USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 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 87 SER OG : rot 12:sc= 1.57 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 167:sc= 1.13 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -110:sc= 0.736 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.845 X(o=1.6,f=1.1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 15 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 16 SER OG : rot 64:sc= 1.31 USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= 1.62 (180deg=1.12) USER MOD Single : A 34 MET CE :methyl -155:sc= -0.0735 (180deg=-0.321) USER MOD Single : A 44 GLN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1.17) USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 3.61 (180deg=3.61) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.0706 K(o=0.071,f=-4.3!) USER MOD Single : A 61 GLN : amide:sc= 1.02 K(o=1,f=-0.099) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.17) USER MOD Single : A 67 TYR OH : rot -140:sc= 0.366 USER MOD Single : A 70 MET CE :methyl -173:sc= 0 (180deg=-0.0739) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 129:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 1.28 (180deg=1.18) USER MOD Single : A 97 GLN : amide:sc= 0.291 X(o=0.29,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 102 LYS NZ :NH3+ -159:sc= 1.23 (180deg=1.17) USER MOD Single : A 103 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.101 2.262 0.925 1.00 0.00 N ATOM 31 CA ILE A 3 7.032 2.713 1.954 1.00 0.00 C ATOM 32 C ILE A 3 6.454 4.014 2.536 1.00 0.00 C ATOM 33 O ILE A 3 5.880 4.832 1.809 1.00 0.00 O ATOM 34 CB ILE A 3 8.437 2.913 1.345 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.009 1.576 0.817 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.443 3.507 2.350 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.719 1.773 -0.517 1.00 0.00 C ATOM 0 HA ILE A 3 7.147 1.977 2.750 1.00 0.00 H new ATOM 0 HB ILE A 3 8.306 3.620 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.706 1.162 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.202 0.852 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.413 3.625 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.086 4.479 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.542 2.837 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.111 0.817 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.014 2.164 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.540 2.478 -0.391 1.00 0.00 H new ATOM 49 N VAL A 4 6.626 4.212 3.840 1.00 0.00 N ATOM 50 CA VAL A 4 6.074 5.310 4.627 1.00 0.00 C ATOM 51 C VAL A 4 7.180 5.790 5.584 1.00 0.00 C ATOM 52 O VAL A 4 8.174 5.089 5.808 1.00 0.00 O ATOM 53 CB VAL A 4 4.792 4.816 5.354 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.047 5.914 6.131 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.770 4.186 4.386 1.00 0.00 C ATOM 0 H VAL A 4 7.185 3.575 4.407 1.00 0.00 H new ATOM 0 HA VAL A 4 5.770 6.157 4.012 1.00 0.00 H new ATOM 0 HB VAL A 4 5.175 4.075 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.165 5.487 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.706 6.332 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.741 6.703 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.894 3.858 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.470 4.924 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.223 3.330 3.886 1.00 0.00 H new ATOM 65 N LYS A 5 7.009 6.982 6.155 1.00 0.00 N ATOM 66 CA LYS A 5 7.882 7.575 7.169 1.00 0.00 C ATOM 67 C LYS A 5 7.053 7.698 8.442 1.00 0.00 C ATOM 68 O LYS A 5 5.853 7.969 8.360 1.00 0.00 O ATOM 69 CB LYS A 5 8.333 8.964 6.689 1.00 0.00 C ATOM 70 CG LYS A 5 9.387 9.669 7.566 1.00 0.00 C ATOM 71 CD LYS A 5 10.771 8.997 7.593 1.00 0.00 C ATOM 72 CE LYS A 5 11.393 8.792 6.202 1.00 0.00 C ATOM 73 NZ LYS A 5 11.669 10.073 5.493 1.00 0.00 N ATOM 0 H LYS A 5 6.224 7.587 5.913 1.00 0.00 H new ATOM 0 HA LYS A 5 8.770 6.968 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.734 8.866 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.455 9.607 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.505 10.693 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.008 9.726 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.447 9.604 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.684 8.029 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.323 8.232 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.721 8.185 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.087 9.872 4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.780 10.598 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.332 10.644 6.054 1.00 0.00 H new ATOM 87 N ALA A 6 7.673 7.538 9.607 1.00 0.00 N ATOM 88 CA ALA A 6 6.985 7.624 10.889 1.00 0.00 C ATOM 89 C ALA A 6 7.904 8.179 11.974 1.00 0.00 C ATOM 90 O ALA A 6 9.124 8.241 11.810 1.00 0.00 O ATOM 91 CB ALA A 6 6.479 6.230 11.291 1.00 0.00 C ATOM 0 H ALA A 6 8.671 7.344 9.688 1.00 0.00 H new ATOM 0 HA ALA A 6 6.142 8.306 10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.964 6.292 12.250 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.789 5.860 10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.324 5.547 11.377 1.00 0.00 H new ATOM 97 N THR A 7 7.288 8.531 13.100 1.00 0.00 N ATOM 98 CA THR A 7 7.929 8.870 14.362 1.00 0.00 C ATOM 99 C THR A 7 7.137 8.169 15.468 1.00 0.00 C ATOM 100 O THR A 7 6.039 7.666 15.210 1.00 0.00 O ATOM 101 CB THR A 7 7.941 10.393 14.588 1.00 0.00 C ATOM 102 OG1 THR A 7 6.669 10.967 14.338 1.00 0.00 O ATOM 103 CG2 THR A 7 8.967 11.127 13.726 1.00 0.00 C ATOM 0 H THR A 7 6.271 8.590 13.156 1.00 0.00 H new ATOM 0 HA THR A 7 8.969 8.544 14.359 1.00 0.00 H new ATOM 0 HB THR A 7 8.217 10.516 15.635 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.709 11.508 13.522 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.921 12.196 13.936 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.966 10.755 13.953 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.747 10.955 12.672 1.00 0.00 H new ATOM 111 N ASP A 8 7.624 8.199 16.711 1.00 0.00 N ATOM 112 CA ASP A 8 6.913 7.666 17.881 1.00 0.00 C ATOM 113 C ASP A 8 5.462 8.166 17.984 1.00 0.00 C ATOM 114 O ASP A 8 4.591 7.462 18.496 1.00 0.00 O ATOM 115 CB ASP A 8 7.646 8.048 19.170 1.00 0.00 C ATOM 116 CG ASP A 8 6.967 7.423 20.402 1.00 0.00 C ATOM 117 OD1 ASP A 8 6.981 6.178 20.547 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.436 8.182 21.244 1.00 0.00 O ATOM 0 H ASP A 8 8.534 8.599 16.938 1.00 0.00 H new ATOM 0 HA ASP A 8 6.891 6.584 17.751 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.682 7.715 19.115 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.665 9.133 19.273 1.00 0.00 H new ATOM 123 N GLN A 9 5.202 9.367 17.455 1.00 0.00 N ATOM 124 CA GLN A 9 3.894 10.013 17.415 1.00 0.00 C ATOM 125 C GLN A 9 2.826 9.160 16.712 1.00 0.00 C ATOM 126 O GLN A 9 1.653 9.234 17.086 1.00 0.00 O ATOM 127 CB GLN A 9 4.014 11.364 16.687 1.00 0.00 C ATOM 128 CG GLN A 9 5.056 12.319 17.292 1.00 0.00 C ATOM 129 CD GLN A 9 5.161 13.612 16.482 1.00 0.00 C ATOM 130 OE1 GLN A 9 4.697 14.673 16.901 1.00 0.00 O ATOM 131 NE2 GLN A 9 5.764 13.558 15.306 1.00 0.00 N ATOM 0 H GLN A 9 5.932 9.936 17.026 1.00 0.00 H new ATOM 0 HA GLN A 9 3.574 10.150 18.448 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.270 11.180 15.644 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.041 11.855 16.694 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.784 12.553 18.321 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.028 11.827 17.324 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.145 12.674 14.968 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.848 14.400 14.737 1.00 0.00 H new ATOM 140 N SER A 10 3.221 8.360 15.713 1.00 0.00 N ATOM 141 CA SER A 10 2.294 7.670 14.811 1.00 0.00 C ATOM 142 C SER A 10 2.749 6.256 14.425 1.00 0.00 C ATOM 143 O SER A 10 2.003 5.549 13.748 1.00 0.00 O ATOM 144 CB SER A 10 2.099 8.518 13.542 1.00 0.00 C ATOM 145 OG SER A 10 1.762 9.865 13.847 1.00 0.00 O ATOM 0 H SER A 10 4.202 8.173 15.508 1.00 0.00 H new ATOM 0 HA SER A 10 1.354 7.552 15.351 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.014 8.499 12.949 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.313 8.078 12.929 1.00 0.00 H new ATOM 0 HG SER A 10 1.648 10.370 13.015 1.00 0.00 H new ATOM 151 N PHE A 11 3.943 5.822 14.838 1.00 0.00 N ATOM 152 CA PHE A 11 4.515 4.531 14.467 1.00 0.00 C ATOM 153 C PHE A 11 3.567 3.376 14.796 1.00 0.00 C ATOM 154 O PHE A 11 3.392 2.470 13.983 1.00 0.00 O ATOM 155 CB PHE A 11 5.864 4.366 15.184 1.00 0.00 C ATOM 156 CG PHE A 11 6.593 3.084 14.852 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.408 3.024 13.706 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.468 1.955 15.683 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.108 1.847 13.401 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.165 0.775 15.371 1.00 0.00 C ATOM 161 CZ PHE A 11 7.989 0.721 14.235 1.00 0.00 C ATOM 0 H PHE A 11 4.547 6.370 15.450 1.00 0.00 H new ATOM 0 HA PHE A 11 4.669 4.506 13.388 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.504 5.211 14.928 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.697 4.407 16.260 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.495 3.885 13.060 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.838 1.995 16.559 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.739 1.806 12.525 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.067 -0.093 16.007 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.530 -0.184 14.002 1.00 0.00 H new ATOM 171 N SER A 12 2.917 3.421 15.958 1.00 0.00 N ATOM 172 CA SER A 12 1.947 2.425 16.387 1.00 0.00 C ATOM 173 C SER A 12 0.768 2.329 15.419 1.00 0.00 C ATOM 174 O SER A 12 0.380 1.232 15.015 1.00 0.00 O ATOM 175 CB SER A 12 1.494 2.765 17.814 1.00 0.00 C ATOM 176 OG SER A 12 1.327 4.169 17.978 1.00 0.00 O ATOM 0 H SER A 12 3.056 4.168 16.639 1.00 0.00 H new ATOM 0 HA SER A 12 2.414 1.440 16.385 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.555 2.256 18.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.229 2.397 18.530 1.00 0.00 H new ATOM 0 HG SER A 12 1.037 4.359 18.894 1.00 0.00 H new ATOM 182 N ALA A 13 0.221 3.472 15.003 1.00 0.00 N ATOM 183 CA ALA A 13 -0.877 3.517 14.052 1.00 0.00 C ATOM 184 C ALA A 13 -0.431 2.961 12.702 1.00 0.00 C ATOM 185 O ALA A 13 -1.145 2.161 12.097 1.00 0.00 O ATOM 186 CB ALA A 13 -1.407 4.950 13.917 1.00 0.00 C ATOM 0 H ALA A 13 0.531 4.391 15.320 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.691 2.892 14.420 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.229 4.968 13.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.762 5.299 14.886 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.607 5.602 13.567 1.00 0.00 H new ATOM 192 N GLU A 14 0.763 3.346 12.247 1.00 0.00 N ATOM 193 CA GLU A 14 1.292 2.897 10.966 1.00 0.00 C ATOM 194 C GLU A 14 1.504 1.383 10.959 1.00 0.00 C ATOM 195 O GLU A 14 1.252 0.740 9.938 1.00 0.00 O ATOM 196 CB GLU A 14 2.598 3.628 10.598 1.00 0.00 C ATOM 197 CG GLU A 14 2.408 5.098 10.181 1.00 0.00 C ATOM 198 CD GLU A 14 1.425 5.299 9.011 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.252 4.375 8.185 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.817 6.390 8.919 1.00 0.00 O ATOM 0 H GLU A 14 1.384 3.975 12.756 1.00 0.00 H new ATOM 0 HA GLU A 14 0.549 3.145 10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.275 3.590 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.083 3.091 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.053 5.665 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.377 5.514 9.903 1.00 0.00 H new ATOM 207 N THR A 15 1.913 0.798 12.086 1.00 0.00 N ATOM 208 CA THR A 15 2.220 -0.617 12.204 1.00 0.00 C ATOM 209 C THR A 15 0.987 -1.482 12.496 1.00 0.00 C ATOM 210 O THR A 15 1.115 -2.701 12.630 1.00 0.00 O ATOM 211 CB THR A 15 3.366 -0.808 13.209 1.00 0.00 C ATOM 212 OG1 THR A 15 3.129 -0.150 14.433 1.00 0.00 O ATOM 213 CG2 THR A 15 4.691 -0.285 12.638 1.00 0.00 C ATOM 0 H THR A 15 2.041 1.312 12.958 1.00 0.00 H new ATOM 0 HA THR A 15 2.562 -0.980 11.235 1.00 0.00 H new ATOM 0 HB THR A 15 3.424 -1.881 13.391 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.417 0.784 14.363 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.486 -0.432 13.369 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.933 -0.828 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.596 0.778 12.414 1.00 0.00 H new ATOM 221 N SER A 16 -0.211 -0.888 12.537 1.00 0.00 N ATOM 222 CA SER A 16 -1.453 -1.572 12.878 1.00 0.00 C ATOM 223 C SER A 16 -2.334 -1.796 11.643 1.00 0.00 C ATOM 224 O SER A 16 -3.561 -1.807 11.747 1.00 0.00 O ATOM 225 CB SER A 16 -2.171 -0.806 13.999 1.00 0.00 C ATOM 226 OG SER A 16 -1.375 -0.745 15.166 1.00 0.00 O ATOM 0 H SER A 16 -0.342 0.102 12.329 1.00 0.00 H new ATOM 0 HA SER A 16 -1.222 -2.569 13.253 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.405 0.204 13.662 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.119 -1.293 14.227 1.00 0.00 H new ATOM 0 HG SER A 16 -0.559 -0.235 14.979 1.00 0.00 H new ATOM 232 N GLU A 17 -1.718 -1.967 10.467 1.00 0.00 N ATOM 233 CA GLU A 17 -2.427 -2.067 9.187 1.00 0.00 C ATOM 234 C GLU A 17 -1.935 -3.251 8.338 1.00 0.00 C ATOM 235 O GLU A 17 -1.825 -3.155 7.114 1.00 0.00 O ATOM 236 CB GLU A 17 -2.406 -0.718 8.442 1.00 0.00 C ATOM 237 CG GLU A 17 -3.092 0.408 9.233 1.00 0.00 C ATOM 238 CD GLU A 17 -3.351 1.649 8.365 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.391 2.178 7.764 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.513 2.111 8.290 1.00 0.00 O ATOM 0 H GLU A 17 -0.705 -2.040 10.377 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.474 -2.289 9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.373 -0.436 8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.901 -0.833 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.037 0.044 9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.469 0.685 10.084 1.00 0.00 H new ATOM 247 N GLY A 18 -1.630 -4.374 8.993 1.00 0.00 N ATOM 248 CA GLY A 18 -1.239 -5.629 8.349 1.00 0.00 C ATOM 249 C GLY A 18 0.143 -6.036 8.833 1.00 0.00 C ATOM 250 O GLY A 18 0.525 -5.687 9.954 1.00 0.00 O ATOM 0 H GLY A 18 -1.649 -4.437 10.011 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.962 -6.410 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.236 -5.509 7.266 1.00 0.00 H new ATOM 254 N VAL A 19 0.879 -6.793 8.016 1.00 0.00 N ATOM 255 CA VAL A 19 2.304 -6.996 8.250 1.00 0.00 C ATOM 256 C VAL A 19 2.964 -5.679 7.841 1.00 0.00 C ATOM 257 O VAL A 19 2.661 -5.126 6.778 1.00 0.00 O ATOM 258 CB VAL A 19 2.864 -8.186 7.442 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.357 -8.413 7.747 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.108 -9.481 7.772 1.00 0.00 C ATOM 0 H VAL A 19 0.512 -7.271 7.193 1.00 0.00 H new ATOM 0 HA VAL A 19 2.504 -7.247 9.292 1.00 0.00 H new ATOM 0 HB VAL A 19 2.736 -7.939 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.723 -9.258 7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.922 -7.518 7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.483 -8.624 8.809 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.523 -10.303 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.211 -9.702 8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.053 -9.359 7.527 1.00 0.00 H new ATOM 270 N VAL A 20 3.870 -5.178 8.671 1.00 0.00 N ATOM 271 CA VAL A 20 4.566 -3.927 8.453 1.00 0.00 C ATOM 272 C VAL A 20 6.024 -4.191 8.817 1.00 0.00 C ATOM 273 O VAL A 20 6.300 -4.805 9.847 1.00 0.00 O ATOM 274 CB VAL A 20 3.910 -2.809 9.295 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.574 -1.456 8.995 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.392 -2.697 9.018 1.00 0.00 C ATOM 0 H VAL A 20 4.144 -5.646 9.535 1.00 0.00 H new ATOM 0 HA VAL A 20 4.510 -3.580 7.421 1.00 0.00 H new ATOM 0 HB VAL A 20 4.052 -3.071 10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.102 -0.678 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.635 -1.509 9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.457 -1.220 7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.968 -1.900 9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.230 -2.471 7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.906 -3.641 9.265 1.00 0.00 H new ATOM 286 N LEU A 21 6.960 -3.753 7.977 1.00 0.00 N ATOM 287 CA LEU A 21 8.386 -3.982 8.171 1.00 0.00 C ATOM 288 C LEU A 21 9.016 -2.606 8.345 1.00 0.00 C ATOM 289 O LEU A 21 9.151 -1.829 7.396 1.00 0.00 O ATOM 290 CB LEU A 21 8.938 -4.839 7.018 1.00 0.00 C ATOM 291 CG LEU A 21 10.339 -5.433 7.259 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.682 -6.393 6.112 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.445 -4.385 7.382 1.00 0.00 C ATOM 0 H LEU A 21 6.744 -3.223 7.133 1.00 0.00 H new ATOM 0 HA LEU A 21 8.625 -4.565 9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.242 -5.656 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.969 -4.229 6.115 1.00 0.00 H new ATOM 0 HG LEU A 21 10.295 -5.951 8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.673 -6.817 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.945 -7.195 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.672 -5.849 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.400 -4.882 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.497 -3.801 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.228 -3.723 8.220 1.00 0.00 H new ATOM 305 N ALA A 22 9.292 -2.258 9.595 1.00 0.00 N ATOM 306 CA ALA A 22 9.898 -0.996 9.949 1.00 0.00 C ATOM 307 C ALA A 22 11.408 -1.088 9.753 1.00 0.00 C ATOM 308 O ALA A 22 12.001 -2.127 10.038 1.00 0.00 O ATOM 309 CB ALA A 22 9.575 -0.676 11.402 1.00 0.00 C ATOM 0 H ALA A 22 9.096 -2.857 10.397 1.00 0.00 H new ATOM 0 HA ALA A 22 9.506 -0.203 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.030 0.276 11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.494 -0.611 11.529 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.969 -1.464 12.044 1.00 0.00 H new ATOM 315 N ASP A 23 12.028 0.015 9.346 1.00 0.00 N ATOM 316 CA ASP A 23 13.449 0.136 9.047 1.00 0.00 C ATOM 317 C ASP A 23 13.993 1.296 9.874 1.00 0.00 C ATOM 318 O ASP A 23 13.851 2.470 9.521 1.00 0.00 O ATOM 319 CB ASP A 23 13.675 0.339 7.545 1.00 0.00 C ATOM 320 CG ASP A 23 15.133 0.729 7.233 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.060 0.142 7.833 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.344 1.591 6.350 1.00 0.00 O ATOM 0 H ASP A 23 11.527 0.893 9.209 1.00 0.00 H new ATOM 0 HA ASP A 23 13.981 -0.779 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.422 -0.578 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.004 1.116 7.178 1.00 0.00 H new ATOM 327 N PHE A 24 14.525 0.943 11.041 1.00 0.00 N ATOM 328 CA PHE A 24 15.204 1.838 11.955 1.00 0.00 C ATOM 329 C PHE A 24 16.550 2.148 11.314 1.00 0.00 C ATOM 330 O PHE A 24 17.389 1.253 11.148 1.00 0.00 O ATOM 331 CB PHE A 24 15.333 1.182 13.341 1.00 0.00 C ATOM 332 CG PHE A 24 14.010 1.097 14.086 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.001 0.211 13.655 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.753 1.954 15.174 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.736 0.230 14.264 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.487 1.971 15.782 1.00 0.00 C ATOM 337 CZ PHE A 24 11.469 1.127 15.308 1.00 0.00 C ATOM 0 H PHE A 24 14.490 -0.017 11.384 1.00 0.00 H new ATOM 0 HA PHE A 24 14.654 2.764 12.122 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.743 0.179 13.225 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.045 1.750 13.940 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.202 -0.485 12.854 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.534 2.602 15.543 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.966 -0.448 13.927 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.296 2.633 16.614 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.483 1.169 15.747 1.00 0.00 H new ATOM 347 N TRP A 25 16.717 3.410 10.916 1.00 0.00 N ATOM 348 CA TRP A 25 17.846 3.894 10.140 1.00 0.00 C ATOM 349 C TRP A 25 18.102 5.359 10.519 1.00 0.00 C ATOM 350 O TRP A 25 17.449 5.882 11.418 1.00 0.00 O ATOM 351 CB TRP A 25 17.569 3.666 8.632 1.00 0.00 C ATOM 352 CG TRP A 25 17.437 4.867 7.737 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.362 5.288 6.845 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.387 5.884 7.717 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.927 6.447 6.237 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.759 6.907 6.796 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.188 6.078 8.429 1.00 0.00 C ATOM 358 CZ2 TRP A 25 16.008 8.078 6.623 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.417 7.246 8.260 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.839 8.255 7.376 1.00 0.00 C ATOM 0 H TRP A 25 16.043 4.144 11.136 1.00 0.00 H new ATOM 0 HA TRP A 25 18.761 3.344 10.362 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.373 3.045 8.237 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.649 3.087 8.548 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.299 4.792 6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.413 6.906 5.467 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.852 5.317 9.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.326 8.833 5.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.497 7.367 8.813 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.264 9.164 7.278 1.00 0.00 H new ATOM 371 N ALA A 26 19.059 6.018 9.869 1.00 0.00 N ATOM 372 CA ALA A 26 19.249 7.461 9.916 1.00 0.00 C ATOM 373 C ALA A 26 19.900 7.832 8.584 1.00 0.00 C ATOM 374 O ALA A 26 20.685 7.032 8.070 1.00 0.00 O ATOM 375 CB ALA A 26 20.153 7.853 11.092 1.00 0.00 C ATOM 0 H ALA A 26 19.743 5.546 9.278 1.00 0.00 H new ATOM 0 HA ALA A 26 18.305 7.986 10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.281 8.935 11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.696 7.528 12.027 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.126 7.374 10.979 1.00 0.00 H new ATOM 381 N PRO A 27 19.660 9.015 8.002 1.00 0.00 N ATOM 382 CA PRO A 27 20.257 9.360 6.715 1.00 0.00 C ATOM 383 C PRO A 27 21.778 9.547 6.783 1.00 0.00 C ATOM 384 O PRO A 27 22.431 9.571 5.740 1.00 0.00 O ATOM 385 CB PRO A 27 19.517 10.606 6.236 1.00 0.00 C ATOM 386 CG PRO A 27 19.004 11.249 7.528 1.00 0.00 C ATOM 387 CD PRO A 27 18.764 10.062 8.463 1.00 0.00 C ATOM 0 HA PRO A 27 20.143 8.543 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.179 11.279 5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.698 10.351 5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.733 11.944 7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.087 11.813 7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.974 10.330 9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.725 9.735 8.423 1.00 0.00 H new ATOM 395 N TRP A 28 22.365 9.620 7.981 1.00 0.00 N ATOM 396 CA TRP A 28 23.813 9.635 8.173 1.00 0.00 C ATOM 397 C TRP A 28 24.430 8.236 7.983 1.00 0.00 C ATOM 398 O TRP A 28 25.654 8.110 7.893 1.00 0.00 O ATOM 399 CB TRP A 28 24.152 10.213 9.557 1.00 0.00 C ATOM 400 CG TRP A 28 23.107 11.124 10.128 1.00 0.00 C ATOM 401 CD1 TRP A 28 22.285 10.781 11.136 1.00 0.00 C ATOM 402 CD2 TRP A 28 22.654 12.438 9.676 1.00 0.00 C ATOM 403 NE1 TRP A 28 21.345 11.768 11.339 1.00 0.00 N ATOM 404 CE2 TRP A 28 21.523 12.820 10.464 1.00 0.00 C ATOM 405 CE3 TRP A 28 23.057 13.330 8.660 1.00 0.00 C ATOM 406 CZ2 TRP A 28 20.837 14.026 10.254 1.00 0.00 C ATOM 407 CZ3 TRP A 28 22.378 14.545 8.444 1.00 0.00 C ATOM 408 CH2 TRP A 28 21.271 14.893 9.238 1.00 0.00 C ATOM 0 H TRP A 28 21.839 9.671 8.854 1.00 0.00 H new ATOM 0 HA TRP A 28 24.251 10.277 7.409 1.00 0.00 H new ATOM 0 HB2 TRP A 28 24.314 9.388 10.251 1.00 0.00 H new ATOM 0 HB3 TRP A 28 25.092 10.760 9.487 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.352 9.865 11.704 1.00 0.00 H new ATOM 0 HE1 TRP A 28 20.611 11.726 12.046 1.00 0.00 H new ATOM 0 HE3 TRP A 28 23.902 13.077 8.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 19.986 14.284 10.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.710 15.214 7.663 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.755 15.826 9.067 1.00 0.00 H new ATOM 419 N CYS A 29 23.596 7.187 7.960 1.00 0.00 N ATOM 420 CA CYS A 29 23.995 5.795 7.819 1.00 0.00 C ATOM 421 C CYS A 29 24.668 5.551 6.460 1.00 0.00 C ATOM 422 O CYS A 29 24.404 6.266 5.491 1.00 0.00 O ATOM 423 CB CYS A 29 22.745 4.914 7.976 1.00 0.00 C ATOM 424 SG CYS A 29 23.020 3.134 8.146 1.00 0.00 S ATOM 0 H CYS A 29 22.586 7.298 8.043 1.00 0.00 H new ATOM 0 HA CYS A 29 24.724 5.543 8.589 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.194 5.258 8.851 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.103 5.078 7.111 1.00 0.00 H new ATOM 429 N GLY A 30 25.464 4.484 6.367 1.00 0.00 N ATOM 430 CA GLY A 30 26.051 3.994 5.121 1.00 0.00 C ATOM 431 C GLY A 30 25.475 2.627 4.742 1.00 0.00 C ATOM 432 O GLY A 30 24.853 2.523 3.687 1.00 0.00 O ATOM 0 H GLY A 30 25.724 3.923 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 30 25.860 4.708 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.133 3.919 5.230 1.00 0.00 H new ATOM 436 N PRO A 31 25.579 1.587 5.593 1.00 0.00 N ATOM 437 CA PRO A 31 25.032 0.257 5.311 1.00 0.00 C ATOM 438 C PRO A 31 23.532 0.265 4.998 1.00 0.00 C ATOM 439 O PRO A 31 23.075 -0.495 4.146 1.00 0.00 O ATOM 440 CB PRO A 31 25.348 -0.592 6.548 1.00 0.00 C ATOM 441 CG PRO A 31 26.565 0.099 7.159 1.00 0.00 C ATOM 442 CD PRO A 31 26.318 1.573 6.844 1.00 0.00 C ATOM 0 HA PRO A 31 25.486 -0.151 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.509 -0.614 7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.567 -1.625 6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.633 -0.078 8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.496 -0.258 6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.750 2.054 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.258 2.117 6.750 1.00 0.00 H new ATOM 450 N CYS A 32 22.763 1.163 5.626 1.00 0.00 N ATOM 451 CA CYS A 32 21.335 1.323 5.358 1.00 0.00 C ATOM 452 C CYS A 32 21.072 1.649 3.882 1.00 0.00 C ATOM 453 O CYS A 32 20.078 1.207 3.310 1.00 0.00 O ATOM 454 CB CYS A 32 20.745 2.435 6.237 1.00 0.00 C ATOM 455 SG CYS A 32 21.132 2.387 8.015 1.00 0.00 S ATOM 0 H CYS A 32 23.119 1.801 6.338 1.00 0.00 H new ATOM 0 HA CYS A 32 20.852 0.375 5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.086 3.393 5.843 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.661 2.413 6.127 1.00 0.00 H new ATOM 460 N LYS A 33 21.974 2.397 3.237 1.00 0.00 N ATOM 461 CA LYS A 33 21.837 2.778 1.837 1.00 0.00 C ATOM 462 C LYS A 33 21.984 1.562 0.918 1.00 0.00 C ATOM 463 O LYS A 33 21.484 1.602 -0.203 1.00 0.00 O ATOM 464 CB LYS A 33 22.860 3.871 1.462 1.00 0.00 C ATOM 465 CG LYS A 33 22.988 5.037 2.462 1.00 0.00 C ATOM 466 CD LYS A 33 21.694 5.841 2.687 1.00 0.00 C ATOM 467 CE LYS A 33 21.835 6.851 3.841 1.00 0.00 C ATOM 468 NZ LYS A 33 22.940 7.820 3.634 1.00 0.00 N ATOM 0 H LYS A 33 22.822 2.754 3.678 1.00 0.00 H new ATOM 0 HA LYS A 33 20.836 3.186 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.838 3.404 1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.588 4.279 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.323 4.640 3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.764 5.716 2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.433 6.371 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.874 5.156 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.898 7.396 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.004 6.309 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.760 8.677 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.839 7.391 3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.996 8.072 2.627 1.00 0.00 H new ATOM 482 N MET A 34 22.640 0.485 1.371 1.00 0.00 N ATOM 483 CA MET A 34 22.766 -0.747 0.604 1.00 0.00 C ATOM 484 C MET A 34 21.420 -1.470 0.535 1.00 0.00 C ATOM 485 O MET A 34 21.050 -1.967 -0.525 1.00 0.00 O ATOM 486 CB MET A 34 23.818 -1.689 1.215 1.00 0.00 C ATOM 487 CG MET A 34 25.193 -1.039 1.415 1.00 0.00 C ATOM 488 SD MET A 34 26.520 -2.178 1.918 1.00 0.00 S ATOM 489 CE MET A 34 25.743 -3.069 3.299 1.00 0.00 C ATOM 0 H MET A 34 23.097 0.451 2.282 1.00 0.00 H new ATOM 0 HA MET A 34 23.089 -0.474 -0.400 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.454 -2.049 2.177 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.929 -2.561 0.570 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.486 -0.552 0.485 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.102 -0.257 2.169 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.516 -3.449 3.967 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.090 -2.391 3.848 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.157 -3.902 2.911 1.00 0.00 H new ATOM 499 N ILE A 35 20.691 -1.534 1.655 1.00 0.00 N ATOM 500 CA ILE A 35 19.431 -2.268 1.742 1.00 0.00 C ATOM 501 C ILE A 35 18.245 -1.417 1.270 1.00 0.00 C ATOM 502 O ILE A 35 17.267 -1.985 0.801 1.00 0.00 O ATOM 503 CB ILE A 35 19.253 -2.893 3.148 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.121 -3.946 3.145 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.073 -1.833 4.247 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.998 -4.725 4.458 1.00 0.00 C ATOM 0 H ILE A 35 20.962 -1.077 2.526 1.00 0.00 H new ATOM 0 HA ILE A 35 19.464 -3.108 1.048 1.00 0.00 H new ATOM 0 HB ILE A 35 20.179 -3.412 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.174 -3.447 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.294 -4.650 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.953 -2.326 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.950 -1.187 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.188 -1.234 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.183 -5.444 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.931 -5.253 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.793 -4.032 5.274 1.00 0.00 H new ATOM 518 N ALA A 36 18.317 -0.081 1.318 1.00 0.00 N ATOM 519 CA ALA A 36 17.238 0.801 0.866 1.00 0.00 C ATOM 520 C ALA A 36 16.679 0.454 -0.536 1.00 0.00 C ATOM 521 O ALA A 36 15.462 0.285 -0.646 1.00 0.00 O ATOM 522 CB ALA A 36 17.686 2.266 0.962 1.00 0.00 C ATOM 0 H ALA A 36 19.131 0.420 1.674 1.00 0.00 H new ATOM 0 HA ALA A 36 16.396 0.639 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.879 2.916 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.935 2.503 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.563 2.420 0.333 1.00 0.00 H new ATOM 528 N PRO A 37 17.490 0.274 -1.600 1.00 0.00 N ATOM 529 CA PRO A 37 16.953 -0.117 -2.901 1.00 0.00 C ATOM 530 C PRO A 37 16.372 -1.535 -2.879 1.00 0.00 C ATOM 531 O PRO A 37 15.427 -1.819 -3.611 1.00 0.00 O ATOM 532 CB PRO A 37 18.108 0.021 -3.898 1.00 0.00 C ATOM 533 CG PRO A 37 19.353 -0.126 -3.028 1.00 0.00 C ATOM 534 CD PRO A 37 18.922 0.508 -1.707 1.00 0.00 C ATOM 0 HA PRO A 37 16.117 0.522 -3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.065 -0.747 -4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.086 0.985 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.636 -1.171 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.212 0.387 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.454 0.061 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.145 1.575 -1.695 1.00 0.00 H new ATOM 542 N VAL A 38 16.890 -2.417 -2.023 1.00 0.00 N ATOM 543 CA VAL A 38 16.324 -3.741 -1.833 1.00 0.00 C ATOM 544 C VAL A 38 14.935 -3.611 -1.198 1.00 0.00 C ATOM 545 O VAL A 38 14.023 -4.301 -1.636 1.00 0.00 O ATOM 546 CB VAL A 38 17.256 -4.661 -1.014 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.804 -6.117 -1.179 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.726 -4.577 -1.455 1.00 0.00 C ATOM 0 H VAL A 38 17.710 -2.229 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 38 16.220 -4.220 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 38 17.191 -4.326 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.460 -6.769 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.780 -6.223 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.850 -6.395 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.329 -5.246 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.809 -4.870 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.084 -3.554 -1.335 1.00 0.00 H new ATOM 558 N LEU A 39 14.736 -2.712 -0.224 1.00 0.00 N ATOM 559 CA LEU A 39 13.422 -2.443 0.354 1.00 0.00 C ATOM 560 C LEU A 39 12.471 -1.876 -0.698 1.00 0.00 C ATOM 561 O LEU A 39 11.299 -2.240 -0.689 1.00 0.00 O ATOM 562 CB LEU A 39 13.498 -1.494 1.564 1.00 0.00 C ATOM 563 CG LEU A 39 14.245 -2.057 2.789 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.306 -0.992 3.887 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.596 -3.326 3.357 1.00 0.00 C ATOM 0 H LEU A 39 15.486 -2.153 0.182 1.00 0.00 H new ATOM 0 HA LEU A 39 13.034 -3.398 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.987 -0.571 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.484 -1.232 1.865 1.00 0.00 H new ATOM 0 HG LEU A 39 15.246 -2.327 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.834 -1.392 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.833 -0.114 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.294 -0.711 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.168 -3.673 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.574 -3.105 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.584 -4.102 2.592 1.00 0.00 H new ATOM 577 N GLU A 40 12.942 -1.031 -1.619 1.00 0.00 N ATOM 578 CA GLU A 40 12.119 -0.574 -2.737 1.00 0.00 C ATOM 579 C GLU A 40 11.702 -1.746 -3.630 1.00 0.00 C ATOM 580 O GLU A 40 10.540 -1.843 -4.036 1.00 0.00 O ATOM 581 CB GLU A 40 12.824 0.524 -3.548 1.00 0.00 C ATOM 582 CG GLU A 40 12.929 1.845 -2.774 1.00 0.00 C ATOM 583 CD GLU A 40 13.585 2.949 -3.623 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.873 3.632 -4.394 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.813 3.162 -3.516 1.00 0.00 O ATOM 0 H GLU A 40 13.888 -0.651 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 40 11.213 -0.135 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.823 0.185 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.279 0.692 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.934 2.166 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.511 1.690 -1.866 1.00 0.00 H new ATOM 592 N GLU A 41 12.620 -2.658 -3.943 1.00 0.00 N ATOM 593 CA GLU A 41 12.293 -3.854 -4.711 1.00 0.00 C ATOM 594 C GLU A 41 11.291 -4.724 -3.940 1.00 0.00 C ATOM 595 O GLU A 41 10.353 -5.251 -4.532 1.00 0.00 O ATOM 596 CB GLU A 41 13.561 -4.639 -5.079 1.00 0.00 C ATOM 597 CG GLU A 41 14.360 -3.951 -6.196 1.00 0.00 C ATOM 598 CD GLU A 41 15.660 -4.708 -6.523 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.586 -5.883 -6.950 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.762 -4.128 -6.395 1.00 0.00 O ATOM 0 H GLU A 41 13.601 -2.589 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 41 11.823 -3.549 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.191 -4.745 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.285 -5.645 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.745 -3.882 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.600 -2.931 -5.895 1.00 0.00 H new ATOM 607 N LEU A 42 11.448 -4.827 -2.621 1.00 0.00 N ATOM 608 CA LEU A 42 10.560 -5.575 -1.738 1.00 0.00 C ATOM 609 C LEU A 42 9.159 -4.967 -1.766 1.00 0.00 C ATOM 610 O LEU A 42 8.168 -5.687 -1.884 1.00 0.00 O ATOM 611 CB LEU A 42 11.135 -5.583 -0.303 1.00 0.00 C ATOM 612 CG LEU A 42 11.088 -6.934 0.423 1.00 0.00 C ATOM 613 CD1 LEU A 42 9.674 -7.484 0.572 1.00 0.00 C ATOM 614 CD2 LEU A 42 11.975 -7.970 -0.275 1.00 0.00 C ATOM 0 H LEU A 42 12.219 -4.379 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 42 10.488 -6.606 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.172 -5.249 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.588 -4.852 0.292 1.00 0.00 H new ATOM 0 HG LEU A 42 11.472 -6.745 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.709 -8.441 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.069 -6.781 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.232 -7.624 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.921 -8.917 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.630 -8.114 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.006 -7.618 -0.286 1.00 0.00 H new ATOM 626 N ASP A 43 9.067 -3.636 -1.715 1.00 0.00 N ATOM 627 CA ASP A 43 7.809 -2.910 -1.805 1.00 0.00 C ATOM 628 C ASP A 43 7.103 -3.211 -3.119 1.00 0.00 C ATOM 629 O ASP A 43 5.902 -3.463 -3.149 1.00 0.00 O ATOM 630 CB ASP A 43 8.042 -1.401 -1.714 1.00 0.00 C ATOM 631 CG ASP A 43 6.695 -0.680 -1.588 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.016 -0.881 -0.558 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.336 0.097 -2.501 1.00 0.00 O ATOM 0 H ASP A 43 9.879 -3.028 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 43 7.188 -3.236 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.671 -1.171 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.572 -1.051 -2.600 1.00 0.00 H new ATOM 638 N GLN A 44 7.867 -3.241 -4.210 1.00 0.00 N ATOM 639 CA GLN A 44 7.344 -3.507 -5.542 1.00 0.00 C ATOM 640 C GLN A 44 6.923 -4.979 -5.731 1.00 0.00 C ATOM 641 O GLN A 44 6.260 -5.297 -6.720 1.00 0.00 O ATOM 642 CB GLN A 44 8.370 -3.039 -6.583 1.00 0.00 C ATOM 643 CG GLN A 44 8.490 -1.504 -6.578 1.00 0.00 C ATOM 644 CD GLN A 44 9.693 -1.042 -7.397 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.592 -0.741 -8.585 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.858 -0.988 -6.776 1.00 0.00 N ATOM 0 H GLN A 44 8.874 -3.080 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 44 6.424 -2.939 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.341 -3.485 -6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.072 -3.382 -7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.579 -1.064 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.586 -1.147 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.923 -1.241 -5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.693 -0.693 -7.282 1.00 0.00 H new ATOM 655 N GLU A 45 7.263 -5.872 -4.796 1.00 0.00 N ATOM 656 CA GLU A 45 6.961 -7.299 -4.837 1.00 0.00 C ATOM 657 C GLU A 45 5.856 -7.670 -3.849 1.00 0.00 C ATOM 658 O GLU A 45 5.118 -8.623 -4.103 1.00 0.00 O ATOM 659 CB GLU A 45 8.240 -8.090 -4.522 1.00 0.00 C ATOM 660 CG GLU A 45 9.235 -8.086 -5.691 1.00 0.00 C ATOM 661 CD GLU A 45 8.774 -8.971 -6.864 1.00 0.00 C ATOM 662 OE1 GLU A 45 8.974 -10.206 -6.818 1.00 0.00 O ATOM 663 OE2 GLU A 45 8.227 -8.444 -7.859 1.00 0.00 O ATOM 0 H GLU A 45 7.777 -5.605 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 45 6.602 -7.549 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.719 -7.665 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.976 -9.119 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.371 -7.064 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.206 -8.434 -5.338 1.00 0.00 H new ATOM 670 N MET A 46 5.715 -6.926 -2.746 1.00 0.00 N ATOM 671 CA MET A 46 4.845 -7.303 -1.633 1.00 0.00 C ATOM 672 C MET A 46 3.915 -6.178 -1.186 1.00 0.00 C ATOM 673 O MET A 46 3.144 -6.390 -0.254 1.00 0.00 O ATOM 674 CB MET A 46 5.685 -7.805 -0.449 1.00 0.00 C ATOM 675 CG MET A 46 6.618 -8.958 -0.831 1.00 0.00 C ATOM 676 SD MET A 46 7.145 -9.947 0.589 1.00 0.00 S ATOM 677 CE MET A 46 5.901 -11.252 0.453 1.00 0.00 C ATOM 0 H MET A 46 6.204 -6.043 -2.603 1.00 0.00 H new ATOM 0 HA MET A 46 4.204 -8.106 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.277 -6.980 -0.054 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.020 -8.131 0.350 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.112 -9.604 -1.548 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.498 -8.554 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.049 -11.980 1.250 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.906 -10.816 0.540 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.997 -11.747 -0.513 1.00 0.00 H new ATOM 687 N GLY A 47 3.934 -5.010 -1.829 1.00 0.00 N ATOM 688 CA GLY A 47 3.161 -3.827 -1.435 1.00 0.00 C ATOM 689 C GLY A 47 1.643 -4.018 -1.338 1.00 0.00 C ATOM 690 O GLY A 47 0.948 -3.148 -0.813 1.00 0.00 O ATOM 0 H GLY A 47 4.503 -4.854 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.527 -3.484 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.362 -3.031 -2.152 1.00 0.00 H new ATOM 694 N ASP A 48 1.101 -5.133 -1.830 1.00 0.00 N ATOM 695 CA ASP A 48 -0.310 -5.483 -1.678 1.00 0.00 C ATOM 696 C ASP A 48 -0.609 -6.049 -0.284 1.00 0.00 C ATOM 697 O ASP A 48 -1.733 -5.928 0.207 1.00 0.00 O ATOM 698 CB ASP A 48 -0.728 -6.498 -2.748 1.00 0.00 C ATOM 699 CG ASP A 48 -2.243 -6.763 -2.700 1.00 0.00 C ATOM 700 OD1 ASP A 48 -3.029 -5.854 -3.053 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.653 -7.892 -2.350 1.00 0.00 O ATOM 0 H ASP A 48 1.637 -5.826 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.886 -4.566 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.452 -6.125 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.187 -7.433 -2.598 1.00 0.00 H new ATOM 706 N LYS A 49 0.400 -6.640 0.372 1.00 0.00 N ATOM 707 CA LYS A 49 0.293 -7.310 1.671 1.00 0.00 C ATOM 708 C LYS A 49 1.144 -6.617 2.738 1.00 0.00 C ATOM 709 O LYS A 49 0.896 -6.819 3.927 1.00 0.00 O ATOM 710 CB LYS A 49 0.769 -8.776 1.563 1.00 0.00 C ATOM 711 CG LYS A 49 0.160 -9.629 0.440 1.00 0.00 C ATOM 712 CD LYS A 49 -1.374 -9.659 0.446 1.00 0.00 C ATOM 713 CE LYS A 49 -1.869 -10.630 -0.634 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.235 -10.295 -1.096 1.00 0.00 N ATOM 0 H LYS A 49 1.348 -6.664 -0.004 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.757 -7.266 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.851 -8.772 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.562 -9.270 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.503 -9.245 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.534 -10.649 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.739 -9.970 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.769 -8.660 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.184 -10.609 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.858 -11.646 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.643 -11.111 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.830 -10.057 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.193 -9.481 -1.741 1.00 0.00 H new ATOM 728 N LEU A 50 2.136 -5.820 2.332 1.00 0.00 N ATOM 729 CA LEU A 50 3.170 -5.279 3.199 1.00 0.00 C ATOM 730 C LEU A 50 3.222 -3.762 3.091 1.00 0.00 C ATOM 731 O LEU A 50 3.080 -3.203 2.006 1.00 0.00 O ATOM 732 CB LEU A 50 4.516 -5.869 2.742 1.00 0.00 C ATOM 733 CG LEU A 50 5.752 -5.403 3.529 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.701 -5.898 4.974 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.010 -5.918 2.832 1.00 0.00 C ATOM 0 H LEU A 50 2.239 -5.528 1.360 1.00 0.00 H new ATOM 0 HA LEU A 50 2.958 -5.539 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.456 -6.955 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.662 -5.620 1.691 1.00 0.00 H new ATOM 0 HG LEU A 50 5.767 -4.313 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.587 -5.554 5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.809 -5.506 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.671 -6.988 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.891 -5.592 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.986 -7.007 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.051 -5.523 1.817 1.00 0.00 H new ATOM 747 N LYS A 51 3.516 -3.114 4.214 1.00 0.00 N ATOM 748 CA LYS A 51 3.870 -1.699 4.304 1.00 0.00 C ATOM 749 C LYS A 51 5.302 -1.678 4.831 1.00 0.00 C ATOM 750 O LYS A 51 5.655 -2.531 5.649 1.00 0.00 O ATOM 751 CB LYS A 51 2.895 -0.975 5.252 1.00 0.00 C ATOM 752 CG LYS A 51 3.169 0.538 5.363 1.00 0.00 C ATOM 753 CD LYS A 51 2.461 1.192 6.555 1.00 0.00 C ATOM 754 CE LYS A 51 0.938 1.228 6.390 1.00 0.00 C ATOM 755 NZ LYS A 51 0.306 1.890 7.545 1.00 0.00 N ATOM 0 H LYS A 51 3.514 -3.577 5.123 1.00 0.00 H new ATOM 0 HA LYS A 51 3.803 -1.183 3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.875 -1.128 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.961 -1.424 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.243 0.701 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.847 1.028 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.711 0.647 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.833 2.209 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.679 1.758 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.554 0.213 6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.727 1.890 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.552 1.378 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.646 2.870 7.612 1.00 0.00 H new ATOM 769 N ILE A 52 6.118 -0.721 4.406 1.00 0.00 N ATOM 770 CA ILE A 52 7.472 -0.551 4.925 1.00 0.00 C ATOM 771 C ILE A 52 7.482 0.808 5.621 1.00 0.00 C ATOM 772 O ILE A 52 6.860 1.745 5.125 1.00 0.00 O ATOM 773 CB ILE A 52 8.505 -0.719 3.785 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.425 -2.156 3.210 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.936 -0.389 4.256 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.396 -2.446 2.061 1.00 0.00 C ATOM 0 H ILE A 52 5.861 -0.040 3.692 1.00 0.00 H new ATOM 0 HA ILE A 52 7.761 -1.310 5.652 1.00 0.00 H new ATOM 0 HB ILE A 52 8.260 -0.008 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.616 -2.865 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.408 -2.336 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.631 -0.519 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.976 0.643 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.214 -1.057 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.266 -3.475 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.194 -1.766 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.420 -2.304 2.405 1.00 0.00 H new ATOM 788 N VAL A 53 8.147 0.933 6.771 1.00 0.00 N ATOM 789 CA VAL A 53 8.071 2.144 7.595 1.00 0.00 C ATOM 790 C VAL A 53 9.490 2.546 7.998 1.00 0.00 C ATOM 791 O VAL A 53 10.057 1.989 8.936 1.00 0.00 O ATOM 792 CB VAL A 53 7.108 1.914 8.788 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.091 3.104 9.761 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.662 1.709 8.306 1.00 0.00 C ATOM 0 H VAL A 53 8.749 0.205 7.156 1.00 0.00 H new ATOM 0 HA VAL A 53 7.648 2.982 7.040 1.00 0.00 H new ATOM 0 HB VAL A 53 7.480 1.024 9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.402 2.895 10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.093 3.261 10.161 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.766 4.001 9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.011 1.550 9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.332 2.592 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.617 0.839 7.651 1.00 0.00 H new ATOM 804 N LYS A 54 10.096 3.501 7.289 1.00 0.00 N ATOM 805 CA LYS A 54 11.406 4.016 7.683 1.00 0.00 C ATOM 806 C LYS A 54 11.204 4.910 8.905 1.00 0.00 C ATOM 807 O LYS A 54 10.230 5.669 8.952 1.00 0.00 O ATOM 808 CB LYS A 54 12.087 4.762 6.519 1.00 0.00 C ATOM 809 CG LYS A 54 12.305 3.833 5.310 1.00 0.00 C ATOM 810 CD LYS A 54 13.223 4.425 4.230 1.00 0.00 C ATOM 811 CE LYS A 54 12.613 5.658 3.548 1.00 0.00 C ATOM 812 NZ LYS A 54 13.470 6.168 2.446 1.00 0.00 N ATOM 0 H LYS A 54 9.705 3.928 6.449 1.00 0.00 H new ATOM 0 HA LYS A 54 12.077 3.196 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.474 5.612 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.045 5.161 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.730 2.892 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.338 3.600 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.178 4.698 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.431 3.664 3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.629 5.404 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.467 6.446 4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.021 7.000 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.401 6.435 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.589 5.426 1.727 1.00 0.00 H new ATOM 826 N ILE A 55 12.109 4.849 9.881 1.00 0.00 N ATOM 827 CA ILE A 55 12.045 5.668 11.086 1.00 0.00 C ATOM 828 C ILE A 55 13.473 6.061 11.486 1.00 0.00 C ATOM 829 O ILE A 55 14.368 5.215 11.594 1.00 0.00 O ATOM 830 CB ILE A 55 11.205 4.960 12.181 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.134 5.840 13.447 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.672 3.533 12.519 1.00 0.00 C ATOM 833 CD1 ILE A 55 9.984 5.461 14.387 1.00 0.00 C ATOM 0 H ILE A 55 12.914 4.223 9.855 1.00 0.00 H new ATOM 0 HA ILE A 55 11.513 6.604 10.914 1.00 0.00 H new ATOM 0 HB ILE A 55 10.206 4.836 11.763 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.077 5.762 13.988 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.022 6.883 13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.029 3.114 13.293 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.617 2.911 11.626 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.701 3.562 12.878 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.993 6.119 15.256 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.035 5.566 13.862 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.106 4.428 14.713 1.00 0.00 H new ATOM 845 N ASP A 56 13.683 7.377 11.619 1.00 0.00 N ATOM 846 CA ASP A 56 14.993 7.986 11.834 1.00 0.00 C ATOM 847 C ASP A 56 15.321 7.938 13.321 1.00 0.00 C ATOM 848 O ASP A 56 14.715 8.671 14.108 1.00 0.00 O ATOM 849 CB ASP A 56 15.020 9.432 11.322 1.00 0.00 C ATOM 850 CG ASP A 56 16.376 10.134 11.552 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.328 9.516 12.077 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.482 11.322 11.169 1.00 0.00 O ATOM 0 H ASP A 56 12.926 8.060 11.578 1.00 0.00 H new ATOM 0 HA ASP A 56 15.743 7.428 11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.792 9.437 10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.235 10.001 11.819 1.00 0.00 H new ATOM 857 N VAL A 57 16.241 7.063 13.724 1.00 0.00 N ATOM 858 CA VAL A 57 16.582 6.852 15.125 1.00 0.00 C ATOM 859 C VAL A 57 17.098 8.130 15.790 1.00 0.00 C ATOM 860 O VAL A 57 16.937 8.266 17.003 1.00 0.00 O ATOM 861 CB VAL A 57 17.563 5.669 15.297 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.941 4.372 14.760 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.935 5.880 14.642 1.00 0.00 C ATOM 0 H VAL A 57 16.773 6.477 13.080 1.00 0.00 H new ATOM 0 HA VAL A 57 15.662 6.584 15.644 1.00 0.00 H new ATOM 0 HB VAL A 57 17.739 5.599 16.370 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.645 3.550 14.889 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.024 4.154 15.308 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.711 4.490 13.701 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.558 5.002 14.812 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.807 6.032 13.570 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.415 6.756 15.078 1.00 0.00 H new ATOM 873 N ASP A 58 17.660 9.085 15.041 1.00 0.00 N ATOM 874 CA ASP A 58 18.204 10.321 15.612 1.00 0.00 C ATOM 875 C ASP A 58 17.111 11.193 16.243 1.00 0.00 C ATOM 876 O ASP A 58 17.401 12.034 17.093 1.00 0.00 O ATOM 877 CB ASP A 58 18.963 11.118 14.544 1.00 0.00 C ATOM 878 CG ASP A 58 19.647 12.357 15.147 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.590 12.199 15.955 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.287 13.496 14.775 1.00 0.00 O ATOM 0 H ASP A 58 17.750 9.023 14.027 1.00 0.00 H new ATOM 0 HA ASP A 58 18.895 10.033 16.404 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.712 10.479 14.075 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.272 11.428 13.760 1.00 0.00 H new ATOM 885 N GLU A 59 15.846 10.954 15.879 1.00 0.00 N ATOM 886 CA GLU A 59 14.675 11.653 16.405 1.00 0.00 C ATOM 887 C GLU A 59 13.725 10.676 17.115 1.00 0.00 C ATOM 888 O GLU A 59 12.638 11.070 17.543 1.00 0.00 O ATOM 889 CB GLU A 59 13.958 12.379 15.255 1.00 0.00 C ATOM 890 CG GLU A 59 14.814 13.481 14.612 1.00 0.00 C ATOM 891 CD GLU A 59 13.982 14.359 13.660 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.739 13.962 12.498 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.569 15.473 14.061 1.00 0.00 O ATOM 0 H GLU A 59 15.605 10.245 15.187 1.00 0.00 H new ATOM 0 HA GLU A 59 14.999 12.387 17.143 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.679 11.652 14.492 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.034 12.818 15.630 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.253 14.103 15.392 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.639 13.028 14.063 1.00 0.00 H new ATOM 900 N ASN A 60 14.111 9.399 17.242 1.00 0.00 N ATOM 901 CA ASN A 60 13.239 8.312 17.696 1.00 0.00 C ATOM 902 C ASN A 60 14.010 7.368 18.613 1.00 0.00 C ATOM 903 O ASN A 60 13.841 6.148 18.561 1.00 0.00 O ATOM 904 CB ASN A 60 12.609 7.583 16.496 1.00 0.00 C ATOM 905 CG ASN A 60 11.602 8.468 15.779 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.477 8.648 16.237 1.00 0.00 O ATOM 907 ND2 ASN A 60 11.985 9.037 14.649 1.00 0.00 N ATOM 0 H ASN A 60 15.058 9.089 17.027 1.00 0.00 H new ATOM 0 HA ASN A 60 12.417 8.730 18.277 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.391 7.281 15.800 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.117 6.672 16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.341 9.640 14.138 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.925 8.873 14.288 1.00 0.00 H new ATOM 914 N GLN A 61 14.873 7.938 19.461 1.00 0.00 N ATOM 915 CA GLN A 61 15.608 7.193 20.476 1.00 0.00 C ATOM 916 C GLN A 61 14.649 6.423 21.388 1.00 0.00 C ATOM 917 O GLN A 61 14.982 5.323 21.826 1.00 0.00 O ATOM 918 CB GLN A 61 16.491 8.144 21.302 1.00 0.00 C ATOM 919 CG GLN A 61 17.665 8.724 20.498 1.00 0.00 C ATOM 920 CD GLN A 61 18.700 7.657 20.139 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.511 7.246 20.965 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.687 7.174 18.909 1.00 0.00 N ATOM 0 H GLN A 61 15.079 8.937 19.458 1.00 0.00 H new ATOM 0 HA GLN A 61 16.250 6.470 19.972 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.878 8.962 21.681 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.880 7.609 22.168 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.287 9.183 19.585 1.00 0.00 H new ATOM 0 HG3 GLN A 61 18.145 9.514 21.076 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.009 7.523 18.231 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.355 6.453 18.637 1.00 0.00 H new ATOM 931 N GLU A 62 13.454 6.963 21.652 1.00 0.00 N ATOM 932 CA GLU A 62 12.452 6.299 22.473 1.00 0.00 C ATOM 933 C GLU A 62 11.943 5.037 21.772 1.00 0.00 C ATOM 934 O GLU A 62 11.917 3.974 22.386 1.00 0.00 O ATOM 935 CB GLU A 62 11.294 7.257 22.795 1.00 0.00 C ATOM 936 CG GLU A 62 11.743 8.420 23.693 1.00 0.00 C ATOM 937 CD GLU A 62 10.563 9.330 24.078 1.00 0.00 C ATOM 938 OE1 GLU A 62 9.903 9.076 25.112 1.00 0.00 O ATOM 939 OE2 GLU A 62 10.298 10.328 23.369 1.00 0.00 O ATOM 0 H GLU A 62 13.160 7.874 21.299 1.00 0.00 H new ATOM 0 HA GLU A 62 12.913 6.003 23.415 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.882 7.653 21.867 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.494 6.706 23.289 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.207 8.024 24.596 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.502 9.007 23.176 1.00 0.00 H new ATOM 946 N THR A 63 11.585 5.118 20.489 1.00 0.00 N ATOM 947 CA THR A 63 11.072 3.983 19.730 1.00 0.00 C ATOM 948 C THR A 63 12.166 2.922 19.570 1.00 0.00 C ATOM 949 O THR A 63 11.904 1.735 19.726 1.00 0.00 O ATOM 950 CB THR A 63 10.571 4.456 18.358 1.00 0.00 C ATOM 951 OG1 THR A 63 10.150 5.806 18.406 1.00 0.00 O ATOM 952 CG2 THR A 63 9.418 3.601 17.824 1.00 0.00 C ATOM 0 H THR A 63 11.644 5.980 19.947 1.00 0.00 H new ATOM 0 HA THR A 63 10.236 3.538 20.270 1.00 0.00 H new ATOM 0 HB THR A 63 11.419 4.353 17.680 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.837 6.083 17.519 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.104 3.980 16.852 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.749 2.568 17.721 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.580 3.646 18.519 1.00 0.00 H new ATOM 960 N ALA A 64 13.406 3.337 19.309 1.00 0.00 N ATOM 961 CA ALA A 64 14.554 2.445 19.258 1.00 0.00 C ATOM 962 C ALA A 64 14.728 1.733 20.604 1.00 0.00 C ATOM 963 O ALA A 64 14.782 0.502 20.653 1.00 0.00 O ATOM 964 CB ALA A 64 15.796 3.259 18.867 1.00 0.00 C ATOM 0 H ALA A 64 13.639 4.313 19.126 1.00 0.00 H new ATOM 0 HA ALA A 64 14.402 1.670 18.506 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.664 2.601 18.825 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.639 3.715 17.890 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.968 4.040 19.608 1.00 0.00 H new ATOM 970 N GLY A 65 14.733 2.490 21.705 1.00 0.00 N ATOM 971 CA GLY A 65 14.845 1.957 23.057 1.00 0.00 C ATOM 972 C GLY A 65 13.698 1.007 23.404 1.00 0.00 C ATOM 973 O GLY A 65 13.898 0.060 24.165 1.00 0.00 O ATOM 0 H GLY A 65 14.658 3.507 21.676 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.794 1.430 23.160 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.859 2.781 23.770 1.00 0.00 H new ATOM 977 N LYS A 66 12.523 1.201 22.793 1.00 0.00 N ATOM 978 CA LYS A 66 11.329 0.377 22.966 1.00 0.00 C ATOM 979 C LYS A 66 11.609 -1.101 22.681 1.00 0.00 C ATOM 980 O LYS A 66 10.987 -1.959 23.308 1.00 0.00 O ATOM 981 CB LYS A 66 10.202 0.926 22.083 1.00 0.00 C ATOM 982 CG LYS A 66 8.858 0.749 22.801 1.00 0.00 C ATOM 983 CD LYS A 66 7.696 1.375 22.035 1.00 0.00 C ATOM 984 CE LYS A 66 7.773 2.912 21.970 1.00 0.00 C ATOM 985 NZ LYS A 66 6.638 3.508 21.223 1.00 0.00 N ATOM 0 H LYS A 66 12.376 1.969 22.138 1.00 0.00 H new ATOM 0 HA LYS A 66 11.015 0.428 24.009 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.375 1.980 21.867 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.187 0.403 21.127 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.664 -0.314 22.943 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.918 1.198 23.793 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.679 0.975 21.021 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.758 1.084 22.508 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.788 3.315 22.983 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.710 3.206 21.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.898 4.462 20.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.413 2.913 20.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.806 3.568 21.845 1.00 0.00 H new ATOM 999 N TYR A 67 12.570 -1.396 21.795 1.00 0.00 N ATOM 1000 CA TYR A 67 12.964 -2.763 21.443 1.00 0.00 C ATOM 1001 C TYR A 67 14.468 -2.997 21.666 1.00 0.00 C ATOM 1002 O TYR A 67 15.008 -4.013 21.221 1.00 0.00 O ATOM 1003 CB TYR A 67 12.552 -3.079 19.994 1.00 0.00 C ATOM 1004 CG TYR A 67 11.308 -2.362 19.515 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.033 -2.738 19.982 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.447 -1.236 18.685 1.00 0.00 C ATOM 1007 CE1 TYR A 67 8.901 -1.985 19.625 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.325 -0.473 18.339 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.043 -0.840 18.806 1.00 0.00 C ATOM 1010 OH TYR A 67 7.964 -0.069 18.495 1.00 0.00 O ATOM 0 H TYR A 67 13.101 -0.681 21.297 1.00 0.00 H new ATOM 0 HA TYR A 67 12.438 -3.449 22.106 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.379 -2.822 19.332 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.392 -4.153 19.903 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.925 -3.606 20.615 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.422 -0.959 18.313 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.923 -2.280 19.976 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.440 0.399 17.713 1.00 0.00 H new ATOM 0 HH TYR A 67 8.022 0.212 17.558 1.00 0.00 H new ATOM 1020 N GLY A 68 15.160 -2.068 22.336 1.00 0.00 N ATOM 1021 CA GLY A 68 16.597 -2.142 22.581 1.00 0.00 C ATOM 1022 C GLY A 68 17.435 -2.008 21.305 1.00 0.00 C ATOM 1023 O GLY A 68 18.563 -2.504 21.269 1.00 0.00 O ATOM 0 H GLY A 68 14.726 -1.232 22.728 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.881 -1.354 23.279 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.829 -3.092 23.062 1.00 0.00 H new ATOM 1027 N VAL A 69 16.907 -1.372 20.254 1.00 0.00 N ATOM 1028 CA VAL A 69 17.672 -1.032 19.057 1.00 0.00 C ATOM 1029 C VAL A 69 18.764 -0.043 19.484 1.00 0.00 C ATOM 1030 O VAL A 69 18.475 0.956 20.150 1.00 0.00 O ATOM 1031 CB VAL A 69 16.742 -0.446 17.966 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.508 -0.138 16.673 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.560 -1.373 17.641 1.00 0.00 C ATOM 0 H VAL A 69 15.931 -1.078 20.213 1.00 0.00 H new ATOM 0 HA VAL A 69 18.133 -1.916 18.617 1.00 0.00 H new ATOM 0 HB VAL A 69 16.349 0.482 18.382 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.821 0.271 15.932 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.294 0.588 16.880 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.954 -1.055 16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.940 -0.915 16.871 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.937 -2.331 17.282 1.00 0.00 H new ATOM 0 HG23 VAL A 69 14.964 -1.532 18.540 1.00 0.00 H new ATOM 1043 N MET A 70 20.013 -0.319 19.101 1.00 0.00 N ATOM 1044 CA MET A 70 21.178 0.513 19.421 1.00 0.00 C ATOM 1045 C MET A 70 22.173 0.559 18.244 1.00 0.00 C ATOM 1046 O MET A 70 23.239 1.168 18.346 1.00 0.00 O ATOM 1047 CB MET A 70 21.820 -0.033 20.708 1.00 0.00 C ATOM 1048 CG MET A 70 22.645 1.023 21.459 1.00 0.00 C ATOM 1049 SD MET A 70 23.390 0.459 23.017 1.00 0.00 S ATOM 1050 CE MET A 70 21.913 0.274 24.058 1.00 0.00 C ATOM 0 H MET A 70 20.249 -1.143 18.549 1.00 0.00 H new ATOM 0 HA MET A 70 20.868 1.544 19.588 1.00 0.00 H new ATOM 0 HB2 MET A 70 21.038 -0.411 21.366 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.462 -0.878 20.458 1.00 0.00 H new ATOM 0 HG2 MET A 70 23.440 1.375 20.801 1.00 0.00 H new ATOM 0 HG3 MET A 70 22.004 1.879 21.670 1.00 0.00 H new ATOM 0 HE1 MET A 70 22.215 0.054 25.082 1.00 0.00 H new ATOM 0 HE2 MET A 70 21.337 1.199 24.041 1.00 0.00 H new ATOM 0 HE3 MET A 70 21.299 -0.542 23.677 1.00 0.00 H new ATOM 1060 N SER A 71 21.810 -0.058 17.117 1.00 0.00 N ATOM 1061 CA SER A 71 22.570 -0.125 15.880 1.00 0.00 C ATOM 1062 C SER A 71 21.575 -0.031 14.722 1.00 0.00 C ATOM 1063 O SER A 71 20.380 -0.277 14.916 1.00 0.00 O ATOM 1064 CB SER A 71 23.357 -1.446 15.815 1.00 0.00 C ATOM 1065 OG SER A 71 24.186 -1.626 16.957 1.00 0.00 O ATOM 0 H SER A 71 20.921 -0.553 17.046 1.00 0.00 H new ATOM 0 HA SER A 71 23.290 0.691 15.824 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.660 -2.280 15.737 1.00 0.00 H new ATOM 0 HB3 SER A 71 23.971 -1.459 14.915 1.00 0.00 H new ATOM 0 HG SER A 71 24.668 -2.476 16.881 1.00 0.00 H new ATOM 1071 N ILE A 72 22.053 0.303 13.522 1.00 0.00 N ATOM 1072 CA ILE A 72 21.246 0.415 12.310 1.00 0.00 C ATOM 1073 C ILE A 72 22.070 -0.102 11.110 1.00 0.00 C ATOM 1074 O ILE A 72 23.303 -0.079 11.192 1.00 0.00 O ATOM 1075 CB ILE A 72 20.749 1.867 12.103 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.898 2.898 12.014 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.734 2.266 13.192 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.427 4.283 11.563 1.00 0.00 C ATOM 0 H ILE A 72 23.040 0.508 13.364 1.00 0.00 H new ATOM 0 HA ILE A 72 20.351 -0.200 12.404 1.00 0.00 H new ATOM 0 HB ILE A 72 20.248 1.882 11.135 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.378 2.983 12.989 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.653 2.533 11.318 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.402 3.290 13.022 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.876 1.595 13.153 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.205 2.195 14.172 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.279 4.961 11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.972 4.209 10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.693 4.667 12.272 1.00 0.00 H new ATOM 1090 N PRO A 73 21.451 -0.550 9.999 1.00 0.00 N ATOM 1091 CA PRO A 73 20.013 -0.720 9.816 1.00 0.00 C ATOM 1092 C PRO A 73 19.494 -1.835 10.724 1.00 0.00 C ATOM 1093 O PRO A 73 20.132 -2.884 10.853 1.00 0.00 O ATOM 1094 CB PRO A 73 19.819 -1.076 8.336 1.00 0.00 C ATOM 1095 CG PRO A 73 21.140 -1.735 7.943 1.00 0.00 C ATOM 1096 CD PRO A 73 22.164 -1.015 8.818 1.00 0.00 C ATOM 0 HA PRO A 73 19.459 0.181 10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.977 -1.753 8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.620 -0.189 7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.128 -2.808 8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.355 -1.605 6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 73 22.976 -1.687 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.611 -0.178 8.282 1.00 0.00 H new ATOM 1104 N THR A 74 18.327 -1.614 11.320 1.00 0.00 N ATOM 1105 CA THR A 74 17.648 -2.617 12.125 1.00 0.00 C ATOM 1106 C THR A 74 16.201 -2.665 11.652 1.00 0.00 C ATOM 1107 O THR A 74 15.600 -1.636 11.343 1.00 0.00 O ATOM 1108 CB THR A 74 17.822 -2.297 13.620 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.181 -2.466 13.966 1.00 0.00 O ATOM 1110 CG2 THR A 74 16.996 -3.218 14.522 1.00 0.00 C ATOM 0 H THR A 74 17.825 -0.728 11.256 1.00 0.00 H new ATOM 0 HA THR A 74 18.074 -3.613 12.001 1.00 0.00 H new ATOM 0 HB THR A 74 17.481 -1.273 13.772 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.502 -1.666 14.433 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.158 -2.946 15.565 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.939 -3.112 14.279 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.303 -4.252 14.365 1.00 0.00 H new ATOM 1118 N LEU A 75 15.654 -3.871 11.554 1.00 0.00 N ATOM 1119 CA LEU A 75 14.380 -4.144 10.926 1.00 0.00 C ATOM 1120 C LEU A 75 13.488 -4.755 11.991 1.00 0.00 C ATOM 1121 O LEU A 75 13.895 -5.719 12.645 1.00 0.00 O ATOM 1122 CB LEU A 75 14.551 -5.110 9.741 1.00 0.00 C ATOM 1123 CG LEU A 75 15.521 -4.647 8.635 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.606 -5.729 7.554 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.127 -3.310 7.997 1.00 0.00 C ATOM 0 H LEU A 75 16.105 -4.708 11.923 1.00 0.00 H new ATOM 0 HA LEU A 75 13.941 -3.229 10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.898 -6.069 10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.573 -5.282 9.292 1.00 0.00 H new ATOM 0 HG LEU A 75 16.491 -4.490 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.291 -5.407 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.971 -6.656 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.617 -5.895 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.853 -3.046 7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.138 -3.399 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.109 -2.533 8.761 1.00 0.00 H new ATOM 1137 N LEU A 76 12.286 -4.215 12.166 1.00 0.00 N ATOM 1138 CA LEU A 76 11.301 -4.727 13.114 1.00 0.00 C ATOM 1139 C LEU A 76 10.132 -5.138 12.241 1.00 0.00 C ATOM 1140 O LEU A 76 9.634 -4.325 11.462 1.00 0.00 O ATOM 1141 CB LEU A 76 10.879 -3.650 14.141 1.00 0.00 C ATOM 1142 CG LEU A 76 11.776 -3.435 15.382 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.647 -4.608 16.357 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.249 -3.224 15.031 1.00 0.00 C ATOM 0 H LEU A 76 11.964 -3.398 11.647 1.00 0.00 H new ATOM 0 HA LEU A 76 11.693 -5.551 13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.805 -2.698 13.615 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.878 -3.899 14.493 1.00 0.00 H new ATOM 0 HG LEU A 76 11.419 -2.519 15.854 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.287 -4.434 17.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.611 -4.697 16.684 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.951 -5.529 15.860 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.824 -3.079 15.946 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.626 -4.099 14.501 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.349 -2.344 14.396 1.00 0.00 H new ATOM 1156 N VAL A 77 9.705 -6.389 12.340 1.00 0.00 N ATOM 1157 CA VAL A 77 8.514 -6.861 11.657 1.00 0.00 C ATOM 1158 C VAL A 77 7.424 -6.762 12.704 1.00 0.00 C ATOM 1159 O VAL A 77 7.544 -7.359 13.782 1.00 0.00 O ATOM 1160 CB VAL A 77 8.662 -8.306 11.151 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.492 -8.674 10.224 1.00 0.00 C ATOM 1162 CG2 VAL A 77 9.974 -8.549 10.396 1.00 0.00 C ATOM 0 H VAL A 77 10.176 -7.103 12.896 1.00 0.00 H new ATOM 0 HA VAL A 77 8.303 -6.272 10.764 1.00 0.00 H new ATOM 0 HB VAL A 77 8.664 -8.935 12.041 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.613 -9.700 9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.553 -8.585 10.770 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.480 -7.999 9.368 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.017 -9.587 10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.022 -7.890 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.817 -8.343 11.056 1.00 0.00 H new ATOM 1172 N LEU A 78 6.373 -6.015 12.392 1.00 0.00 N ATOM 1173 CA LEU A 78 5.202 -5.887 13.225 1.00 0.00 C ATOM 1174 C LEU A 78 4.033 -6.470 12.445 1.00 0.00 C ATOM 1175 O LEU A 78 4.027 -6.456 11.212 1.00 0.00 O ATOM 1176 CB LEU A 78 4.943 -4.421 13.629 1.00 0.00 C ATOM 1177 CG LEU A 78 6.063 -3.818 14.507 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.107 -3.055 13.683 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.501 -2.893 15.593 1.00 0.00 C ATOM 0 H LEU A 78 6.318 -5.472 11.531 1.00 0.00 H new ATOM 0 HA LEU A 78 5.343 -6.428 14.161 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.834 -3.818 12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.998 -4.362 14.168 1.00 0.00 H new ATOM 0 HG LEU A 78 6.554 -4.668 14.982 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.871 -2.652 14.348 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.571 -3.733 12.966 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.622 -2.238 13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.321 -2.490 16.188 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.955 -2.074 15.126 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.827 -3.457 16.238 1.00 0.00 H new ATOM 1191 N LYS A 79 3.034 -6.969 13.162 1.00 0.00 N ATOM 1192 CA LYS A 79 1.786 -7.429 12.578 1.00 0.00 C ATOM 1193 C LYS A 79 0.676 -6.872 13.444 1.00 0.00 C ATOM 1194 O LYS A 79 0.648 -7.138 14.645 1.00 0.00 O ATOM 1195 CB LYS A 79 1.763 -8.964 12.505 1.00 0.00 C ATOM 1196 CG LYS A 79 0.525 -9.497 11.765 1.00 0.00 C ATOM 1197 CD LYS A 79 0.505 -11.034 11.791 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.719 -11.637 11.083 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.669 -11.490 9.606 1.00 0.00 N ATOM 0 H LYS A 79 3.071 -7.066 14.177 1.00 0.00 H new ATOM 0 HA LYS A 79 1.663 -7.081 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.663 -9.315 12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.784 -9.373 13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.380 -9.107 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.530 -9.145 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.412 -11.411 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.521 -11.373 12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.792 -12.695 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.622 -11.157 11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.520 -11.915 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.628 -10.481 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.176 -11.971 9.238 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.221 -6.099 12.833 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.419 -5.542 13.468 1.00 0.00 C ATOM 1215 C ASP A 80 -1.104 -4.866 14.819 1.00 0.00 C ATOM 1216 O ASP A 80 -1.866 -4.959 15.785 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.513 -6.621 13.546 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.866 -6.065 14.026 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.304 -5.003 13.528 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.533 -6.723 14.858 1.00 0.00 O ATOM 0 H ASP A 80 -0.133 -5.834 11.852 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.809 -4.734 12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.640 -7.075 12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.189 -7.412 14.223 1.00 0.00 H new ATOM 1225 N GLY A 81 0.052 -4.199 14.893 1.00 0.00 N ATOM 1226 CA GLY A 81 0.415 -3.323 16.000 1.00 0.00 C ATOM 1227 C GLY A 81 1.337 -3.945 17.050 1.00 0.00 C ATOM 1228 O GLY A 81 1.661 -3.253 18.017 1.00 0.00 O ATOM 0 H GLY A 81 0.770 -4.257 14.171 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.900 -2.435 15.595 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.498 -2.991 16.493 1.00 0.00 H new ATOM 1232 N GLU A 82 1.789 -5.197 16.896 1.00 0.00 N ATOM 1233 CA GLU A 82 2.747 -5.822 17.812 1.00 0.00 C ATOM 1234 C GLU A 82 3.980 -6.261 17.030 1.00 0.00 C ATOM 1235 O GLU A 82 3.851 -6.669 15.876 1.00 0.00 O ATOM 1236 CB GLU A 82 2.081 -6.986 18.572 1.00 0.00 C ATOM 1237 CG GLU A 82 1.988 -8.327 17.820 1.00 0.00 C ATOM 1238 CD GLU A 82 1.211 -9.373 18.639 1.00 0.00 C ATOM 1239 OE1 GLU A 82 1.819 -10.067 19.486 1.00 0.00 O ATOM 1240 OE2 GLU A 82 -0.017 -9.522 18.446 1.00 0.00 O ATOM 0 H GLU A 82 1.498 -5.805 16.130 1.00 0.00 H new ATOM 0 HA GLU A 82 3.070 -5.103 18.564 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.633 -7.150 19.498 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.073 -6.680 18.852 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.496 -8.175 16.860 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.991 -8.699 17.609 1.00 0.00 H new ATOM 1247 N VAL A 83 5.170 -6.190 17.635 1.00 0.00 N ATOM 1248 CA VAL A 83 6.373 -6.777 17.054 1.00 0.00 C ATOM 1249 C VAL A 83 6.179 -8.289 17.034 1.00 0.00 C ATOM 1250 O VAL A 83 5.837 -8.898 18.052 1.00 0.00 O ATOM 1251 CB VAL A 83 7.642 -6.371 17.833 1.00 0.00 C ATOM 1252 CG1 VAL A 83 8.906 -6.979 17.202 1.00 0.00 C ATOM 1253 CG2 VAL A 83 7.822 -4.846 17.870 1.00 0.00 C ATOM 0 H VAL A 83 5.322 -5.728 18.532 1.00 0.00 H new ATOM 0 HA VAL A 83 6.521 -6.405 16.040 1.00 0.00 H new ATOM 0 HB VAL A 83 7.509 -6.751 18.846 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.782 -6.673 17.775 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.829 -8.066 17.209 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.004 -6.629 16.174 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.726 -4.600 18.427 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.908 -4.465 16.852 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.960 -4.390 18.357 1.00 0.00 H new ATOM 1263 N VAL A 84 6.446 -8.879 15.875 1.00 0.00 N ATOM 1264 CA VAL A 84 6.424 -10.312 15.665 1.00 0.00 C ATOM 1265 C VAL A 84 7.801 -10.833 15.220 1.00 0.00 C ATOM 1266 O VAL A 84 8.063 -12.016 15.437 1.00 0.00 O ATOM 1267 CB VAL A 84 5.268 -10.687 14.717 1.00 0.00 C ATOM 1268 CG1 VAL A 84 3.899 -10.327 15.313 1.00 0.00 C ATOM 1269 CG2 VAL A 84 5.392 -10.044 13.326 1.00 0.00 C ATOM 0 H VAL A 84 6.690 -8.354 15.035 1.00 0.00 H new ATOM 0 HA VAL A 84 6.224 -10.818 16.609 1.00 0.00 H new ATOM 0 HB VAL A 84 5.341 -11.768 14.598 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.112 -10.608 14.613 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.758 -10.863 16.251 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.854 -9.254 15.498 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.547 -10.348 12.708 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.396 -8.959 13.426 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.321 -10.369 12.857 1.00 0.00 H new ATOM 1279 N GLU A 85 8.715 -9.990 14.703 1.00 0.00 N ATOM 1280 CA GLU A 85 10.092 -10.420 14.399 1.00 0.00 C ATOM 1281 C GLU A 85 11.062 -9.230 14.418 1.00 0.00 C ATOM 1282 O GLU A 85 10.634 -8.075 14.406 1.00 0.00 O ATOM 1283 CB GLU A 85 10.158 -11.142 13.030 1.00 0.00 C ATOM 1284 CG GLU A 85 10.469 -12.645 13.108 1.00 0.00 C ATOM 1285 CD GLU A 85 11.908 -13.000 13.508 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.471 -12.378 14.435 1.00 0.00 O ATOM 1287 OE2 GLU A 85 12.449 -13.965 12.920 1.00 0.00 O ATOM 0 H GLU A 85 8.525 -9.011 14.488 1.00 0.00 H new ATOM 0 HA GLU A 85 10.395 -11.122 15.176 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.205 -11.009 12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.919 -10.659 12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.787 -13.103 13.825 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.259 -13.093 12.137 1.00 0.00 H new ATOM 1294 N THR A 86 12.366 -9.514 14.405 1.00 0.00 N ATOM 1295 CA THR A 86 13.453 -8.537 14.373 1.00 0.00 C ATOM 1296 C THR A 86 14.575 -9.076 13.465 1.00 0.00 C ATOM 1297 O THR A 86 14.746 -10.290 13.334 1.00 0.00 O ATOM 1298 CB THR A 86 13.972 -8.304 15.809 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.915 -8.077 16.728 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.928 -7.108 15.918 1.00 0.00 C ATOM 0 H THR A 86 12.707 -10.475 14.417 1.00 0.00 H new ATOM 0 HA THR A 86 13.101 -7.585 13.975 1.00 0.00 H new ATOM 0 HB THR A 86 14.506 -9.222 16.055 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.285 -7.936 17.624 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.257 -6.998 16.951 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.794 -7.275 15.278 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.413 -6.201 15.602 1.00 0.00 H new ATOM 1308 N SER A 87 15.349 -8.197 12.826 1.00 0.00 N ATOM 1309 CA SER A 87 16.585 -8.515 12.112 1.00 0.00 C ATOM 1310 C SER A 87 17.515 -7.296 12.178 1.00 0.00 C ATOM 1311 O SER A 87 17.048 -6.174 12.367 1.00 0.00 O ATOM 1312 CB SER A 87 16.257 -8.899 10.664 1.00 0.00 C ATOM 1313 OG SER A 87 15.589 -10.148 10.631 1.00 0.00 O ATOM 0 H SER A 87 15.122 -7.203 12.791 1.00 0.00 H new ATOM 0 HA SER A 87 17.090 -9.364 12.573 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.632 -8.131 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.174 -8.953 10.077 1.00 0.00 H new ATOM 0 HG SER A 87 15.313 -10.395 11.538 1.00 0.00 H new ATOM 1319 N VAL A 88 18.827 -7.495 12.036 1.00 0.00 N ATOM 1320 CA VAL A 88 19.831 -6.432 12.114 1.00 0.00 C ATOM 1321 C VAL A 88 20.790 -6.610 10.932 1.00 0.00 C ATOM 1322 O VAL A 88 21.096 -7.744 10.545 1.00 0.00 O ATOM 1323 CB VAL A 88 20.558 -6.487 13.480 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.549 -5.326 13.655 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.583 -6.460 14.670 1.00 0.00 C ATOM 0 H VAL A 88 19.229 -8.416 11.860 1.00 0.00 H new ATOM 0 HA VAL A 88 19.371 -5.446 12.049 1.00 0.00 H new ATOM 0 HB VAL A 88 21.095 -7.435 13.474 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.035 -5.406 14.627 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.302 -5.369 12.868 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.014 -4.378 13.594 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.146 -6.501 15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 88 18.997 -5.541 14.640 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.914 -7.319 14.612 1.00 0.00 H new ATOM 1335 N GLY A 89 21.279 -5.501 10.374 1.00 0.00 N ATOM 1336 CA GLY A 89 22.214 -5.503 9.258 1.00 0.00 C ATOM 1337 C GLY A 89 21.510 -5.773 7.927 1.00 0.00 C ATOM 1338 O GLY A 89 20.280 -5.851 7.852 1.00 0.00 O ATOM 0 H GLY A 89 21.030 -4.565 10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.725 -4.541 9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.978 -6.262 9.425 1.00 0.00 H new ATOM 1342 N PHE A 90 22.305 -5.878 6.859 1.00 0.00 N ATOM 1343 CA PHE A 90 21.813 -6.176 5.519 1.00 0.00 C ATOM 1344 C PHE A 90 21.151 -7.563 5.487 1.00 0.00 C ATOM 1345 O PHE A 90 21.608 -8.493 6.158 1.00 0.00 O ATOM 1346 CB PHE A 90 22.981 -6.100 4.521 1.00 0.00 C ATOM 1347 CG PHE A 90 22.580 -6.308 3.071 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.571 -7.602 2.513 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.199 -5.206 2.278 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.164 -7.796 1.181 1.00 0.00 C ATOM 1351 CE2 PHE A 90 21.796 -5.401 0.945 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.773 -6.696 0.398 1.00 0.00 C ATOM 0 H PHE A 90 23.317 -5.757 6.905 1.00 0.00 H new ATOM 0 HA PHE A 90 21.059 -5.442 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.462 -5.127 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.724 -6.851 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.878 -8.448 3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.217 -4.210 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.152 -8.790 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.504 -4.555 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.455 -6.846 -0.623 1.00 0.00 H new ATOM 1362 N LYS A 91 20.122 -7.719 4.648 1.00 0.00 N ATOM 1363 CA LYS A 91 19.505 -8.995 4.286 1.00 0.00 C ATOM 1364 C LYS A 91 19.147 -8.900 2.802 1.00 0.00 C ATOM 1365 O LYS A 91 18.664 -7.843 2.386 1.00 0.00 O ATOM 1366 CB LYS A 91 18.253 -9.290 5.131 1.00 0.00 C ATOM 1367 CG LYS A 91 18.608 -10.204 6.312 1.00 0.00 C ATOM 1368 CD LYS A 91 17.360 -10.662 7.068 1.00 0.00 C ATOM 1369 CE LYS A 91 17.769 -11.659 8.163 1.00 0.00 C ATOM 1370 NZ LYS A 91 16.610 -12.186 8.925 1.00 0.00 N ATOM 0 H LYS A 91 19.679 -6.926 4.184 1.00 0.00 H new ATOM 0 HA LYS A 91 20.196 -9.816 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.827 -8.357 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.492 -9.764 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 91 19.153 -11.075 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.273 -9.675 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.854 -9.804 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.654 -11.128 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.307 -12.491 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.459 -11.172 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.910 -13.005 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.243 -11.445 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.863 -12.478 8.263 1.00 0.00 H new ATOM 1384 N PRO A 92 19.376 -9.956 2.003 1.00 0.00 N ATOM 1385 CA PRO A 92 19.012 -9.954 0.595 1.00 0.00 C ATOM 1386 C PRO A 92 17.493 -9.962 0.421 1.00 0.00 C ATOM 1387 O PRO A 92 16.733 -10.297 1.332 1.00 0.00 O ATOM 1388 CB PRO A 92 19.666 -11.202 -0.012 1.00 0.00 C ATOM 1389 CG PRO A 92 19.805 -12.152 1.174 1.00 0.00 C ATOM 1390 CD PRO A 92 20.028 -11.210 2.358 1.00 0.00 C ATOM 0 HA PRO A 92 19.360 -9.053 0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 92 19.049 -11.634 -0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.635 -10.971 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.911 -12.761 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.642 -12.838 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.603 -11.625 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 92 21.092 -11.058 2.541 1.00 0.00 H new ATOM 1398 N LYS A 93 17.059 -9.651 -0.799 1.00 0.00 N ATOM 1399 CA LYS A 93 15.658 -9.566 -1.206 1.00 0.00 C ATOM 1400 C LYS A 93 14.874 -10.834 -0.885 1.00 0.00 C ATOM 1401 O LYS A 93 13.737 -10.779 -0.416 1.00 0.00 O ATOM 1402 CB LYS A 93 15.672 -9.284 -2.712 1.00 0.00 C ATOM 1403 CG LYS A 93 14.277 -8.996 -3.259 1.00 0.00 C ATOM 1404 CD LYS A 93 14.366 -8.310 -4.619 1.00 0.00 C ATOM 1405 CE LYS A 93 14.979 -9.197 -5.713 1.00 0.00 C ATOM 1406 NZ LYS A 93 14.903 -8.555 -7.047 1.00 0.00 N ATOM 0 H LYS A 93 17.702 -9.443 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 93 15.150 -8.776 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.322 -8.433 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.096 -10.141 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.717 -9.927 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.730 -8.362 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.367 -8.003 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.962 -7.403 -4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.020 -9.408 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.458 -10.154 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.633 -8.958 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.964 -8.724 -7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.059 -7.531 -6.949 1.00 0.00 H new ATOM 1420 N GLU A 94 15.475 -11.982 -1.170 1.00 0.00 N ATOM 1421 CA GLU A 94 14.876 -13.281 -0.882 1.00 0.00 C ATOM 1422 C GLU A 94 14.694 -13.483 0.630 1.00 0.00 C ATOM 1423 O GLU A 94 13.621 -13.896 1.067 1.00 0.00 O ATOM 1424 CB GLU A 94 15.680 -14.411 -1.553 1.00 0.00 C ATOM 1425 CG GLU A 94 17.141 -14.547 -1.096 1.00 0.00 C ATOM 1426 CD GLU A 94 17.892 -15.606 -1.922 1.00 0.00 C ATOM 1427 OE1 GLU A 94 17.869 -16.804 -1.557 1.00 0.00 O ATOM 1428 OE2 GLU A 94 18.530 -15.252 -2.940 1.00 0.00 O ATOM 0 H GLU A 94 16.394 -12.040 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 94 13.876 -13.312 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.170 -15.356 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.669 -14.250 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.645 -13.585 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.170 -14.819 -0.041 1.00 0.00 H new ATOM 1435 N ALA A 95 15.697 -13.129 1.443 1.00 0.00 N ATOM 1436 CA ALA A 95 15.624 -13.285 2.894 1.00 0.00 C ATOM 1437 C ALA A 95 14.568 -12.351 3.482 1.00 0.00 C ATOM 1438 O ALA A 95 13.838 -12.735 4.395 1.00 0.00 O ATOM 1439 CB ALA A 95 16.988 -13.021 3.540 1.00 0.00 C ATOM 0 H ALA A 95 16.575 -12.729 1.112 1.00 0.00 H new ATOM 0 HA ALA A 95 15.336 -14.314 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.909 -13.143 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.719 -13.728 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.308 -12.004 3.312 1.00 0.00 H new ATOM 1445 N LEU A 96 14.468 -11.134 2.947 1.00 0.00 N ATOM 1446 CA LEU A 96 13.458 -10.166 3.339 1.00 0.00 C ATOM 1447 C LEU A 96 12.060 -10.693 3.039 1.00 0.00 C ATOM 1448 O LEU A 96 11.189 -10.629 3.903 1.00 0.00 O ATOM 1449 CB LEU A 96 13.700 -8.844 2.604 1.00 0.00 C ATOM 1450 CG LEU A 96 14.882 -8.020 3.139 1.00 0.00 C ATOM 1451 CD1 LEU A 96 15.230 -6.932 2.120 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.559 -7.385 4.495 1.00 0.00 C ATOM 0 H LEU A 96 15.097 -10.794 2.220 1.00 0.00 H new ATOM 0 HA LEU A 96 13.531 -9.997 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.871 -9.056 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.795 -8.239 2.665 1.00 0.00 H new ATOM 0 HG LEU A 96 15.733 -8.686 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.068 -6.341 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.503 -7.395 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.367 -6.283 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.418 -6.810 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.698 -6.724 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.331 -8.168 5.218 1.00 0.00 H new ATOM 1464 N GLN A 97 11.836 -11.255 1.851 1.00 0.00 N ATOM 1465 CA GLN A 97 10.557 -11.874 1.527 1.00 0.00 C ATOM 1466 C GLN A 97 10.239 -12.997 2.502 1.00 0.00 C ATOM 1467 O GLN A 97 9.097 -13.105 2.933 1.00 0.00 O ATOM 1468 CB GLN A 97 10.553 -12.419 0.092 1.00 0.00 C ATOM 1469 CG GLN A 97 10.081 -11.371 -0.916 1.00 0.00 C ATOM 1470 CD GLN A 97 10.518 -11.727 -2.330 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.738 -12.209 -3.148 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.786 -11.511 -2.632 1.00 0.00 N ATOM 0 H GLN A 97 12.525 -11.293 1.100 1.00 0.00 H new ATOM 0 HA GLN A 97 9.790 -11.104 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.557 -12.751 -0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.904 -13.293 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.995 -11.291 -0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.483 -10.395 -0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.415 -11.110 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.136 -11.745 -3.561 1.00 0.00 H new ATOM 1481 N GLU A 98 11.218 -13.817 2.880 1.00 0.00 N ATOM 1482 CA GLU A 98 10.980 -14.912 3.818 1.00 0.00 C ATOM 1483 C GLU A 98 10.608 -14.371 5.204 1.00 0.00 C ATOM 1484 O GLU A 98 9.694 -14.888 5.846 1.00 0.00 O ATOM 1485 CB GLU A 98 12.190 -15.857 3.897 1.00 0.00 C ATOM 1486 CG GLU A 98 12.296 -16.759 2.660 1.00 0.00 C ATOM 1487 CD GLU A 98 13.440 -17.780 2.805 1.00 0.00 C ATOM 1488 OE1 GLU A 98 14.613 -17.440 2.533 1.00 0.00 O ATOM 1489 OE2 GLU A 98 13.173 -18.945 3.179 1.00 0.00 O ATOM 0 H GLU A 98 12.181 -13.744 2.552 1.00 0.00 H new ATOM 0 HA GLU A 98 10.137 -15.493 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.103 -15.270 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.109 -16.475 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.353 -17.285 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.463 -16.146 1.774 1.00 0.00 H new ATOM 1496 N LEU A 99 11.270 -13.298 5.638 1.00 0.00 N ATOM 1497 CA LEU A 99 11.021 -12.608 6.889 1.00 0.00 C ATOM 1498 C LEU A 99 9.602 -12.018 6.925 1.00 0.00 C ATOM 1499 O LEU A 99 8.958 -12.049 7.973 1.00 0.00 O ATOM 1500 CB LEU A 99 12.123 -11.545 7.025 1.00 0.00 C ATOM 1501 CG LEU A 99 12.003 -10.641 8.251 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.122 -11.440 9.553 1.00 0.00 C ATOM 1503 CD2 LEU A 99 13.092 -9.567 8.188 1.00 0.00 C ATOM 0 H LEU A 99 12.025 -12.874 5.099 1.00 0.00 H new ATOM 0 HA LEU A 99 11.060 -13.288 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 99 13.090 -12.048 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.117 -10.921 6.131 1.00 0.00 H new ATOM 0 HG LEU A 99 11.018 -10.174 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.032 -10.765 10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.328 -12.186 9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.091 -11.939 9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.013 -8.917 9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.072 -10.043 8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.967 -8.975 7.282 1.00 0.00 H new ATOM 1515 N VAL A 100 9.087 -11.523 5.796 1.00 0.00 N ATOM 1516 CA VAL A 100 7.686 -11.135 5.658 1.00 0.00 C ATOM 1517 C VAL A 100 6.792 -12.386 5.689 1.00 0.00 C ATOM 1518 O VAL A 100 5.799 -12.435 6.416 1.00 0.00 O ATOM 1519 CB VAL A 100 7.495 -10.338 4.345 1.00 0.00 C ATOM 1520 CG1 VAL A 100 6.028 -9.949 4.103 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.336 -9.053 4.298 1.00 0.00 C ATOM 0 H VAL A 100 9.636 -11.380 4.948 1.00 0.00 H new ATOM 0 HA VAL A 100 7.397 -10.494 6.491 1.00 0.00 H new ATOM 0 HB VAL A 100 7.831 -11.019 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.949 -9.392 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.418 -10.850 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.675 -9.329 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.160 -8.537 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.053 -8.402 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.393 -9.307 4.381 1.00 0.00 H new ATOM 1531 N ASN A 101 7.155 -13.408 4.909 1.00 0.00 N ATOM 1532 CA ASN A 101 6.335 -14.579 4.609 1.00 0.00 C ATOM 1533 C ASN A 101 5.908 -15.311 5.872 1.00 0.00 C ATOM 1534 O ASN A 101 4.750 -15.708 5.992 1.00 0.00 O ATOM 1535 CB ASN A 101 7.092 -15.539 3.679 1.00 0.00 C ATOM 1536 CG ASN A 101 6.200 -16.683 3.213 1.00 0.00 C ATOM 1537 OD1 ASN A 101 6.037 -17.687 3.898 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.621 -16.555 2.032 1.00 0.00 N ATOM 0 H ASN A 101 8.066 -13.441 4.452 1.00 0.00 H new ATOM 0 HA ASN A 101 5.434 -14.224 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.465 -14.991 2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.961 -15.942 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.024 -17.300 1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.771 -15.711 1.479 1.00 0.00 H new ATOM 1545 N LYS A 102 6.822 -15.434 6.840 1.00 0.00 N ATOM 1546 CA LYS A 102 6.566 -16.139 8.097 1.00 0.00 C ATOM 1547 C LYS A 102 5.502 -15.462 8.977 1.00 0.00 C ATOM 1548 O LYS A 102 5.099 -16.057 9.977 1.00 0.00 O ATOM 1549 CB LYS A 102 7.885 -16.413 8.843 1.00 0.00 C ATOM 1550 CG LYS A 102 8.695 -15.154 9.193 1.00 0.00 C ATOM 1551 CD LYS A 102 10.007 -15.439 9.939 1.00 0.00 C ATOM 1552 CE LYS A 102 9.767 -15.975 11.357 1.00 0.00 C ATOM 1553 NZ LYS A 102 11.034 -16.231 12.086 1.00 0.00 N ATOM 0 H LYS A 102 7.763 -15.046 6.772 1.00 0.00 H new ATOM 0 HA LYS A 102 6.126 -17.103 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.661 -16.953 9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.504 -17.069 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.922 -14.614 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.077 -14.496 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.594 -16.163 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.597 -14.524 9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.167 -15.258 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.190 -16.898 11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.859 -16.900 12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.735 -16.635 11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.397 -15.338 12.475 1.00 0.00 H new ATOM 1567 N HIS A 103 5.018 -14.271 8.607 1.00 0.00 N ATOM 1568 CA HIS A 103 3.956 -13.550 9.314 1.00 0.00 C ATOM 1569 C HIS A 103 2.789 -13.142 8.408 1.00 0.00 C ATOM 1570 O HIS A 103 1.840 -12.529 8.901 1.00 0.00 O ATOM 1571 CB HIS A 103 4.547 -12.326 10.022 1.00 0.00 C ATOM 1572 CG HIS A 103 5.538 -12.713 11.082 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.261 -13.384 12.254 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.894 -12.578 11.001 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.428 -13.650 12.861 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.454 -13.182 12.132 1.00 0.00 N ATOM 0 H HIS A 103 5.363 -13.771 7.788 1.00 0.00 H new ATOM 0 HA HIS A 103 3.537 -14.238 10.048 1.00 0.00 H new ATOM 0 HB2 HIS A 103 5.033 -11.683 9.289 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.743 -11.744 10.473 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.334 -13.634 12.599 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.438 -12.091 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.528 -14.168 13.804 1.00 0.00 H new ATOM 1584 N LEU A 104 2.820 -13.464 7.110 1.00 0.00 N ATOM 1585 CA LEU A 104 1.671 -13.274 6.230 1.00 0.00 C ATOM 1586 C LEU A 104 0.486 -14.056 6.785 1.00 0.00 C ATOM 1587 O LEU A 104 -0.594 -13.454 6.948 1.00 0.00 O ATOM 1588 CB LEU A 104 1.985 -13.713 4.790 1.00 0.00 C ATOM 1589 CG LEU A 104 2.906 -12.764 4.002 1.00 0.00 C ATOM 1590 CD1 LEU A 104 3.155 -13.352 2.610 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.324 -11.353 3.852 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.632 -15.270 7.043 1.00 0.00 O ATOM 0 H LEU A 104 3.638 -13.860 6.647 1.00 0.00 H new ATOM 0 HA LEU A 104 1.426 -12.212 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.447 -14.700 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.046 -13.817 4.246 1.00 0.00 H new ATOM 0 HG LEU A 104 3.834 -12.672 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.807 -12.686 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.630 -14.328 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.205 -13.461 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.019 -10.731 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.373 -11.406 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.166 -10.918 4.839 1.00 0.00 H new