GLU A 76 24.821 15.606 -13.640 1.00 0.00 C ATOM 1164 O GLU A 76 25.773 16.354 -13.414 1.00 0.00 O ATOM 1165 CB GLU A 76 22.890 17.162 -13.301 1.00 0.00 C ATOM 1166 CG GLU A 76 23.461 18.564 -13.430 1.00 0.00 C ATOM 1167 CD GLU A 76 22.896 19.525 -12.401 1.00 0.00 C ATOM 1168 OE1 GLU A 76 22.039 19.100 -11.598 1.00 0.00 O ATOM 1169 OE2 GLU A 76 23.308 20.704 -12.401 1.00 0.00 O ATOM 0 H GLU A 76 21.938 14.863 -13.801 1.00 0.00 H new ATOM 0 HA GLU A 76 23.782 16.646 -15.190 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.817 17.197 -13.490 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.022 16.818 -12.275 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.545 18.521 -13.324 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.253 18.946 -14.430 1.00 0.00 H new ATOM 1176 N GLY A 77 24.848 14.304 -13.368 1.00 0.00 N ATOM 1177 CA GLY A 77 26.027 13.694 -12.785 1.00 0.00 C ATOM 1178 C GLY A 77 25.982 13.664 -11.267 1.00 0.00 C ATOM 1179 O GLY A 77 26.977 13.341 -10.620 1.00 0.00 O ATOM 0 H GLY A 77 24.074 13.662 -13.541 1.00 0.00 H new ATOM 0 HA2 GLY A 77 26.128 12.676 -13.162 1.00 0.00 H new ATOM 0 HA3 GLY A 77 26.912 14.243 -13.107 1.00 0.00 H new ATOM 1183 N ASN A 78 24.827 14.002 -10.698 1.00 0.00 N ATOM 1184 CA ASN A 78 24.668 14.007 -9.247 1.00 0.00 C ATOM 1185 C ASN A 78 23.836 12.818 -8.786 1.00 0.00 C ATOM 1186 O ASN A 78 22.907 12.393 -9.472 1.00 0.00 O ATOM 1187 CB ASN A 78 24.014 15.310 -8.787 1.00 0.00 C ATOM 1188 CG ASN A 78 24.865 16.526 -9.093 1.00 0.00 C ATOM 1189 OD1 ASN A 78 25.952 16.693 -8.539 1.00 0.00 O ATOM 1190 ND2 ASN A 78 24.374 17.384 -9.981 1.00 0.00 N ATOM 0 H ASN A 78 23.992 14.274 -11.217 1.00 0.00 H new ATOM 0 HA ASN A 78 25.659 13.929 -8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.044 15.417 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 78 23.829 15.261 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 78 24.902 18.221 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 78 23.469 17.206 -10.416 1.00 0.00 H new ATOM 1197 N GLU A 79 24.174 12.285 -7.617 1.00 0.00 N ATOM 1198 CA GLU A 79 23.457 11.143 -7.063 1.00 0.00 C ATOM 1199 C GLU A 79 22.075 11.555 -6.571 1.00 0.00 C ATOM 1200 O GLU A 79 21.892 12.656 -6.050 1.00 0.00 O ATOM 1201 CB GLU A 79 24.255 10.524 -5.914 1.00 0.00 C ATOM 1202 CG GLU A 79 25.621 10.002 -6.332 1.00 0.00 C ATOM 1203 CD GLU A 79 26.373 9.347 -5.189 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.942 9.506 -4.027 1.00 0.00 O ATOM 1205 OE2 GLU A 79 27.391 8.677 -5.456 1.00 0.00 O ATOM 0 H GLU A 79 24.940 12.625 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 79 23.336 10.403 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.385 11.270 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.679 9.705 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.498 9.281 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 79 26.215 10.826 -6.727 1.00 0.00 H new ATOM 1212 N VAL A 80 21.101 10.665 -6.739 1.00 0.00 N ATOM 1213 CA VAL A 80 19.735 10.938 -6.309 1.00 0.00 C ATOM 1214 C VAL A 80 19.162 9.767 -5.519 1.00 0.00 C ATOM 1215 O VAL A 80 19.629 8.636 -5.644 1.00 0.00 O ATOM 1216 CB VAL A 80 18.802 11.241 -7.507 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.505 12.126 -8.525 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.308 9.952 -8.163 1.00 0.00 C ATOM 0 H VAL A 80 21.233 9.750 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 80 19.783 11.820 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 80 17.933 11.777 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.832 12.327 -9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.790 13.067 -8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.397 11.619 -8.893 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.655 10.197 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.161 9.377 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.755 9.361 -7.433 1.00 0.00 H new ATOM 1228 N VAL A 81 18.139 10.046 -4.725 1.00 0.00 N ATOM 1229 CA VAL A 81 17.483 9.015 -3.937 1.00 0.00 C ATOM 1230 C VAL A 81 16.181 8.602 -4.614 1.00 0.00 C ATOM 1231 O VAL A 81 15.166 9.285 -4.486 1.00 0.00 O ATOM 1232 CB VAL A 81 17.181 9.500 -2.506 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.631 8.360 -1.661 1.00 0.00 C ATOM 1234 CG2 VAL A 81 18.427 10.093 -1.867 1.00 0.00 C ATOM 0 H VAL A 81 17.745 10.980 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 81 18.160 8.163 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 81 16.423 10.281 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.424 8.721 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.710 7.986 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.365 7.555 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 81 18.193 10.430 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 81 19.210 9.336 -1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.773 10.939 -2.461 1.00 0.00 H new ATOM 1244 N PRO A 82 16.194 7.482 -5.363 1.00 0.00 N ATOM 1245 CA PRO A 82 15.013 6.997 -6.075 1.00 0.00 C ATOM 1246 C PRO A 82 13.738 7.104 -5.244 1.00 0.00 C ATOM 1247 O PRO A 82 13.789 7.180 -4.016 1.00 0.00 O ATOM 1248 CB PRO A 82 15.354 5.535 -6.348 1.00 0.00 C ATOM 1249 CG PRO A 82 16.837 5.516 -6.483 1.00 0.00 C ATOM 1250 CD PRO A 82 17.365 6.611 -5.589 1.00 0.00 C ATOM 0 HA PRO A 82 14.807 7.582 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.021 4.891 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.868 5.177 -7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.241 4.547 -6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.134 5.684 -7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.751 6.210 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.182 7.155 -6.064 1.00 0.00 H new ATOM 1258 N LYS A 83 12.597 7.114 -5.921 1.00 0.00 N ATOM 1259 CA LYS A 83 11.308 7.215 -5.245 1.00 0.00 C ATOM 1260 C LYS A 83 10.992 5.939 -4.476 1.00 0.00 C ATOM 1261 O LYS A 83 11.427 4.848 -4.847 1.00 0.00 O ATOM 1262 CB LYS A 83 10.196 7.509 -6.254 1.00 0.00 C ATOM 1263 CG LYS A 83 10.165 8.955 -6.721 1.00 0.00 C ATOM 1264 CD LYS A 83 10.852 9.123 -8.066 1.00 0.00 C ATOM 1265 CE LYS A 83 11.692 10.390 -8.111 1.00 0.00 C ATOM 1266 NZ LYS A 83 12.978 10.178 -8.830 1.00 0.00 N ATOM 0 H LYS A 83 12.537 7.053 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 83 11.366 8.039 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.321 6.859 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.234 7.260 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.131 9.292 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.654 9.588 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.486 8.258 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.102 9.154 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.128 11.182 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.896 10.727 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.521 11.065 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.528 9.440 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.784 9.881 -9.808 1.00 0.00 H new ATOM 1280 N PRO A 84 10.240 6.072 -3.374 1.00 0.00 N ATOM 1281 CA PRO A 84 9.863 4.948 -2.512 1.00 0.00 C ATOM 1282 C PRO A 84 8.820 4.041 -3.154 1.00 0.00 C ATOM 1283 O PRO A 84 8.168 4.418 -4.128 1.00 0.00 O ATOM 1284 CB PRO A 84 9.291 5.633 -1.265 1.00 0.00 C ATOM 1285 CG PRO A 84 9.712 7.055 -1.393 1.00 0.00 C ATOM 1286 CD PRO A 84 9.706 7.330 -2.854 1.00 0.00 C ATOM 0 HA PRO A 84 10.710 4.294 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.205 5.543 -1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.682 5.184 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.027 7.718 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.702 7.213 -0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.705 7.541 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.331 8.184 -3.116 1.00 0.00 H new ATOM 1294 N GLN A 85 8.663 2.840 -2.599 1.00 0.00 N ATOM 1295 CA GLN A 85 7.696 1.881 -3.119 1.00 0.00 C ATOM 1296 C GLN A 85 6.272 2.398 -2.936 1.00 0.00 C ATOM 1297 O GLN A 85 6.012 3.240 -2.079 1.00 0.00 O ATOM 1298 CB GLN A 85 7.852 0.531 -2.416 1.00 0.00 C ATOM 1299 CG GLN A 85 9.022 -0.293 -2.929 1.00 0.00 C ATOM 1300 CD GLN A 85 8.999 -0.466 -4.435 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.979 -0.844 -5.012 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.126 -0.190 -5.080 1.00 0.00 N ATOM 0 H GLN A 85 9.192 2.511 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 85 7.887 1.751 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.979 0.701 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.933 -0.042 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.956 0.188 -2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.006 -1.274 -2.454 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.948 0.120 -4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.170 -0.288 -6.094 1.00 0.00 H new ATOM 1311 N ARG A 86 5.353 1.884 -3.747 1.00 0.00 N ATOM 1312 CA ARG A 86 3.955 2.293 -3.672 1.00 0.00 C ATOM 1313 C ARG A 86 3.033 1.153 -4.098 1.00 0.00 C ATOM 1314 O ARG A 86 3.109 0.673 -5.229 1.00 0.00 O ATOM 1315 CB ARG A 86 3.716 3.516 -4.560 1.00 0.00 C ATOM 1316 CG ARG A 86 4.515 4.739 -4.140 1.00 0.00 C ATOM 1317 CD ARG A 86 4.191 5.942 -5.010 1.00 0.00 C ATOM 1318 NE ARG A 86 4.539 5.715 -6.410 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.719 6.693 -7.296 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.580 7.962 -6.935 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.038 6.400 -8.549 1.00 0.00 N ATOM 0 H ARG A 86 5.551 1.185 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 86 3.730 2.552 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.970 3.262 -5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.655 3.763 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.301 4.974 -3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.581 4.518 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.128 6.169 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.731 6.813 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 86 4.651 4.752 -6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.334 8.194 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.720 8.705 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.145 5.426 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.176 7.148 -9.228 1.00 0.00 H new ATOM 1335 N HIS A 87 2.160 0.727 -3.189 1.00 0.00 N ATOM 1336 CA HIS A 87 1.222 -0.353 -3.481 1.00 0.00 C ATOM 1337 C HIS A 87 -0.183 0.203 -3.691 1.00 0.00 C ATOM 1338 O HIS A 87 -0.488 1.313 -3.256 1.00 0.00 O ATOM 1339 CB HIS A 87 1.214 -1.380 -2.347 1.00 0.00 C ATOM 1340 CG HIS A 87 2.582 -1.789 -1.898 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.253 -2.875 -2.421 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.408 -1.252 -0.969 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.429 -2.989 -1.831 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.548 -2.016 -0.948 1.00 0.00 N ATOM 0 H HIS A 87 2.083 1.111 -2.247 1.00 0.00 H new ATOM 0 HA HIS A 87 1.546 -0.847 -4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.671 -0.966 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.668 -2.265 -2.674 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.207 -0.384 -0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.168 -3.750 -2.036 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.357 -1.857 -0.347 1.00 0.00 H new ATOM 1353 N MET A 88 -1.032 -0.564 -4.368 1.00 0.00 N ATOM 1354 CA MET A 88 -2.398 -0.126 -4.636 1.00 0.00 C ATOM 1355 C MET A 88 -3.421 -1.159 -4.177 1.00 0.00 C ATOM 1356 O MET A 88 -3.195 -2.366 -4.270 1.00 0.00 O ATOM 1357 CB MET A 88 -2.577 0.154 -6.129 1.00 0.00 C ATOM 1358 CG MET A 88 -3.828 0.955 -6.451 1.00 0.00 C ATOM 1359 SD MET A 88 -5.300 -0.079 -6.576 1.00 0.00 S ATOM 1360 CE MET A 88 -6.012 0.531 -8.102 1.00 0.00 C ATOM 0 H MET A 88 -0.801 -1.486 -4.739 1.00 0.00 H new ATOM 0 HA MET A 88 -2.569 0.790 -4.070 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.705 0.695 -6.496 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.614 -0.794 -6.666 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.982 1.708 -5.678 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.682 1.488 -7.391 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.984 0.065 -8.262 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.134 1.612 -8.040 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.352 0.288 -8.934 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.557 -0.667 -3.689 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.638 -1.525 -3.221 1.00 0.00 C ATOM 1372 C PHE A 89 -6.960 -0.766 -3.250 1.00 0.00 C ATOM 1373 O PHE A 89 -7.075 0.312 -2.668 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.353 -2.018 -1.800 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.125 -2.876 -1.691 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.207 -4.251 -1.845 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -2.888 -2.308 -1.432 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.080 -5.043 -1.741 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.756 -3.095 -1.326 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.853 -4.464 -1.481 1.00 0.00 C ATOM 0 H PHE A 89 -4.752 0.331 -3.608 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.707 -2.387 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.242 -1.156 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.213 -2.584 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.164 -4.709 -2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.807 -1.238 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.158 -6.113 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.798 -2.640 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.971 -5.081 -1.399 1.00 0.00 H new ATOM 1390 N SER A 90 -7.955 -1.326 -3.932 1.00 0.00 N ATOM 1391 CA SER A 90 -9.262 -0.683 -4.038 1.00 0.00 C ATOM 1392 C SER A 90 -10.317 -1.432 -3.232 1.00 0.00 C ATOM 1393 O SER A 90 -10.346 -2.661 -3.218 1.00 0.00 O ATOM 1394 CB SER A 90 -9.691 -0.594 -5.502 1.00 0.00 C ATOM 1395 OG SER A 90 -10.885 0.159 -5.639 1.00 0.00 O ATOM 0 H SER A 90 -7.882 -2.220 -4.418 1.00 0.00 H new ATOM 0 HA SER A 90 -9.172 0.323 -3.627 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.897 -0.133 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.842 -1.597 -5.902 1.00 0.00 H new ATOM 0 HG SER A 90 -10.834 0.958 -5.074 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.188 -0.681 -2.568 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.252 -1.271 -1.764 1.00 0.00 C ATOM 1403 C PHE A 91 -13.608 -0.701 -2.170 1.00 0.00 C ATOM 1404 O PHE A 91 -13.711 0.464 -2.553 1.00 0.00 O ATOM 1405 CB PHE A 91 -12.009 -1.010 -0.275 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.583 -1.221 0.159 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.568 -0.408 -0.323 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.259 -2.229 1.055 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.261 -0.597 0.079 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.951 -2.422 1.459 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.950 -1.604 0.970 1.00 0.00 C ATOM 0 H PHE A 91 -11.178 0.339 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.252 -2.347 -1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.300 0.015 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.656 -1.665 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.803 0.382 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.037 -2.870 1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.481 0.044 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.712 -3.211 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.927 -1.752 1.284 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.645 -1.527 -2.086 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.990 -1.094 -2.447 1.00 0.00 C ATOM 1423 C ASN A 92 -16.702 -0.448 -1.261 1.00 0.00 C ATOM 1424 O ASN A 92 -17.690 0.267 -1.434 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.812 -2.274 -2.963 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.081 -3.068 -4.028 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.080 -4.299 -4.010 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.453 -2.364 -4.963 1.00 0.00 N ATOM 0 H ASN A 92 -14.581 -2.496 -1.773 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.895 -0.350 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -17.060 -2.932 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.754 -1.906 -3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.943 -2.843 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.481 -1.345 -4.939 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.197 -0.700 -0.058 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.788 -0.138 1.150 1.00 0.00 C ATOM 1437 C ASN A 93 -15.879 0.928 1.750 1.00 0.00 C ATOM 1438 O ASN A 93 -14.737 0.649 2.119 1.00 0.00 O ATOM 1439 CB ASN A 93 -17.049 -1.241 2.178 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.121 -2.211 1.724 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.899 -1.916 0.816 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.169 -3.378 2.357 1.00 0.00 N ATOM 0 H ASN A 93 -15.381 -1.289 0.106 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.736 0.326 0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.124 -1.787 2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.348 -0.789 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.870 -4.071 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.505 -3.581 3.104 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.390 2.152 1.843 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.621 3.261 2.397 1.00 0.00 C ATOM 1451 C ARG A 94 -15.161 2.951 3.815 1.00 0.00 C ATOM 1452 O ARG A 94 -14.099 3.398 4.248 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.453 4.545 2.384 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.686 5.771 2.850 1.00 0.00 C ATOM 1455 CD ARG A 94 -15.740 5.921 4.362 1.00 0.00 C ATOM 1456 NE ARG A 94 -15.770 7.323 4.771 1.00 0.00 N ATOM 1457 CZ ARG A 94 -16.838 8.108 4.647 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -17.963 7.633 4.127 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -16.781 9.372 5.045 1.00 0.00 N ATOM 0 H ARG A 94 -17.332 2.401 1.542 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.738 3.404 1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.821 4.719 1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.326 4.409 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.647 5.696 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.102 6.662 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.624 5.412 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.873 5.432 4.806 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.924 7.724 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.013 6.662 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.778 8.239 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.919 9.742 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.599 9.974 4.950 1.00 0.00 H new ATOM 1473 N THR A 95 -15.970 2.183 4.529 1.00 0.00 N ATOM 1474 CA THR A 95 -15.674 1.802 5.888 1.00 0.00 C ATOM 1475 C THR A 95 -14.458 0.882 5.950 1.00 0.00 C ATOM 1476 O THR A 95 -13.558 1.084 6.765 1.00 0.00 O ATOM 1477 CB THR A 95 -16.891 1.113 6.475 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.050 1.404 5.714 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.170 1.511 7.898 1.00 0.00 C ATOM 0 H THR A 95 -16.851 1.809 4.175 1.00 0.00 H new ATOM 0 HA THR A 95 -15.437 2.694 6.467 1.00 0.00 H new ATOM 0 HB THR A 95 -16.659 0.048 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.823 0.949 6.108 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.053 0.982 8.257 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.314 1.254 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.345 2.586 7.948 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.435 -0.123 5.081 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.326 -1.066 5.039 1.00 0.00 C ATOM 1489 C VAL A 96 -12.018 -0.339 4.743 1.00 0.00 C ATOM 1490 O VAL A 96 -10.959 -0.713 5.245 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.551 -2.163 3.980 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.414 -3.176 3.999 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -14.888 -2.855 4.205 1.00 0.00 C ATOM 0 H VAL A 96 -15.171 -0.304 4.398 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.268 -1.540 6.019 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.567 -1.690 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.595 -3.940 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.472 -2.670 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.360 -3.644 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.030 -3.626 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -14.900 -3.311 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.693 -2.124 4.133 1.00 0.00 H new ATOM 1503 N MET A 97 -12.105 0.709 3.931 1.00 0.00 N ATOM 1504 CA MET A 97 -10.932 1.496 3.575 1.00 0.00 C ATOM 1505 C MET A 97 -10.346 2.169 4.809 1.00 0.00 C ATOM 1506 O MET A 97 -9.128 2.279 4.950 1.00 0.00 O ATOM 1507 CB MET A 97 -11.294 2.555 2.530 1.00 0.00 C ATOM 1508 CG MET A 97 -11.364 2.011 1.114 1.00 0.00 C ATOM 1509 SD MET A 97 -10.306 2.912 -0.036 1.00 0.00 S ATOM 1510 CE MET A 97 -10.857 4.593 0.245 1.00 0.00 C ATOM 0 H MET A 97 -12.975 1.032 3.508 1.00 0.00 H new ATOM 0 HA MET A 97 -10.186 0.823 3.152 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.257 2.995 2.789 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.556 3.357 2.566 1.00 0.00 H new ATOM 0 HG2 MET A 97 -11.075 0.960 1.119 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.395 2.056 0.763 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.004 5.270 0.188 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.589 4.867 -0.514 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.313 4.666 1.232 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.221 2.618 5.702 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.790 3.280 6.924 1.00 0.00 C ATOM 1522 C ASP A 98 -10.154 2.285 7.884 1.00 0.00 C ATOM 1523 O ASP A 98 -9.190 2.604 8.579 1.00 0.00 O ATOM 1524 CB ASP A 98 -11.971 3.979 7.600 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.534 5.108 6.758 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.835 5.560 5.825 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.673 5.542 7.032 1.00 0.00 O ATOM 0 H ASP A 98 -12.233 2.535 5.601 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.044 4.028 6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.757 3.250 7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.652 4.373 8.565 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.697 1.080 7.912 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.184 0.030 8.783 1.00 0.00 C ATOM 1534 C ASN A 99 -8.730 -0.283 8.453 1.00 0.00 C ATOM 1535 O ASN A 99 -7.884 -0.365 9.342 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.033 -1.237 8.653 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.492 -0.991 8.983 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.823 -0.105 9.771 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.376 -1.776 8.377 1.00 0.00 N ATOM 0 H ASN A 99 -11.495 0.802 7.341 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.239 0.388 9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -10.953 -1.622 7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.638 -2.006 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.373 -1.656 8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.058 -2.498 7.731 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.446 -0.451 7.165 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.093 -0.748 6.713 1.00 0.00 C ATOM 1548 C ILE A 100 -6.158 0.422 6.992 1.00 0.00 C ATOM 1549 O ILE A 100 -5.072 0.245 7.544 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.066 -1.069 5.205 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.049 -2.195 4.881 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.657 -1.444 4.762 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.631 -3.542 5.431 1.00 0.00 C ATOM 0 H ILE A 100 -9.136 -0.386 6.416 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.753 -1.622 7.268 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.371 -0.177 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.029 -1.937 5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.157 -2.271 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.658 -1.667 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.980 -0.612 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.323 -2.321 5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.375 -4.292 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.665 -3.823 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.551 -3.483 6.516 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.586 1.618 6.607 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.789 2.817 6.817 1.00 0.00 C ATOM 1567 C LYS A 101 -5.645 3.121 8.305 1.00 0.00 C ATOM 1568 O LYS A 101 -4.661 3.722 8.735 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.412 4.011 6.076 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.456 4.774 6.879 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.166 5.810 6.020 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.559 7.035 6.830 1.00 0.00 C ATOM 1573 NZ LYS A 101 -10.007 7.352 6.691 1.00 0.00 N ATOM 0 H LYS A 101 -7.482 1.782 6.147 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.793 2.641 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.617 4.700 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.871 3.652 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.186 4.075 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.978 5.267 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.515 6.110 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.057 5.366 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.324 6.866 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.967 7.891 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.126 8.157 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.509 6.524 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.400 7.596 7.622 1.00 0.00 H new ATOM 1587 N MET A 102 -6.630 2.693 9.083 1.00 0.00 N ATOM 1588 CA MET A 102 -6.614 2.910 10.525 1.00 0.00 C ATOM 1589 C MET A 102 -5.696 1.907 11.203 1.00 0.00 C ATOM 1590 O MET A 102 -4.995 2.238 12.159 1.00 0.00 O ATOM 1591 CB MET A 102 -8.027 2.802 11.106 1.00 0.00 C ATOM 1592 CG MET A 102 -8.826 4.091 11.004 1.00 0.00 C ATOM 1593 SD MET A 102 -10.388 4.011 11.901 1.00 0.00 S ATOM 1594 CE MET A 102 -11.169 2.614 11.101 1.00 0.00 C ATOM 0 H MET A 102 -7.451 2.193 8.741 1.00 0.00 H new ATOM 0 HA MET A 102 -6.237 3.916 10.712 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.565 2.009 10.587 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.959 2.508 12.153 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.229 4.916 11.394 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.025 4.309 9.955 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.199 2.526 11.446 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.160 2.761 10.021 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.625 1.702 11.348 1.00 0.00 H new ATOM 1604 N THR A 103 -5.703 0.677 10.701 1.00 0.00 N ATOM 1605 CA THR A 103 -4.871 -0.374 11.258 1.00 0.00 C ATOM 1606 C THR A 103 -3.431 -0.244 10.763 1.00 0.00 C ATOM 1607 O THR A 103 -2.486 -0.462 11.521 1.00 0.00 O ATOM 1608 CB THR A 103 -5.460 -1.741 10.904 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.969 -2.382 12.059 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.465 -2.669 10.268 1.00 0.00 C ATOM 0 H THR A 103 -6.277 0.387 9.909 1.00 0.00 H new ATOM 0 HA THR A 103 -4.853 -0.276 12.343 1.00 0.00 H new ATOM 0 HB THR A 103 -6.253 -1.537 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.046 -3.345 11.892 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.947 -3.620 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.090 -2.224 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.634 -2.837 10.953 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.271 0.114 9.495 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.944 0.274 8.916 1.00 0.00 C ATOM 1620 C LEU A 104 -1.201 1.422 9.588 1.00 0.00 C ATOM 1621 O LEU A 104 -0.001 1.329 9.849 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.042 0.518 7.409 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.253 -0.738 6.564 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.502 -0.368 5.110 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.055 -1.668 6.684 1.00 0.00 C ATOM 0 H LEU A 104 -4.040 0.298 8.851 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.385 -0.647 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.865 1.207 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.130 1.013 7.076 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.132 -1.262 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.650 -1.275 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.392 0.258 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.643 0.179 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.222 -2.557 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.159 -1.154 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.924 -1.960 7.726 1.00 0.00 H new ATOM 1637 N GLN A 105 -1.924 2.501 9.875 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.334 3.661 10.527 1.00 0.00 C ATOM 1639 C GLN A 105 -0.805 3.287 11.906 1.00 0.00 C ATOM 1640 O GLN A 105 0.175 3.856 12.384 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.361 4.788 10.650 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.460 5.663 9.411 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.315 6.896 9.635 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -3.978 7.026 10.664 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -3.305 7.807 8.669 1.00 0.00 N ATOM 0 H GLN A 105 -2.918 2.594 9.666 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.503 4.009 9.914 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.340 4.355 10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.101 5.412 11.505 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.459 5.970 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.878 5.079 8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.740 7.658 7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.862 8.656 8.763 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.462 2.321 12.532 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.061 1.858 13.854 1.00 0.00 C ATOM 1656 C GLN A 106 0.275 1.129 13.786 1.00 0.00 C ATOM 1657 O GLN A 106 1.093 1.221 14.704 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.129 0.935 14.444 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.400 1.660 14.857 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.494 0.711 15.302 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.448 -0.485 15.016 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.486 1.241 16.009 1.00 0.00 N ATOM 0 H GLN A 106 -2.276 1.842 12.146 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.951 2.729 14.500 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.380 0.168 13.711 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.715 0.422 15.312 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.172 2.352 15.668 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.761 2.258 14.020 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.484 2.238 16.223 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.250 0.651 16.338 1.00 0.00 H new ATOM 1671 N ILE A 107 0.493 0.406 12.693 1.00 0.00 N ATOM 1672 CA ILE A 107 1.732 -0.340 12.505 1.00 0.00 C ATOM 1673 C ILE A 107 2.912 0.603 12.316 1.00 0.00 C ATOM 1674 O ILE A 107 3.943 0.459 12.971 1.00 0.00 O ATOM 1675 CB ILE A 107 1.637 -1.297 11.300 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.436 -2.232 11.461 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.922 -2.099 11.154 1.00 0.00 C ATOM 1678 CD1 ILE A 107 0.071 -2.968 10.190 1.00 0.00 C ATOM 0 H ILE A 107 -0.172 0.321 11.924 1.00 0.00 H new ATOM 0 HA ILE A 107 1.890 -0.932 13.406 1.00 0.00 H new ATOM 0 HB ILE A 107 1.498 -0.705 10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.654 -2.959 12.243 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.424 -1.652 11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.837 -2.769 10.299 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.760 -1.419 11.001 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.090 -2.684 12.058 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.788 -3.612 10.377 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.178 -2.247 9.411 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.916 -3.575 9.866 1.00 0.00 H new ATOM 1690 N ILE A 108 2.753 1.583 11.435 1.00 0.00 N ATOM 1691 CA ILE A 108 3.814 2.555 11.198 1.00 0.00 C ATOM 1692 C ILE A 108 4.119 3.275 12.487 1.00 0.00 C ATOM 1693 O ILE A 108 5.227 3.210 13.016 1.00 0.00 O ATOM 1694 CB ILE A 108 3.429 3.615 10.147 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.636 3.000 8.998 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.673 4.315 9.625 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.695 3.982 8.339 1.00 0.00 C ATOM 0 H ILE A 108 1.910 1.726 10.878 1.00 0.00 H new ATOM 0 HA ILE A 108 4.675 2.001 10.825 1.00 0.00 H new ATOM 0 HB ILE A 108 2.788 4.351 10.632 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.329 2.613 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.063 2.151 9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.387 5.061 8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.189 4.804 10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.337 3.583 9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.159 3.486 7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.980 4.351 9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.266 4.819 7.937 1.00 0.00 H new ATOM 1709 N SER A 109 3.103 3.947 12.984 1.00 0.00 N ATOM 1710 CA SER A 109 3.204 4.690 14.232 1.00 0.00 C ATOM 1711 C SER A 109 3.806 3.823 15.331 1.00 0.00 C ATOM 1712 O SER A 109 4.456 4.325 16.248 1.00 0.00 O ATOM 1713 CB SER A 109 1.829 5.206 14.662 1.00 0.00 C ATOM 1714 OG SER A 109 1.234 5.984 13.640 1.00 0.00 O ATOM 0 H SER A 109 2.186 3.997 12.541 1.00 0.00 H new ATOM 0 HA SER A 109 3.862 5.543 14.065 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.181 4.364 14.906 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.929 5.804 15.568 1.00 0.00 H new ATOM 0 HG SER A 109 0.631 5.422 13.110 1.00 0.00 H new ATOM 1720 N ARG A 110 3.588 2.516 15.231 1.00 0.00 N ATOM 1721 CA ARG A 110 4.115 1.579 16.216 1.00 0.00 C ATOM 1722 C ARG A 110 5.634 1.528 16.151 1.00 0.00 C ATOM 1723 O ARG A 110 6.308 1.368 17.169 1.00 0.00 O ATOM 1724 CB ARG A 110 3.533 0.181 15.993 1.00 0.00 C ATOM 1725 CG ARG A 110 2.391 -0.164 16.933 1.00 0.00 C ATOM 1726 CD ARG A 110 1.876 -1.573 16.685 1.00 0.00 C ATOM 1727 NE ARG A 110 0.672 -1.860 17.461 1.00 0.00 N ATOM 1728 CZ ARG A 110 0.681 -2.175 18.754 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.826 -2.242 19.419 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -0.459 -2.424 19.383 1.00 0.00 N ATOM 0 H ARG A 110 3.051 2.082 14.480 1.00 0.00 H new ATOM 0 HA ARG A 110 3.821 1.928 17.206 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.181 0.104 14.964 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.326 -0.556 16.114 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.728 -0.074 17.966 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.579 0.551 16.799 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.662 -1.699 15.624 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.653 -2.293 16.941 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.228 -1.816 16.984 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.706 -2.052 18.940 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.827 -2.484 20.410 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.343 -2.374 18.876 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.453 -2.665 20.374 1.00 0.00 H new ATOM 1744 N TYR A 111 6.164 1.667 14.946 1.00 0.00 N ATOM 1745 CA TYR A 111 7.607 1.639 14.735 1.00 0.00 C ATOM 1746 C TYR A 111 8.177 3.053 14.686 1.00 0.00 C ATOM 1747 O TYR A 111 9.323 3.285 15.073 1.00 0.00 O ATOM 1748 CB TYR A 111 7.944 0.888 13.447 1.00 0.00 C ATOM 1749 CG TYR A 111 7.587 -0.579 13.496 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.364 -1.480 14.214 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.468 -1.063 12.830 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.038 -2.821 14.265 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.134 -2.403 12.878 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.922 -3.278 13.595 1.00 0.00 C ATOM 1755 OH TYR A 111 6.592 -4.614 13.645 1.00 0.00 O ATOM 0 H TYR A 111 5.617 1.801 14.096 1.00 0.00 H new ATOM 0 HA TYR A 111 8.062 1.115 15.576 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.417 1.355 12.615 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.011 0.988 13.245 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.238 -1.126 14.741 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.849 -0.381 12.266 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.653 -3.508 14.826 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.260 -2.763 12.356 1.00 0.00 H new ATOM 0 HH TYR A 111 5.671 -4.735 13.334 1.00 0.00 H new ATOM 1765 N LYS A 112 7.369 3.995 14.213 1.00 0.00 N ATOM 1766 CA LYS A 112 7.790 5.387 14.120 1.00 0.00 C ATOM 1767 C LYS A 112 7.948 5.995 15.511 1.00 0.00 C ATOM 1768 O LYS A 112 8.857 6.786 15.755 1.00 0.00 O ATOM 1769 CB LYS A 112 6.777 6.195 13.304 1.00 0.00 C ATOM 1770 CG LYS A 112 7.354 6.763 12.016 1.00 0.00 C ATOM 1771 CD LYS A 112 6.571 6.298 10.802 1.00 0.00 C ATOM 1772 CE LYS A 112 6.624 7.322 9.679 1.00 0.00 C ATOM 1773 NZ LYS A 112 7.689 7.006 8.688 1.00 0.00 N ATOM 0 H LYS A 112 6.418 3.819 13.888 1.00 0.00 H new ATOM 0 HA LYS A 112 8.756 5.420 13.616 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.926 5.558 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.399 7.014 13.916 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.344 7.852 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.396 6.457 11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.974 5.349 10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.533 6.119 11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.658 7.358 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.801 8.312 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.470 7.686 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.045 6.043 8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.298 7.068 7.726 1.00 0.00 H new