USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 517 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00535) USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= 1.59 (180deg=0.164) USER MOD Single : A 18 ASN : amide:sc= -1.75 K(o=-1.7,f=-8.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.111) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.939 (180deg=-1.97!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -31:sc= 0.107 USER MOD Single : A 38 THR OG1 : rot -102:sc= 0.309 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.244 K(o=0.24,f=-0.96) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 0.638 (180deg=0.482) USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= 0.0896 (180deg=-0.515) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.014 1.218 1.691 1.00 0.00 N ATOM 2 CA GLY A 1 3.103 2.169 1.383 1.00 0.00 C ATOM 3 C GLY A 1 3.112 2.556 -0.088 1.00 0.00 C ATOM 4 O GLY A 1 2.088 3.001 -0.619 1.00 0.00 O ATOM 0 H1 GLY A 1 2.039 0.977 2.702 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.098 1.653 1.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.138 0.354 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.988 3.064 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.062 1.723 1.648 1.00 0.00 H new ATOM 10 N ALA A 2 4.261 2.373 -0.750 1.00 0.00 N ATOM 11 CA ALA A 2 4.431 2.623 -2.198 1.00 0.00 C ATOM 12 C ALA A 2 5.372 1.552 -2.786 1.00 0.00 C ATOM 13 O ALA A 2 5.710 0.583 -2.097 1.00 0.00 O ATOM 14 CB ALA A 2 4.965 4.052 -2.430 1.00 0.00 C ATOM 0 H ALA A 2 5.113 2.043 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 2 3.471 2.552 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.087 4.226 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.258 4.775 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.928 4.166 -1.932 1.00 0.00 H new ATOM 20 N SER A 3 5.797 1.725 -4.052 1.00 0.00 N ATOM 21 CA SER A 3 6.711 0.778 -4.736 1.00 0.00 C ATOM 22 C SER A 3 8.171 1.303 -4.737 1.00 0.00 C ATOM 23 O SER A 3 9.006 0.839 -5.528 1.00 0.00 O ATOM 24 CB SER A 3 6.205 0.544 -6.184 1.00 0.00 C ATOM 25 OG SER A 3 6.143 1.755 -6.914 1.00 0.00 O ATOM 0 H SER A 3 5.521 2.519 -4.630 1.00 0.00 H new ATOM 0 HA SER A 3 6.713 -0.168 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.868 -0.156 -6.693 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.217 0.084 -6.155 1.00 0.00 H new ATOM 0 HG SER A 3 5.822 1.573 -7.822 1.00 0.00 H new ATOM 31 N GLY A 4 8.481 2.253 -3.824 1.00 0.00 N ATOM 32 CA GLY A 4 9.797 2.915 -3.784 1.00 0.00 C ATOM 33 C GLY A 4 10.560 2.668 -2.481 1.00 0.00 C ATOM 34 O GLY A 4 10.502 1.570 -1.917 1.00 0.00 O ATOM 0 H GLY A 4 7.833 2.576 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.399 2.562 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.660 3.988 -3.919 1.00 0.00 H new ATOM 38 N ASP A 5 11.257 3.717 -2.004 1.00 0.00 N ATOM 39 CA ASP A 5 12.178 3.649 -0.849 1.00 0.00 C ATOM 40 C ASP A 5 11.424 3.800 0.490 1.00 0.00 C ATOM 41 O ASP A 5 11.728 3.116 1.472 1.00 0.00 O ATOM 42 CB ASP A 5 13.251 4.765 -0.984 1.00 0.00 C ATOM 43 CG ASP A 5 14.323 4.724 0.122 1.00 0.00 C ATOM 44 OD1 ASP A 5 15.224 3.864 0.047 1.00 0.00 O ATOM 45 OD2 ASP A 5 14.279 5.554 1.057 1.00 0.00 O ATOM 0 H ASP A 5 11.197 4.649 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 5 12.656 2.669 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.738 4.674 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.758 5.737 -0.965 1.00 0.00 H new ATOM 50 N LEU A 6 10.420 4.689 0.494 1.00 0.00 N ATOM 51 CA LEU A 6 9.725 5.130 1.707 1.00 0.00 C ATOM 52 C LEU A 6 8.526 4.203 1.973 1.00 0.00 C ATOM 53 O LEU A 6 7.392 4.498 1.582 1.00 0.00 O ATOM 54 CB LEU A 6 9.307 6.624 1.583 1.00 0.00 C ATOM 55 CG LEU A 6 10.455 7.614 1.198 1.00 0.00 C ATOM 56 CD1 LEU A 6 9.918 9.055 1.076 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.650 7.535 2.187 1.00 0.00 C ATOM 0 H LEU A 6 10.065 5.126 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 6 10.395 5.064 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.518 6.702 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.879 6.943 2.533 1.00 0.00 H new ATOM 0 HG LEU A 6 10.835 7.310 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.734 9.726 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.149 9.093 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.491 9.366 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.423 8.239 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.308 7.786 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.058 6.524 2.184 1.00 0.00 H new ATOM 69 N TYR A 7 8.846 3.024 2.538 1.00 0.00 N ATOM 70 CA TYR A 7 7.872 1.976 2.926 1.00 0.00 C ATOM 71 C TYR A 7 6.709 2.528 3.782 1.00 0.00 C ATOM 72 O TYR A 7 5.650 2.874 3.242 1.00 0.00 O ATOM 73 CB TYR A 7 8.607 0.807 3.661 1.00 0.00 C ATOM 74 CG TYR A 7 9.268 -0.194 2.705 1.00 0.00 C ATOM 75 CD1 TYR A 7 10.439 0.119 2.015 1.00 0.00 C ATOM 76 CD2 TYR A 7 8.687 -1.442 2.459 1.00 0.00 C ATOM 77 CE1 TYR A 7 11.011 -0.778 1.130 1.00 0.00 C ATOM 78 CE2 TYR A 7 9.251 -2.338 1.574 1.00 0.00 C ATOM 79 CZ TYR A 7 10.410 -2.005 0.912 1.00 0.00 C ATOM 80 OH TYR A 7 10.971 -2.908 0.030 1.00 0.00 O ATOM 0 H TYR A 7 9.810 2.763 2.744 1.00 0.00 H new ATOM 0 HA TYR A 7 7.421 1.595 2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 7 9.367 1.224 4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.893 0.278 4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.908 1.079 2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.776 -1.711 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.923 -0.521 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.784 -3.297 1.402 1.00 0.00 H new ATOM 0 HH TYR A 7 10.421 -3.718 -0.002 1.00 0.00 H new ATOM 90 N GLU A 8 6.907 2.611 5.109 1.00 0.00 N ATOM 91 CA GLU A 8 5.888 3.102 6.028 1.00 0.00 C ATOM 92 C GLU A 8 6.554 3.613 7.301 1.00 0.00 C ATOM 93 O GLU A 8 7.074 2.816 8.080 1.00 0.00 O ATOM 94 CB GLU A 8 4.884 1.976 6.366 1.00 0.00 C ATOM 95 CG GLU A 8 3.634 2.447 7.113 1.00 0.00 C ATOM 96 CD GLU A 8 2.761 3.392 6.281 1.00 0.00 C ATOM 97 OE1 GLU A 8 2.068 2.909 5.355 1.00 0.00 O ATOM 98 OE2 GLU A 8 2.775 4.619 6.530 1.00 0.00 O ATOM 0 H GLU A 8 7.778 2.338 5.565 1.00 0.00 H new ATOM 0 HA GLU A 8 5.344 3.919 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.577 1.489 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.391 1.223 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.044 1.579 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.935 2.952 8.031 1.00 0.00 H new ATOM 105 N VAL A 9 6.563 4.933 7.491 1.00 0.00 N ATOM 106 CA VAL A 9 7.135 5.542 8.698 1.00 0.00 C ATOM 107 C VAL A 9 6.121 5.447 9.853 1.00 0.00 C ATOM 108 O VAL A 9 4.922 5.669 9.654 1.00 0.00 O ATOM 109 CB VAL A 9 7.566 7.044 8.461 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.633 7.149 7.349 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.360 7.960 8.145 1.00 0.00 C ATOM 0 H VAL A 9 6.181 5.604 6.825 1.00 0.00 H new ATOM 0 HA VAL A 9 8.039 4.990 8.957 1.00 0.00 H new ATOM 0 HB VAL A 9 8.003 7.395 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.910 8.194 7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.514 6.575 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.228 6.752 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.709 8.981 7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.861 7.607 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.659 7.939 8.979 1.00 0.00 H new ATOM 121 N GLU A 10 6.587 5.034 11.037 1.00 0.00 N ATOM 122 CA GLU A 10 5.812 5.158 12.271 1.00 0.00 C ATOM 123 C GLU A 10 5.849 6.633 12.724 1.00 0.00 C ATOM 124 O GLU A 10 4.798 7.266 12.891 1.00 0.00 O ATOM 125 CB GLU A 10 6.385 4.219 13.360 1.00 0.00 C ATOM 126 CG GLU A 10 5.624 4.239 14.703 1.00 0.00 C ATOM 127 CD GLU A 10 4.246 3.579 14.626 1.00 0.00 C ATOM 128 OE1 GLU A 10 4.153 2.350 14.827 1.00 0.00 O ATOM 129 OE2 GLU A 10 3.245 4.272 14.330 1.00 0.00 O ATOM 0 H GLU A 10 7.505 4.608 11.164 1.00 0.00 H new ATOM 0 HA GLU A 10 4.777 4.862 12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.387 3.199 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.424 4.492 13.544 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.222 3.730 15.459 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.507 5.272 15.031 1.00 0.00 H new ATOM 136 N ARG A 11 7.079 7.176 12.851 1.00 0.00 N ATOM 137 CA ARG A 11 7.320 8.590 13.232 1.00 0.00 C ATOM 138 C ARG A 11 8.834 8.874 13.206 1.00 0.00 C ATOM 139 O ARG A 11 9.631 7.974 12.911 1.00 0.00 O ATOM 140 CB ARG A 11 6.717 8.925 14.641 1.00 0.00 C ATOM 141 CG ARG A 11 7.492 8.348 15.846 1.00 0.00 C ATOM 142 CD ARG A 11 6.710 8.418 17.171 1.00 0.00 C ATOM 143 NE ARG A 11 6.244 9.782 17.496 1.00 0.00 N ATOM 144 CZ ARG A 11 5.681 10.156 18.662 1.00 0.00 C ATOM 145 NH1 ARG A 11 5.546 9.293 19.664 1.00 0.00 N ATOM 146 NH2 ARG A 11 5.238 11.398 18.802 1.00 0.00 N ATOM 0 H ARG A 11 7.937 6.647 12.692 1.00 0.00 H new ATOM 0 HA ARG A 11 6.816 9.232 12.510 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.667 10.009 14.748 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.693 8.553 14.677 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.748 7.309 15.639 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.430 8.891 15.958 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.850 7.750 17.115 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.344 8.054 17.980 1.00 0.00 H new ATOM 0 HE ARG A 11 6.358 10.499 16.779 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.871 8.332 19.557 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.118 9.592 20.540 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.325 12.060 18.031 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.810 11.691 19.680 1.00 0.00 H new ATOM 160 N ILE A 12 9.231 10.124 13.496 1.00 0.00 N ATOM 161 CA ILE A 12 10.649 10.465 13.699 1.00 0.00 C ATOM 162 C ILE A 12 11.041 10.186 15.156 1.00 0.00 C ATOM 163 O ILE A 12 10.349 10.611 16.089 1.00 0.00 O ATOM 164 CB ILE A 12 10.981 11.959 13.336 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.553 12.265 11.866 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.491 12.269 13.561 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.135 13.536 11.274 1.00 0.00 C ATOM 0 H ILE A 12 8.592 10.913 13.595 1.00 0.00 H new ATOM 0 HA ILE A 12 11.229 9.839 13.021 1.00 0.00 H new ATOM 0 HB ILE A 12 10.413 12.610 14.000 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.845 11.424 11.237 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.466 12.330 11.827 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.692 13.309 13.302 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.745 12.100 14.607 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.094 11.615 12.931 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.778 13.658 10.252 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.823 14.392 11.872 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.223 13.472 11.273 1.00 0.00 H new ATOM 179 N VAL A 13 12.131 9.430 15.314 1.00 0.00 N ATOM 180 CA VAL A 13 12.773 9.159 16.600 1.00 0.00 C ATOM 181 C VAL A 13 13.541 10.413 17.049 1.00 0.00 C ATOM 182 O VAL A 13 13.261 10.996 18.108 1.00 0.00 O ATOM 183 CB VAL A 13 13.776 7.950 16.470 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.525 7.667 17.783 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.070 6.692 15.937 1.00 0.00 C ATOM 0 H VAL A 13 12.602 8.979 14.530 1.00 0.00 H new ATOM 0 HA VAL A 13 12.009 8.903 17.334 1.00 0.00 H new ATOM 0 HB VAL A 13 14.530 8.241 15.739 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.203 6.826 17.641 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.096 8.549 18.073 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.807 7.426 18.567 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.789 5.877 15.859 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.270 6.406 16.620 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.649 6.900 14.953 1.00 0.00 H new ATOM 195 N ASP A 14 14.480 10.830 16.184 1.00 0.00 N ATOM 196 CA ASP A 14 15.454 11.884 16.488 1.00 0.00 C ATOM 197 C ASP A 14 16.138 12.330 15.175 1.00 0.00 C ATOM 198 O ASP A 14 15.703 11.929 14.095 1.00 0.00 O ATOM 199 CB ASP A 14 16.481 11.354 17.534 1.00 0.00 C ATOM 200 CG ASP A 14 17.154 12.472 18.347 1.00 0.00 C ATOM 201 OD1 ASP A 14 16.518 12.991 19.287 1.00 0.00 O ATOM 202 OD2 ASP A 14 18.306 12.832 18.051 1.00 0.00 O ATOM 0 H ASP A 14 14.583 10.440 15.247 1.00 0.00 H new ATOM 0 HA ASP A 14 14.960 12.753 16.923 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.974 10.672 18.217 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.249 10.777 17.019 1.00 0.00 H new ATOM 207 N LYS A 15 17.177 13.180 15.257 1.00 0.00 N ATOM 208 CA LYS A 15 18.005 13.543 14.084 1.00 0.00 C ATOM 209 C LYS A 15 19.492 13.593 14.475 1.00 0.00 C ATOM 210 O LYS A 15 19.840 13.479 15.652 1.00 0.00 O ATOM 211 CB LYS A 15 17.507 14.885 13.430 1.00 0.00 C ATOM 212 CG LYS A 15 17.910 16.207 14.132 1.00 0.00 C ATOM 213 CD LYS A 15 19.260 16.788 13.639 1.00 0.00 C ATOM 214 CE LYS A 15 19.692 18.029 14.430 1.00 0.00 C ATOM 215 NZ LYS A 15 18.772 19.170 14.209 1.00 0.00 N ATOM 0 H LYS A 15 17.467 13.632 16.124 1.00 0.00 H new ATOM 0 HA LYS A 15 17.895 12.770 13.323 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.878 14.920 12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.419 14.850 13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.126 16.947 13.971 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.970 16.034 15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.032 16.023 13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.177 17.046 12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.725 17.789 15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.702 18.314 14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.116 20.000 14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.733 19.393 13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.820 18.919 14.545 1.00 0.00 H new ATOM 229 N ARG A 16 20.352 13.799 13.467 1.00 0.00 N ATOM 230 CA ARG A 16 21.808 13.833 13.625 1.00 0.00 C ATOM 231 C ARG A 16 22.450 14.407 12.354 1.00 0.00 C ATOM 232 O ARG A 16 21.754 14.781 11.392 1.00 0.00 O ATOM 233 CB ARG A 16 22.357 12.413 13.908 1.00 0.00 C ATOM 234 CG ARG A 16 22.222 11.418 12.732 1.00 0.00 C ATOM 235 CD ARG A 16 22.901 10.086 13.035 1.00 0.00 C ATOM 236 NE ARG A 16 23.062 9.245 11.848 1.00 0.00 N ATOM 237 CZ ARG A 16 23.775 8.111 11.803 1.00 0.00 C ATOM 238 NH1 ARG A 16 24.222 7.537 12.916 1.00 0.00 N ATOM 239 NH2 ARG A 16 24.032 7.552 10.628 1.00 0.00 N ATOM 0 H ARG A 16 20.048 13.949 12.505 1.00 0.00 H new ATOM 0 HA ARG A 16 22.057 14.471 14.473 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.410 12.493 14.178 1.00 0.00 H new ATOM 0 HB3 ARG A 16 21.836 12.003 14.773 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.167 11.248 12.520 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.661 11.854 11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.880 10.275 13.475 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.315 9.547 13.779 1.00 0.00 H new ATOM 0 HE ARG A 16 22.597 9.544 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 16 24.024 7.960 13.823 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.763 6.674 12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.688 7.985 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.574 6.689 10.581 1.00 0.00 H new ATOM 253 N LYS A 17 23.779 14.519 12.378 1.00 0.00 N ATOM 254 CA LYS A 17 24.584 14.813 11.188 1.00 0.00 C ATOM 255 C LYS A 17 25.160 13.486 10.667 1.00 0.00 C ATOM 256 O LYS A 17 25.182 12.480 11.388 1.00 0.00 O ATOM 257 CB LYS A 17 25.735 15.830 11.511 1.00 0.00 C ATOM 258 CG LYS A 17 26.100 16.802 10.359 1.00 0.00 C ATOM 259 CD LYS A 17 25.344 18.160 10.384 1.00 0.00 C ATOM 260 CE LYS A 17 23.837 18.052 10.096 1.00 0.00 C ATOM 261 NZ LYS A 17 23.173 19.371 10.197 1.00 0.00 N ATOM 0 H LYS A 17 24.332 14.408 13.228 1.00 0.00 H new ATOM 0 HA LYS A 17 23.957 15.279 10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.445 16.417 12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.627 15.268 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.172 16.999 10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.898 16.308 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.483 18.622 11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.795 18.827 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.684 17.641 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.379 17.357 10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.590 19.401 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 23.893 20.120 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.569 19.520 9.364 1.00 0.00 H new ATOM 275 N ASN A 18 25.616 13.482 9.425 1.00 0.00 N ATOM 276 CA ASN A 18 26.294 12.331 8.820 1.00 0.00 C ATOM 277 C ASN A 18 27.808 12.539 8.909 1.00 0.00 C ATOM 278 O ASN A 18 28.267 13.628 9.261 1.00 0.00 O ATOM 279 CB ASN A 18 25.807 12.153 7.358 1.00 0.00 C ATOM 280 CG ASN A 18 26.349 10.896 6.671 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.242 10.961 5.851 1.00 0.00 O ATOM 282 ND2 ASN A 18 25.855 9.737 7.060 1.00 0.00 N ATOM 0 H ASN A 18 25.529 14.281 8.797 1.00 0.00 H new ATOM 0 HA ASN A 18 26.052 11.414 9.357 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.718 12.118 7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.102 13.028 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.223 8.869 6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.105 9.708 7.750 1.00 0.00 H new ATOM 289 N LYS A 19 28.579 11.491 8.624 1.00 0.00 N ATOM 290 CA LYS A 19 30.052 11.572 8.478 1.00 0.00 C ATOM 291 C LYS A 19 30.458 12.534 7.324 1.00 0.00 C ATOM 292 O LYS A 19 31.525 13.156 7.349 1.00 0.00 O ATOM 293 CB LYS A 19 30.603 10.132 8.281 1.00 0.00 C ATOM 294 CG LYS A 19 29.997 9.329 7.089 1.00 0.00 C ATOM 295 CD LYS A 19 30.793 9.459 5.769 1.00 0.00 C ATOM 296 CE LYS A 19 32.215 8.895 5.886 1.00 0.00 C ATOM 297 NZ LYS A 19 32.999 9.085 4.642 1.00 0.00 N ATOM 0 H LYS A 19 28.208 10.551 8.485 1.00 0.00 H new ATOM 0 HA LYS A 19 30.495 11.997 9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 19 31.682 10.192 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.431 9.569 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 19 29.942 8.276 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.975 9.668 6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 19 30.262 8.935 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 19 30.844 10.509 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 19 32.729 9.381 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 19 32.164 7.832 6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 33.952 8.689 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 32.524 8.600 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 33.072 10.100 4.429 1.00 0.00 H new ATOM 311 N LYS A 20 29.552 12.641 6.336 1.00 0.00 N ATOM 312 CA LYS A 20 29.628 13.595 5.206 1.00 0.00 C ATOM 313 C LYS A 20 28.975 14.951 5.567 1.00 0.00 C ATOM 314 O LYS A 20 28.798 15.810 4.692 1.00 0.00 O ATOM 315 CB LYS A 20 28.949 12.946 3.947 1.00 0.00 C ATOM 316 CG LYS A 20 29.928 12.240 2.987 1.00 0.00 C ATOM 317 CD LYS A 20 30.859 13.239 2.263 1.00 0.00 C ATOM 318 CE LYS A 20 30.092 14.194 1.333 1.00 0.00 C ATOM 319 NZ LYS A 20 29.397 13.457 0.241 1.00 0.00 N ATOM 0 H LYS A 20 28.721 12.051 6.297 1.00 0.00 H new ATOM 0 HA LYS A 20 30.674 13.804 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 20 28.205 12.224 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 20 28.416 13.721 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 20 30.531 11.525 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 20 29.363 11.672 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 31.407 13.821 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 20 31.597 12.686 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 20 29.362 14.759 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 20 30.785 14.917 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 29.034 14.135 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 30.066 12.808 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 28.605 12.913 0.639 1.00 0.00 H new ATOM 333 N GLY A 21 28.638 15.122 6.860 1.00 0.00 N ATOM 334 CA GLY A 21 28.022 16.342 7.387 1.00 0.00 C ATOM 335 C GLY A 21 26.662 16.679 6.773 1.00 0.00 C ATOM 336 O GLY A 21 26.271 17.847 6.708 1.00 0.00 O ATOM 0 H GLY A 21 28.790 14.406 7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.904 16.238 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.700 17.179 7.219 1.00 0.00 H new ATOM 340 N LYS A 22 25.948 15.641 6.324 1.00 0.00 N ATOM 341 CA LYS A 22 24.577 15.769 5.806 1.00 0.00 C ATOM 342 C LYS A 22 23.581 15.663 6.967 1.00 0.00 C ATOM 343 O LYS A 22 23.906 15.102 8.010 1.00 0.00 O ATOM 344 CB LYS A 22 24.297 14.661 4.760 1.00 0.00 C ATOM 345 CG LYS A 22 25.250 14.668 3.545 1.00 0.00 C ATOM 346 CD LYS A 22 25.155 15.961 2.705 1.00 0.00 C ATOM 347 CE LYS A 22 26.120 15.958 1.509 1.00 0.00 C ATOM 348 NZ LYS A 22 25.963 17.169 0.668 1.00 0.00 N ATOM 0 H LYS A 22 26.304 14.685 6.309 1.00 0.00 H new ATOM 0 HA LYS A 22 24.464 16.739 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.363 13.690 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.273 14.768 4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.275 14.544 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.024 13.812 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.134 16.081 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.371 16.820 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.146 15.898 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.944 15.070 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.632 17.128 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.991 17.213 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.156 18.016 1.240 1.00 0.00 H new ATOM 362 N TRP A 23 22.382 16.210 6.795 1.00 0.00 N ATOM 363 CA TRP A 23 21.307 16.075 7.791 1.00 0.00 C ATOM 364 C TRP A 23 20.691 14.675 7.672 1.00 0.00 C ATOM 365 O TRP A 23 20.190 14.313 6.602 1.00 0.00 O ATOM 366 CB TRP A 23 20.209 17.152 7.581 1.00 0.00 C ATOM 367 CG TRP A 23 20.614 18.578 7.840 1.00 0.00 C ATOM 368 CD1 TRP A 23 21.682 19.250 7.318 1.00 0.00 C ATOM 369 CD2 TRP A 23 19.913 19.518 8.664 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.698 20.540 7.782 1.00 0.00 N ATOM 371 CE2 TRP A 23 20.619 20.729 8.607 1.00 0.00 C ATOM 372 CE3 TRP A 23 18.750 19.441 9.444 1.00 0.00 C ATOM 373 CZ2 TRP A 23 20.214 21.858 9.309 1.00 0.00 C ATOM 374 CZ3 TRP A 23 18.346 20.564 10.140 1.00 0.00 C ATOM 375 CH2 TRP A 23 19.074 21.760 10.064 1.00 0.00 C ATOM 0 H TRP A 23 22.122 16.755 5.973 1.00 0.00 H new ATOM 0 HA TRP A 23 21.730 16.217 8.785 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.851 17.079 6.554 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.367 16.913 8.230 1.00 0.00 H new ATOM 0 HD1 TRP A 23 22.408 18.827 6.639 1.00 0.00 H new ATOM 0 HE1 TRP A 23 22.399 21.245 7.551 1.00 0.00 H new ATOM 0 HE3 TRP A 23 18.183 18.524 9.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 20.777 22.779 9.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 17.457 20.520 10.751 1.00 0.00 H new ATOM 0 HH2 TRP A 23 18.729 22.624 10.613 1.00 0.00 H new ATOM 386 N GLU A 24 20.781 13.864 8.738 1.00 0.00 N ATOM 387 CA GLU A 24 20.007 12.626 8.839 1.00 0.00 C ATOM 388 C GLU A 24 18.960 12.787 9.931 1.00 0.00 C ATOM 389 O GLU A 24 19.130 13.577 10.858 1.00 0.00 O ATOM 390 CB GLU A 24 20.937 11.440 9.165 1.00 0.00 C ATOM 391 CG GLU A 24 21.949 11.098 8.061 1.00 0.00 C ATOM 392 CD GLU A 24 22.902 9.978 8.482 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.796 10.242 9.303 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.773 8.831 8.014 1.00 0.00 O ATOM 0 H GLU A 24 21.384 14.047 9.540 1.00 0.00 H new ATOM 0 HA GLU A 24 19.516 12.424 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.482 11.664 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.325 10.560 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.414 10.799 7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.525 11.988 7.809 1.00 0.00 H new ATOM 401 N TYR A 25 17.863 12.069 9.781 1.00 0.00 N ATOM 402 CA TYR A 25 16.836 11.934 10.802 1.00 0.00 C ATOM 403 C TYR A 25 16.684 10.448 11.110 1.00 0.00 C ATOM 404 O TYR A 25 16.487 9.643 10.195 1.00 0.00 O ATOM 405 CB TYR A 25 15.489 12.540 10.324 1.00 0.00 C ATOM 406 CG TYR A 25 15.417 14.079 10.338 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.105 14.851 9.396 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.649 14.762 11.290 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.037 16.233 9.415 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.580 16.143 11.306 1.00 0.00 C ATOM 411 CZ TYR A 25 15.272 16.870 10.366 1.00 0.00 C ATOM 412 OH TYR A 25 15.210 18.246 10.381 1.00 0.00 O ATOM 0 H TYR A 25 17.655 11.551 8.927 1.00 0.00 H new ATOM 0 HA TYR A 25 17.126 12.480 11.700 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.293 12.193 9.309 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.690 12.150 10.954 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.700 14.360 8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.099 14.197 12.028 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.583 16.811 8.685 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.986 16.648 12.053 1.00 0.00 H new ATOM 0 HH TYR A 25 14.627 18.539 11.112 1.00 0.00 H new ATOM 422 N LEU A 26 16.824 10.087 12.392 1.00 0.00 N ATOM 423 CA LEU A 26 16.578 8.729 12.855 1.00 0.00 C ATOM 424 C LEU A 26 15.060 8.517 12.828 1.00 0.00 C ATOM 425 O LEU A 26 14.334 9.141 13.592 1.00 0.00 O ATOM 426 CB LEU A 26 17.156 8.526 14.287 1.00 0.00 C ATOM 427 CG LEU A 26 17.264 7.053 14.778 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.128 6.208 13.824 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.801 6.981 16.230 1.00 0.00 C ATOM 0 H LEU A 26 17.110 10.731 13.130 1.00 0.00 H new ATOM 0 HA LEU A 26 17.072 7.999 12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.149 8.974 14.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.532 9.078 14.990 1.00 0.00 H new ATOM 0 HG LEU A 26 16.259 6.632 14.776 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.184 5.184 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.681 6.210 12.830 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.131 6.630 13.771 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.865 5.939 16.543 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.791 7.434 16.275 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.125 7.519 16.895 1.00 0.00 H new ATOM 441 N ILE A 27 14.598 7.738 11.852 1.00 0.00 N ATOM 442 CA ILE A 27 13.172 7.449 11.646 1.00 0.00 C ATOM 443 C ILE A 27 12.886 6.019 12.077 1.00 0.00 C ATOM 444 O ILE A 27 13.681 5.125 11.796 1.00 0.00 O ATOM 445 CB ILE A 27 12.738 7.590 10.128 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.304 8.879 9.468 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.195 7.526 9.973 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.799 10.161 10.076 1.00 0.00 C ATOM 0 H ILE A 27 15.207 7.282 11.172 1.00 0.00 H new ATOM 0 HA ILE A 27 12.610 8.173 12.236 1.00 0.00 H new ATOM 0 HB ILE A 27 13.171 6.740 9.601 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.392 8.861 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.053 8.870 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.931 7.626 8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.831 6.570 10.350 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.738 8.337 10.540 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.243 11.010 9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.714 10.206 9.982 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.074 10.197 11.130 1.00 0.00 H new ATOM 460 N ARG A 28 11.746 5.809 12.731 1.00 0.00 N ATOM 461 CA ARG A 28 11.245 4.465 13.027 1.00 0.00 C ATOM 462 C ARG A 28 10.134 4.112 12.018 1.00 0.00 C ATOM 463 O ARG A 28 9.301 4.968 11.689 1.00 0.00 O ATOM 464 CB ARG A 28 10.753 4.375 14.493 1.00 0.00 C ATOM 465 CG ARG A 28 9.631 5.334 14.895 1.00 0.00 C ATOM 466 CD ARG A 28 9.013 4.951 16.243 1.00 0.00 C ATOM 467 NE ARG A 28 8.526 3.556 16.238 1.00 0.00 N ATOM 468 CZ ARG A 28 7.995 2.915 17.279 1.00 0.00 C ATOM 469 NH1 ARG A 28 7.821 3.521 18.447 1.00 0.00 N ATOM 470 NH2 ARG A 28 7.637 1.651 17.134 1.00 0.00 N ATOM 0 H ARG A 28 11.145 6.560 13.070 1.00 0.00 H new ATOM 0 HA ARG A 28 12.049 3.737 12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.413 3.356 14.677 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.604 4.551 15.150 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.023 6.350 14.950 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.858 5.332 14.127 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.754 5.076 17.033 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.187 5.625 16.471 1.00 0.00 H new ATOM 0 HE ARG A 28 8.603 3.039 15.362 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.096 4.497 18.561 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.413 3.011 19.230 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.769 1.183 16.237 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.229 1.143 17.919 1.00 0.00 H new ATOM 484 N TRP A 29 10.158 2.857 11.505 1.00 0.00 N ATOM 485 CA TRP A 29 9.287 2.394 10.396 1.00 0.00 C ATOM 486 C TRP A 29 8.402 1.192 10.819 1.00 0.00 C ATOM 487 O TRP A 29 8.885 0.176 11.373 1.00 0.00 O ATOM 488 CB TRP A 29 10.126 2.006 9.138 1.00 0.00 C ATOM 489 CG TRP A 29 10.993 3.118 8.598 1.00 0.00 C ATOM 490 CD1 TRP A 29 12.084 3.681 9.190 1.00 0.00 C ATOM 491 CD2 TRP A 29 10.838 3.786 7.348 1.00 0.00 C ATOM 492 NE1 TRP A 29 12.594 4.670 8.399 1.00 0.00 N ATOM 493 CE2 TRP A 29 11.853 4.749 7.259 1.00 0.00 C ATOM 494 CE3 TRP A 29 9.933 3.665 6.298 1.00 0.00 C ATOM 495 CZ2 TRP A 29 11.987 5.584 6.164 1.00 0.00 C ATOM 496 CZ3 TRP A 29 10.069 4.490 5.213 1.00 0.00 C ATOM 497 CH2 TRP A 29 11.090 5.444 5.150 1.00 0.00 C ATOM 0 H TRP A 29 10.787 2.133 11.852 1.00 0.00 H new ATOM 0 HA TRP A 29 8.635 3.231 10.144 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.761 1.156 9.388 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.447 1.677 8.351 1.00 0.00 H new ATOM 0 HD1 TRP A 29 12.487 3.387 10.148 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.399 5.254 8.625 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.138 2.935 6.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.775 6.321 6.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.375 4.402 4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 29 11.168 6.081 4.281 1.00 0.00 H new ATOM 508 N LYS A 30 7.103 1.307 10.478 1.00 0.00 N ATOM 509 CA LYS A 30 6.077 0.295 10.775 1.00 0.00 C ATOM 510 C LYS A 30 6.492 -1.095 10.246 1.00 0.00 C ATOM 511 O LYS A 30 7.040 -1.205 9.141 1.00 0.00 O ATOM 512 CB LYS A 30 4.719 0.725 10.154 1.00 0.00 C ATOM 513 CG LYS A 30 3.543 -0.267 10.378 1.00 0.00 C ATOM 514 CD LYS A 30 3.131 -0.447 11.871 1.00 0.00 C ATOM 515 CE LYS A 30 2.189 0.659 12.402 1.00 0.00 C ATOM 516 NZ LYS A 30 2.793 2.013 12.357 1.00 0.00 N ATOM 0 H LYS A 30 6.735 2.118 9.981 1.00 0.00 H new ATOM 0 HA LYS A 30 5.971 0.221 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.439 1.694 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.856 0.864 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.678 0.080 9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.820 -1.239 9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.641 -1.414 11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.031 -0.469 12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.271 0.658 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.910 0.427 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.307 2.633 13.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.801 1.952 12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.695 2.405 11.399 1.00 0.00 H new ATOM 530 N GLY A 31 6.255 -2.130 11.061 1.00 0.00 N ATOM 531 CA GLY A 31 6.509 -3.517 10.671 1.00 0.00 C ATOM 532 C GLY A 31 7.712 -4.136 11.358 1.00 0.00 C ATOM 533 O GLY A 31 7.847 -5.371 11.367 1.00 0.00 O ATOM 0 H GLY A 31 5.883 -2.028 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.626 -4.115 10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.657 -3.560 9.592 1.00 0.00 H new ATOM 537 N TYR A 32 8.600 -3.304 11.941 1.00 0.00 N ATOM 538 CA TYR A 32 9.781 -3.816 12.685 1.00 0.00 C ATOM 539 C TYR A 32 9.735 -3.423 14.185 1.00 0.00 C ATOM 540 O TYR A 32 8.836 -2.691 14.616 1.00 0.00 O ATOM 541 CB TYR A 32 11.082 -3.316 12.007 1.00 0.00 C ATOM 542 CG TYR A 32 11.287 -3.820 10.573 1.00 0.00 C ATOM 543 CD1 TYR A 32 11.908 -5.048 10.322 1.00 0.00 C ATOM 544 CD2 TYR A 32 10.867 -3.069 9.468 1.00 0.00 C ATOM 545 CE1 TYR A 32 12.103 -5.502 9.030 1.00 0.00 C ATOM 546 CE2 TYR A 32 11.060 -3.524 8.175 1.00 0.00 C ATOM 547 CZ TYR A 32 11.677 -4.741 7.962 1.00 0.00 C ATOM 548 OH TYR A 32 11.868 -5.203 6.672 1.00 0.00 O ATOM 0 H TYR A 32 8.528 -2.287 11.915 1.00 0.00 H new ATOM 0 HA TYR A 32 9.763 -4.905 12.651 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.076 -2.226 11.998 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.934 -3.625 12.612 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.241 -5.653 11.152 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.383 -2.117 9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.588 -6.451 8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.729 -2.930 7.336 1.00 0.00 H new ATOM 0 HH TYR A 32 11.511 -4.550 6.034 1.00 0.00 H new ATOM 558 N GLY A 33 10.689 -3.983 14.977 1.00 0.00 N ATOM 559 CA GLY A 33 10.911 -3.579 16.378 1.00 0.00 C ATOM 560 C GLY A 33 11.892 -2.421 16.464 1.00 0.00 C ATOM 561 O GLY A 33 11.907 -1.614 15.582 1.00 0.00 O ATOM 0 H GLY A 33 11.317 -4.721 14.658 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.963 -3.291 16.831 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.292 -4.426 16.948 1.00 0.00 H new ATOM 565 N SER A 34 12.763 -2.363 17.487 1.00 0.00 N ATOM 566 CA SER A 34 13.751 -1.252 17.638 1.00 0.00 C ATOM 567 C SER A 34 14.737 -1.155 16.433 1.00 0.00 C ATOM 568 O SER A 34 15.353 -0.109 16.205 1.00 0.00 O ATOM 569 CB SER A 34 14.532 -1.417 18.958 1.00 0.00 C ATOM 570 OG SER A 34 13.663 -1.366 20.076 1.00 0.00 O ATOM 0 H SER A 34 12.812 -3.065 18.225 1.00 0.00 H new ATOM 0 HA SER A 34 13.187 -0.320 17.659 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.066 -2.367 18.952 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.282 -0.631 19.041 1.00 0.00 H new ATOM 0 HG SER A 34 14.183 -1.475 20.900 1.00 0.00 H new ATOM 576 N THR A 35 14.851 -2.251 15.663 1.00 0.00 N ATOM 577 CA THR A 35 15.667 -2.318 14.433 1.00 0.00 C ATOM 578 C THR A 35 15.110 -1.398 13.310 1.00 0.00 C ATOM 579 O THR A 35 15.813 -1.114 12.322 1.00 0.00 O ATOM 580 CB THR A 35 15.772 -3.803 13.934 1.00 0.00 C ATOM 581 OG1 THR A 35 16.670 -3.905 12.811 1.00 0.00 O ATOM 582 CG2 THR A 35 14.398 -4.395 13.555 1.00 0.00 C ATOM 0 H THR A 35 14.374 -3.127 15.878 1.00 0.00 H new ATOM 0 HA THR A 35 16.664 -1.953 14.678 1.00 0.00 H new ATOM 0 HB THR A 35 16.166 -4.383 14.768 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.636 -3.077 12.289 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.526 -5.423 13.216 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.742 -4.378 14.425 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.955 -3.802 12.755 1.00 0.00 H new ATOM 590 N GLU A 36 13.859 -0.917 13.485 1.00 0.00 N ATOM 591 CA GLU A 36 13.188 -0.012 12.527 1.00 0.00 C ATOM 592 C GLU A 36 13.851 1.381 12.493 1.00 0.00 C ATOM 593 O GLU A 36 13.704 2.112 11.505 1.00 0.00 O ATOM 594 CB GLU A 36 11.686 0.119 12.886 1.00 0.00 C ATOM 595 CG GLU A 36 11.360 0.909 14.169 1.00 0.00 C ATOM 596 CD GLU A 36 9.867 0.836 14.570 1.00 0.00 C ATOM 597 OE1 GLU A 36 9.034 1.554 13.978 1.00 0.00 O ATOM 598 OE2 GLU A 36 9.517 0.068 15.477 1.00 0.00 O ATOM 0 H GLU A 36 13.285 -1.146 14.297 1.00 0.00 H new ATOM 0 HA GLU A 36 13.287 -0.447 11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.174 0.596 12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.269 -0.883 12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.968 0.525 14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.640 1.953 14.026 1.00 0.00 H new ATOM 605 N ASP A 37 14.574 1.726 13.580 1.00 0.00 N ATOM 606 CA ASP A 37 15.274 3.014 13.718 1.00 0.00 C ATOM 607 C ASP A 37 16.444 3.090 12.719 1.00 0.00 C ATOM 608 O ASP A 37 17.556 2.629 13.010 1.00 0.00 O ATOM 609 CB ASP A 37 15.793 3.217 15.177 1.00 0.00 C ATOM 610 CG ASP A 37 14.717 3.087 16.276 1.00 0.00 C ATOM 611 OD1 ASP A 37 13.527 3.331 16.006 1.00 0.00 O ATOM 612 OD2 ASP A 37 15.064 2.740 17.425 1.00 0.00 O ATOM 0 H ASP A 37 14.687 1.114 14.388 1.00 0.00 H new ATOM 0 HA ASP A 37 14.566 3.813 13.498 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.580 2.488 15.372 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.249 4.205 15.250 1.00 0.00 H new ATOM 617 N THR A 38 16.172 3.633 11.521 1.00 0.00 N ATOM 618 CA THR A 38 17.193 3.849 10.484 1.00 0.00 C ATOM 619 C THR A 38 17.306 5.349 10.169 1.00 0.00 C ATOM 620 O THR A 38 16.318 6.088 10.175 1.00 0.00 O ATOM 621 CB THR A 38 16.911 3.029 9.179 1.00 0.00 C ATOM 622 OG1 THR A 38 17.943 3.258 8.205 1.00 0.00 O ATOM 623 CG2 THR A 38 15.549 3.355 8.560 1.00 0.00 C ATOM 0 H THR A 38 15.238 3.934 11.245 1.00 0.00 H new ATOM 0 HA THR A 38 18.142 3.486 10.879 1.00 0.00 H new ATOM 0 HB THR A 38 16.901 1.979 9.471 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.618 3.884 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.407 2.758 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.760 3.125 9.276 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.510 4.414 8.304 1.00 0.00 H new ATOM 631 N TRP A 39 18.533 5.765 9.880 1.00 0.00 N ATOM 632 CA TRP A 39 18.916 7.172 9.672 1.00 0.00 C ATOM 633 C TRP A 39 18.770 7.543 8.185 1.00 0.00 C ATOM 634 O TRP A 39 19.639 7.226 7.360 1.00 0.00 O ATOM 635 CB TRP A 39 20.368 7.400 10.206 1.00 0.00 C ATOM 636 CG TRP A 39 21.293 6.192 10.034 1.00 0.00 C ATOM 637 CD1 TRP A 39 21.906 5.759 8.889 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.676 5.264 11.060 1.00 0.00 C ATOM 639 NE1 TRP A 39 22.632 4.624 9.145 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.511 4.305 10.468 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.383 5.157 12.427 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.070 3.256 11.195 1.00 0.00 C ATOM 643 CZ3 TRP A 39 21.935 4.117 13.147 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.768 3.174 12.528 1.00 0.00 C ATOM 0 H TRP A 39 19.318 5.121 9.779 1.00 0.00 H new ATOM 0 HA TRP A 39 18.252 7.830 10.232 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.804 8.255 9.689 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.318 7.659 11.264 1.00 0.00 H new ATOM 0 HD1 TRP A 39 21.829 6.241 7.925 1.00 0.00 H new ATOM 0 HE1 TRP A 39 23.175 4.102 8.458 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.737 5.876 12.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 23.719 2.533 10.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 21.722 4.028 14.202 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.180 2.366 13.115 1.00 0.00 H new ATOM 655 N GLU A 40 17.637 8.169 7.842 1.00 0.00 N ATOM 656 CA GLU A 40 17.320 8.565 6.458 1.00 0.00 C ATOM 657 C GLU A 40 17.746 10.022 6.189 1.00 0.00 C ATOM 658 O GLU A 40 17.655 10.862 7.090 1.00 0.00 O ATOM 659 CB GLU A 40 15.802 8.365 6.187 1.00 0.00 C ATOM 660 CG GLU A 40 15.335 6.900 6.329 1.00 0.00 C ATOM 661 CD GLU A 40 16.173 5.913 5.485 1.00 0.00 C ATOM 662 OE1 GLU A 40 15.945 5.817 4.264 1.00 0.00 O ATOM 663 OE2 GLU A 40 17.090 5.249 6.030 1.00 0.00 O ATOM 0 H GLU A 40 16.912 8.417 8.515 1.00 0.00 H new ATOM 0 HA GLU A 40 17.882 7.930 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.233 8.987 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.572 8.715 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.388 6.608 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.289 6.828 6.030 1.00 0.00 H new ATOM 670 N PRO A 41 18.217 10.341 4.940 1.00 0.00 N ATOM 671 CA PRO A 41 18.651 11.708 4.572 1.00 0.00 C ATOM 672 C PRO A 41 17.471 12.689 4.575 1.00 0.00 C ATOM 673 O PRO A 41 16.400 12.345 4.108 1.00 0.00 O ATOM 674 CB PRO A 41 19.232 11.524 3.146 1.00 0.00 C ATOM 675 CG PRO A 41 18.514 10.331 2.603 1.00 0.00 C ATOM 676 CD PRO A 41 18.352 9.405 3.785 1.00 0.00 C ATOM 0 HA PRO A 41 19.371 12.130 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.059 12.406 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.309 11.361 3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.547 10.609 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.084 9.856 1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.474 8.768 3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.212 8.746 3.900 1.00 0.00 H new ATOM 684 N GLU A 42 17.698 13.902 5.087 1.00 0.00 N ATOM 685 CA GLU A 42 16.658 14.945 5.224 1.00 0.00 C ATOM 686 C GLU A 42 15.994 15.263 3.874 1.00 0.00 C ATOM 687 O GLU A 42 14.767 15.260 3.764 1.00 0.00 O ATOM 688 CB GLU A 42 17.285 16.200 5.904 1.00 0.00 C ATOM 689 CG GLU A 42 16.478 17.531 5.865 1.00 0.00 C ATOM 690 CD GLU A 42 16.783 18.384 4.613 1.00 0.00 C ATOM 691 OE1 GLU A 42 17.963 18.761 4.426 1.00 0.00 O ATOM 692 OE2 GLU A 42 15.868 18.650 3.803 1.00 0.00 O ATOM 0 H GLU A 42 18.614 14.198 5.423 1.00 0.00 H new ATOM 0 HA GLU A 42 15.854 14.579 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.474 15.954 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.254 16.383 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.412 17.304 5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.704 18.113 6.759 1.00 0.00 H new ATOM 699 N HIS A 43 16.811 15.466 2.829 1.00 0.00 N ATOM 700 CA HIS A 43 16.306 15.827 1.484 1.00 0.00 C ATOM 701 C HIS A 43 15.413 14.722 0.858 1.00 0.00 C ATOM 702 O HIS A 43 14.686 14.992 -0.104 1.00 0.00 O ATOM 703 CB HIS A 43 17.480 16.178 0.533 1.00 0.00 C ATOM 704 CG HIS A 43 18.196 17.458 0.894 1.00 0.00 C ATOM 705 ND1 HIS A 43 19.480 17.497 1.395 1.00 0.00 N ATOM 706 CD2 HIS A 43 17.793 18.752 0.810 1.00 0.00 C ATOM 707 CE1 HIS A 43 19.831 18.754 1.609 1.00 0.00 C ATOM 708 NE2 HIS A 43 18.830 19.534 1.259 1.00 0.00 N ATOM 0 H HIS A 43 17.826 15.387 2.884 1.00 0.00 H new ATOM 0 HA HIS A 43 15.676 16.707 1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.197 15.357 0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.098 16.261 -0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 43 16.835 19.102 0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.780 19.085 2.005 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.825 20.553 1.312 1.00 0.00 H new ATOM 717 N HIS A 44 15.451 13.489 1.411 1.00 0.00 N ATOM 718 CA HIS A 44 14.685 12.340 0.874 1.00 0.00 C ATOM 719 C HIS A 44 14.007 11.507 1.979 1.00 0.00 C ATOM 720 O HIS A 44 13.530 10.408 1.679 1.00 0.00 O ATOM 721 CB HIS A 44 15.611 11.437 0.003 1.00 0.00 C ATOM 722 CG HIS A 44 15.929 12.013 -1.351 1.00 0.00 C ATOM 723 ND1 HIS A 44 17.124 12.634 -1.654 1.00 0.00 N ATOM 724 CD2 HIS A 44 15.183 12.069 -2.483 1.00 0.00 C ATOM 725 CE1 HIS A 44 17.097 13.047 -2.910 1.00 0.00 C ATOM 726 NE2 HIS A 44 15.934 12.719 -3.434 1.00 0.00 N ATOM 0 H HIS A 44 16.008 13.263 2.235 1.00 0.00 H new ATOM 0 HA HIS A 44 13.887 12.749 0.254 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.543 11.264 0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.134 10.466 -0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.185 11.676 -2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 44 17.895 13.566 -3.420 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.638 12.915 -4.390 1.00 0.00 H new ATOM 735 N LEU A 45 13.915 12.024 3.234 1.00 0.00 N ATOM 736 CA LEU A 45 13.319 11.234 4.352 1.00 0.00 C ATOM 737 C LEU A 45 11.804 11.057 4.121 1.00 0.00 C ATOM 738 O LEU A 45 11.249 9.968 4.288 1.00 0.00 O ATOM 739 CB LEU A 45 13.612 11.858 5.773 1.00 0.00 C ATOM 740 CG LEU A 45 12.612 12.928 6.368 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.874 13.170 7.860 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.638 14.271 5.608 1.00 0.00 C ATOM 0 H LEU A 45 14.235 12.957 3.495 1.00 0.00 H new ATOM 0 HA LEU A 45 13.799 10.256 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.674 11.036 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.599 12.319 5.731 1.00 0.00 H new ATOM 0 HG LEU A 45 11.617 12.502 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.169 13.911 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.747 12.236 8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.892 13.535 7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.930 14.962 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.641 14.696 5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.362 14.105 4.567 1.00 0.00 H new ATOM 754 N LEU A 46 11.196 12.159 3.666 1.00 0.00 N ATOM 755 CA LEU A 46 9.745 12.361 3.484 1.00 0.00 C ATOM 756 C LEU A 46 9.550 13.719 2.780 1.00 0.00 C ATOM 757 O LEU A 46 10.489 14.521 2.686 1.00 0.00 O ATOM 758 CB LEU A 46 8.963 12.394 4.847 1.00 0.00 C ATOM 759 CG LEU A 46 8.734 11.037 5.587 1.00 0.00 C ATOM 760 CD1 LEU A 46 8.146 11.255 6.989 1.00 0.00 C ATOM 761 CD2 LEU A 46 7.855 10.085 4.741 1.00 0.00 C ATOM 0 H LEU A 46 11.731 12.985 3.398 1.00 0.00 H new ATOM 0 HA LEU A 46 9.354 11.527 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.498 13.059 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.988 12.844 4.663 1.00 0.00 H new ATOM 0 HG LEU A 46 9.705 10.560 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.999 10.291 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.832 11.860 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.188 11.769 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.711 9.148 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.887 10.551 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.347 9.885 3.789 1.00 0.00 H new ATOM 773 N HIS A 47 8.336 13.962 2.283 1.00 0.00 N ATOM 774 CA HIS A 47 7.882 15.304 1.836 1.00 0.00 C ATOM 775 C HIS A 47 6.820 15.852 2.812 1.00 0.00 C ATOM 776 O HIS A 47 6.226 16.917 2.592 1.00 0.00 O ATOM 777 CB HIS A 47 7.365 15.228 0.376 1.00 0.00 C ATOM 778 CG HIS A 47 8.475 15.126 -0.644 1.00 0.00 C ATOM 779 ND1 HIS A 47 9.124 13.946 -0.955 1.00 0.00 N ATOM 780 CD2 HIS A 47 9.063 16.080 -1.405 1.00 0.00 C ATOM 781 CE1 HIS A 47 10.060 14.185 -1.855 1.00 0.00 C ATOM 782 NE2 HIS A 47 10.038 15.466 -2.147 1.00 0.00 N ATOM 0 H HIS A 47 7.627 13.237 2.174 1.00 0.00 H new ATOM 0 HA HIS A 47 8.719 16.002 1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.707 14.365 0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.765 16.113 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.810 17.130 -1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.730 13.452 -2.279 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.649 15.930 -2.819 1.00 0.00 H new ATOM 791 N CYS A 48 6.591 15.095 3.898 1.00 0.00 N ATOM 792 CA CYS A 48 5.737 15.496 5.016 1.00 0.00 C ATOM 793 C CYS A 48 6.604 16.052 6.166 1.00 0.00 C ATOM 794 O CYS A 48 7.135 15.287 6.985 1.00 0.00 O ATOM 795 CB CYS A 48 4.893 14.284 5.481 1.00 0.00 C ATOM 796 SG CYS A 48 3.736 13.660 4.243 1.00 0.00 S ATOM 0 H CYS A 48 7.005 14.171 4.021 1.00 0.00 H new ATOM 0 HA CYS A 48 5.057 16.286 4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.567 13.477 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.334 14.567 6.373 1.00 0.00 H new ATOM 0 HG CYS A 48 3.083 12.647 4.731 1.00 0.00 H new ATOM 802 N GLU A 49 6.770 17.393 6.203 1.00 0.00 N ATOM 803 CA GLU A 49 7.553 18.080 7.258 1.00 0.00 C ATOM 804 C GLU A 49 6.814 18.055 8.618 1.00 0.00 C ATOM 805 O GLU A 49 7.394 18.399 9.649 1.00 0.00 O ATOM 806 CB GLU A 49 7.893 19.543 6.860 1.00 0.00 C ATOM 807 CG GLU A 49 9.068 20.163 7.657 1.00 0.00 C ATOM 808 CD GLU A 49 9.261 21.676 7.420 1.00 0.00 C ATOM 809 OE1 GLU A 49 9.697 22.066 6.315 1.00 0.00 O ATOM 810 OE2 GLU A 49 8.961 22.480 8.333 1.00 0.00 O ATOM 0 H GLU A 49 6.370 18.026 5.510 1.00 0.00 H new ATOM 0 HA GLU A 49 8.488 17.531 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.135 19.571 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.007 20.161 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.902 19.991 8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.988 19.644 7.390 1.00 0.00 H new ATOM 817 N GLU A 50 5.520 17.672 8.592 1.00 0.00 N ATOM 818 CA GLU A 50 4.713 17.449 9.811 1.00 0.00 C ATOM 819 C GLU A 50 5.415 16.487 10.802 1.00 0.00 C ATOM 820 O GLU A 50 5.375 16.699 12.015 1.00 0.00 O ATOM 821 CB GLU A 50 3.307 16.919 9.423 1.00 0.00 C ATOM 822 CG GLU A 50 3.337 15.667 8.533 1.00 0.00 C ATOM 823 CD GLU A 50 1.944 15.166 8.132 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.255 15.851 7.346 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.517 14.101 8.614 1.00 0.00 O ATOM 0 H GLU A 50 5.005 17.509 7.727 1.00 0.00 H new ATOM 0 HA GLU A 50 4.604 18.405 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.751 16.693 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.762 17.708 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.909 15.886 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.863 14.870 9.059 1.00 0.00 H new ATOM 832 N PHE A 51 6.100 15.466 10.271 1.00 0.00 N ATOM 833 CA PHE A 51 6.883 14.527 11.093 1.00 0.00 C ATOM 834 C PHE A 51 8.089 15.236 11.753 1.00 0.00 C ATOM 835 O PHE A 51 8.364 15.022 12.938 1.00 0.00 O ATOM 836 CB PHE A 51 7.322 13.306 10.244 1.00 0.00 C ATOM 837 CG PHE A 51 6.169 12.358 9.904 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.346 12.587 8.805 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.898 11.249 10.704 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.296 11.737 8.514 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.846 10.402 10.418 1.00 0.00 C ATOM 842 CZ PHE A 51 4.043 10.647 9.323 1.00 0.00 C ATOM 0 H PHE A 51 6.129 15.267 9.271 1.00 0.00 H new ATOM 0 HA PHE A 51 6.250 14.160 11.901 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.777 13.660 9.319 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.090 12.753 10.785 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.531 13.441 8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.522 11.049 11.563 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.672 11.926 7.653 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.652 9.549 11.051 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.218 9.987 9.099 1.00 0.00 H new ATOM 852 N ILE A 52 8.771 16.125 10.998 1.00 0.00 N ATOM 853 CA ILE A 52 9.866 16.967 11.547 1.00 0.00 C ATOM 854 C ILE A 52 9.294 17.888 12.652 1.00 0.00 C ATOM 855 O ILE A 52 9.920 18.102 13.701 1.00 0.00 O ATOM 856 CB ILE A 52 10.598 17.822 10.427 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.385 16.916 9.407 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.552 18.878 11.045 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.543 16.128 8.418 1.00 0.00 C ATOM 0 H ILE A 52 8.586 16.281 10.007 1.00 0.00 H new ATOM 0 HA ILE A 52 10.621 16.304 11.969 1.00 0.00 H new ATOM 0 HB ILE A 52 9.813 18.342 9.879 1.00 0.00 H new ATOM 0 HG12 ILE A 52 12.070 17.550 8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.995 16.213 9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.035 19.443 10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.981 19.558 11.678 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.311 18.376 11.644 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.195 15.543 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.876 15.458 8.961 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.953 16.816 7.813 1.00 0.00 H new ATOM 871 N ASP A 53 8.043 18.326 12.435 1.00 0.00 N ATOM 872 CA ASP A 53 7.328 19.221 13.357 1.00 0.00 C ATOM 873 C ASP A 53 7.060 18.487 14.683 1.00 0.00 C ATOM 874 O ASP A 53 7.339 19.025 15.774 1.00 0.00 O ATOM 875 CB ASP A 53 6.007 19.695 12.694 1.00 0.00 C ATOM 876 CG ASP A 53 5.108 20.565 13.591 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.266 21.803 13.585 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.216 20.016 14.276 1.00 0.00 O ATOM 0 H ASP A 53 7.498 18.068 11.612 1.00 0.00 H new ATOM 0 HA ASP A 53 7.935 20.100 13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.251 20.258 11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.441 18.819 12.378 1.00 0.00 H new ATOM 883 N GLU A 54 6.626 17.196 14.576 1.00 0.00 N ATOM 884 CA GLU A 54 6.274 16.391 15.757 1.00 0.00 C ATOM 885 C GLU A 54 7.564 16.048 16.507 1.00 0.00 C ATOM 886 O GLU A 54 7.549 15.918 17.736 1.00 0.00 O ATOM 887 CB GLU A 54 5.472 15.091 15.414 1.00 0.00 C ATOM 888 CG GLU A 54 6.317 13.878 14.964 1.00 0.00 C ATOM 889 CD GLU A 54 5.520 12.570 14.875 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.106 12.055 15.933 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.294 12.052 13.760 1.00 0.00 O ATOM 0 H GLU A 54 6.517 16.706 13.688 1.00 0.00 H new ATOM 0 HA GLU A 54 5.606 16.986 16.380 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.894 14.801 16.291 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.758 15.325 14.625 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.755 14.093 13.989 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.143 13.743 15.662 1.00 0.00 H new ATOM 898 N PHE A 55 8.688 15.968 15.743 1.00 0.00 N ATOM 899 CA PHE A 55 10.018 15.718 16.302 1.00 0.00 C ATOM 900 C PHE A 55 10.377 16.850 17.276 1.00 0.00 C ATOM 901 O PHE A 55 10.829 16.584 18.392 1.00 0.00 O ATOM 902 CB PHE A 55 11.079 15.559 15.169 1.00 0.00 C ATOM 903 CG PHE A 55 12.532 15.779 15.605 1.00 0.00 C ATOM 904 CD1 PHE A 55 13.132 14.951 16.548 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.284 16.843 15.090 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.424 15.181 16.973 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.581 17.063 15.512 1.00 0.00 C ATOM 908 CZ PHE A 55 15.148 16.229 16.455 1.00 0.00 C ATOM 0 H PHE A 55 8.683 16.076 14.729 1.00 0.00 H new ATOM 0 HA PHE A 55 10.012 14.778 16.854 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.990 14.558 14.747 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.844 16.264 14.371 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.579 14.117 16.953 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.844 17.500 14.354 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.869 14.535 17.716 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.150 17.886 15.105 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.162 16.400 16.786 1.00 0.00 H new ATOM 918 N ASN A 56 10.088 18.099 16.874 1.00 0.00 N ATOM 919 CA ASN A 56 10.357 19.281 17.713 1.00 0.00 C ATOM 920 C ASN A 56 9.464 19.251 18.976 1.00 0.00 C ATOM 921 O ASN A 56 9.861 19.720 20.053 1.00 0.00 O ATOM 922 CB ASN A 56 10.134 20.584 16.905 1.00 0.00 C ATOM 923 CG ASN A 56 10.630 21.842 17.629 1.00 0.00 C ATOM 924 OD1 ASN A 56 9.892 22.486 18.376 1.00 0.00 O ATOM 925 ND2 ASN A 56 11.892 22.199 17.409 1.00 0.00 N ATOM 0 H ASN A 56 9.667 18.317 15.971 1.00 0.00 H new ATOM 0 HA ASN A 56 11.400 19.258 18.029 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.645 20.500 15.946 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.071 20.692 16.691 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.274 23.028 17.865 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.477 21.644 16.785 1.00 0.00 H new ATOM 932 N GLY A 57 8.274 18.634 18.827 1.00 0.00 N ATOM 933 CA GLY A 57 7.333 18.469 19.930 1.00 0.00 C ATOM 934 C GLY A 57 7.751 17.392 20.936 1.00 0.00 C ATOM 935 O GLY A 57 7.453 17.514 22.129 1.00 0.00 O ATOM 0 H GLY A 57 7.950 18.243 17.943 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.227 19.420 20.452 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.353 18.216 19.526 1.00 0.00 H new ATOM 939 N LEU A 58 8.426 16.320 20.460 1.00 0.00 N ATOM 940 CA LEU A 58 8.823 15.177 21.327 1.00 0.00 C ATOM 941 C LEU A 58 10.259 15.334 21.872 1.00 0.00 C ATOM 942 O LEU A 58 10.612 14.733 22.899 1.00 0.00 O ATOM 943 CB LEU A 58 8.589 13.807 20.591 1.00 0.00 C ATOM 944 CG LEU A 58 9.250 13.600 19.180 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.748 13.231 19.247 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.461 12.574 18.329 1.00 0.00 C ATOM 0 H LEU A 58 8.708 16.219 19.485 1.00 0.00 H new ATOM 0 HA LEU A 58 8.176 15.179 22.204 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.946 13.012 21.246 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.514 13.669 20.479 1.00 0.00 H new ATOM 0 HG LEU A 58 9.199 14.570 18.686 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.137 13.104 18.237 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.297 14.028 19.749 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.869 12.301 19.802 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.946 12.455 17.360 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.440 11.614 18.844 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.441 12.930 18.183 1.00 0.00 H new ATOM 958 N HIS A 59 11.081 16.154 21.190 1.00 0.00 N ATOM 959 CA HIS A 59 12.498 16.363 21.548 1.00 0.00 C ATOM 960 C HIS A 59 12.631 17.556 22.510 1.00 0.00 C ATOM 961 O HIS A 59 13.302 17.453 23.538 1.00 0.00 O ATOM 962 CB HIS A 59 13.350 16.587 20.266 1.00 0.00 C ATOM 963 CG HIS A 59 14.842 16.679 20.493 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.704 15.638 20.221 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.623 17.692 20.951 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.940 16.002 20.502 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.923 17.240 20.945 1.00 0.00 N ATOM 0 H HIS A 59 10.782 16.690 20.375 1.00 0.00 H new ATOM 0 HA HIS A 59 12.871 15.472 22.053 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.154 15.770 19.571 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.015 17.504 19.782 1.00 0.00 H new ATOM 0 HD1 HIS A 59 15.428 14.726 19.858 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.286 18.670 21.262 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.820 15.386 20.387 1.00 0.00 H new ATOM 976 N MET A 60 12.003 18.694 22.150 1.00 0.00 N ATOM 977 CA MET A 60 12.004 19.910 22.990 1.00 0.00 C ATOM 978 C MET A 60 10.823 19.865 23.983 1.00 0.00 C ATOM 979 O MET A 60 11.013 19.555 25.166 1.00 0.00 O ATOM 980 CB MET A 60 11.939 21.189 22.096 1.00 0.00 C ATOM 981 CG MET A 60 11.922 22.520 22.864 1.00 0.00 C ATOM 982 SD MET A 60 11.796 23.965 21.780 1.00 0.00 S ATOM 983 CE MET A 60 11.803 25.318 22.964 1.00 0.00 C ATOM 0 H MET A 60 11.485 18.796 21.277 1.00 0.00 H new ATOM 0 HA MET A 60 12.931 19.948 23.561 1.00 0.00 H new ATOM 0 HB2 MET A 60 12.796 21.187 21.422 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.045 21.134 21.475 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.082 22.521 23.559 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.830 22.600 23.461 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.731 26.267 22.433 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.954 25.215 23.640 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.729 25.294 23.539 1.00 0.00 H new ATOM 993 N SER A 61 9.607 20.129 23.457 1.00 0.00 N ATOM 994 CA SER A 61 8.364 20.249 24.240 1.00 0.00 C ATOM 995 C SER A 61 7.211 20.557 23.270 1.00 0.00 C ATOM 996 O SER A 61 7.434 21.184 22.224 1.00 0.00 O ATOM 997 CB SER A 61 8.478 21.380 25.301 1.00 0.00 C ATOM 998 OG SER A 61 7.301 21.489 26.092 1.00 0.00 O ATOM 0 H SER A 61 9.462 20.267 22.457 1.00 0.00 H new ATOM 0 HA SER A 61 8.180 19.314 24.770 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.333 21.185 25.948 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.667 22.329 24.800 1.00 0.00 H new ATOM 0 HG SER A 61 7.413 22.209 26.747 1.00 0.00 H new ATOM 1004 N LYS A 62 5.989 20.117 23.609 1.00 0.00 N ATOM 1005 CA LYS A 62 4.791 20.369 22.783 1.00 0.00 C ATOM 1006 C LYS A 62 3.809 21.277 23.537 1.00 0.00 C ATOM 1007 O LYS A 62 3.769 21.285 24.771 1.00 0.00 O ATOM 1008 CB LYS A 62 4.091 19.036 22.380 1.00 0.00 C ATOM 1009 CG LYS A 62 3.542 18.198 23.559 1.00 0.00 C ATOM 1010 CD LYS A 62 2.724 16.972 23.090 1.00 0.00 C ATOM 1011 CE LYS A 62 2.140 16.161 24.262 1.00 0.00 C ATOM 1012 NZ LYS A 62 1.189 16.960 25.087 1.00 0.00 N ATOM 0 H LYS A 62 5.801 19.580 24.456 1.00 0.00 H new ATOM 0 HA LYS A 62 5.111 20.870 21.870 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.267 19.267 21.704 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.801 18.426 21.821 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.374 17.860 24.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.914 18.830 24.187 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.911 17.308 22.446 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.361 16.324 22.488 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.628 15.281 23.872 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.953 15.803 24.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.684 16.330 25.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.715 17.674 25.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.503 17.434 24.465 1.00 0.00 H new ATOM 1026 N ASP A 63 3.031 22.050 22.771 1.00 0.00 N ATOM 1027 CA ASP A 63 1.925 22.887 23.288 1.00 0.00 C ATOM 1028 C ASP A 63 0.566 22.222 22.968 1.00 0.00 C ATOM 1029 O ASP A 63 -0.502 22.808 23.197 1.00 0.00 O ATOM 1030 CB ASP A 63 1.995 24.302 22.647 1.00 0.00 C ATOM 1031 CG ASP A 63 1.732 24.305 21.125 1.00 0.00 C ATOM 1032 OD1 ASP A 63 2.560 23.741 20.371 1.00 0.00 O ATOM 1033 OD2 ASP A 63 0.709 24.873 20.679 1.00 0.00 O ATOM 0 H ASP A 63 3.148 22.118 21.760 1.00 0.00 H new ATOM 0 HA ASP A 63 2.022 22.982 24.369 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.266 24.949 23.135 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.979 24.730 22.838 1.00 0.00 H new ATOM 1038 N LYS A 64 0.636 20.977 22.460 1.00 0.00 N ATOM 1039 CA LYS A 64 -0.503 20.257 21.870 1.00 0.00 C ATOM 1040 C LYS A 64 -1.036 19.208 22.874 1.00 0.00 C ATOM 1041 O LYS A 64 -0.501 18.084 22.915 1.00 0.00 O ATOM 1042 CB LYS A 64 -0.049 19.605 20.527 1.00 0.00 C ATOM 1043 CG LYS A 64 0.561 20.611 19.536 1.00 0.00 C ATOM 1044 CD LYS A 64 1.072 19.956 18.242 1.00 0.00 C ATOM 1045 CE LYS A 64 1.636 20.989 17.256 1.00 0.00 C ATOM 1046 NZ LYS A 64 2.188 20.343 16.050 1.00 0.00 N ATOM 1047 OXT LYS A 64 -1.972 19.520 23.638 1.00 0.00 O ATOM 0 H LYS A 64 1.501 20.436 22.449 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.321 20.945 21.655 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.683 18.826 20.739 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.906 19.119 20.059 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.188 21.362 19.284 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.386 21.134 20.021 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.846 19.228 18.486 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.258 19.409 17.767 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.849 21.686 16.968 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.415 21.573 17.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.180 20.630 15.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.137 19.310 16.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.637 20.633 15.217 1.00 0.00 H new TER 1061 LYS A 64