USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 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 24 HIS : no HD1:sc= -2.54 X(o=-1.8,f=-1.9) USER MOD Set 1.2: A 25 THR OG1 : rot 52:sc= 0.699 USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.0426 (180deg=-0.406) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 146:sc= 0 (180deg=-0.588) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 21 THR OG1 : rot 112:sc= 0.782 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 154:sc= -0.113 (180deg=-0.571) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.953 2.746 -2.809 1.00 43.41 N ATOM 2 CA LYS A 1 -1.346 3.663 -3.767 1.00 53.21 C ATOM 3 C LYS A 1 0.120 3.911 -3.430 1.00 25.12 C ATOM 4 O LYS A 1 0.438 4.628 -2.480 1.00 74.15 O ATOM 5 CB LYS A 1 -2.107 4.991 -3.786 1.00 35.31 C ATOM 6 CG LYS A 1 -3.611 4.828 -3.929 1.00 22.12 C ATOM 7 CD LYS A 1 -4.308 6.172 -4.049 1.00 15.54 C ATOM 8 CE LYS A 1 -5.773 6.009 -4.427 1.00 24.04 C ATOM 9 NZ LYS A 1 -5.976 6.081 -5.900 1.00 15.10 N ATOM 0 H1 LYS A 1 -2.846 2.381 -3.196 1.00 43.41 H new ATOM 0 H2 LYS A 1 -1.304 1.953 -2.628 1.00 43.41 H new ATOM 0 H3 LYS A 1 -2.142 3.249 -1.918 1.00 43.41 H new ATOM 0 HA LYS A 1 -1.401 3.205 -4.755 1.00 53.21 H new ATOM 0 HB2 LYS A 1 -1.895 5.535 -2.866 1.00 35.31 H new ATOM 0 HB3 LYS A 1 -1.736 5.601 -4.610 1.00 35.31 H new ATOM 0 HG2 LYS A 1 -3.830 4.223 -4.809 1.00 22.12 H new ATOM 0 HG3 LYS A 1 -4.003 4.289 -3.066 1.00 22.12 H new ATOM 0 HD2 LYS A 1 -4.233 6.708 -3.103 1.00 15.54 H new ATOM 0 HD3 LYS A 1 -3.803 6.779 -4.800 1.00 15.54 H new ATOM 0 HE2 LYS A 1 -6.140 5.052 -4.056 1.00 24.04 H new ATOM 0 HE3 LYS A 1 -6.362 6.786 -3.941 1.00 24.04 H new ATOM 0 HZ1 LYS A 1 -6.987 5.966 -6.117 1.00 15.10 H new ATOM 0 HZ2 LYS A 1 -5.650 7.004 -6.251 1.00 15.10 H new ATOM 0 HZ3 LYS A 1 -5.434 5.324 -6.363 1.00 15.10 H new ATOM 23 N LYS A 2 1.012 3.314 -4.214 1.00 0.31 N ATOM 24 CA LYS A 2 2.446 3.472 -4.001 1.00 32.12 C ATOM 25 C LYS A 2 3.055 4.388 -5.057 1.00 65.44 C ATOM 26 O LYS A 2 2.338 5.012 -5.840 1.00 25.14 O ATOM 27 CB LYS A 2 3.140 2.108 -4.031 1.00 14.11 C ATOM 28 CG LYS A 2 3.070 1.420 -5.383 1.00 71.02 C ATOM 29 CD LYS A 2 2.173 0.194 -5.340 1.00 13.45 C ATOM 30 CE LYS A 2 2.982 -1.084 -5.185 1.00 4.24 C ATOM 31 NZ LYS A 2 3.413 -1.631 -6.501 1.00 55.12 N ATOM 0 H LYS A 2 0.767 2.716 -5.003 1.00 0.31 H new ATOM 0 HA LYS A 2 2.595 3.927 -3.022 1.00 32.12 H new ATOM 0 HB2 LYS A 2 4.186 2.236 -3.751 1.00 14.11 H new ATOM 0 HB3 LYS A 2 2.686 1.462 -3.280 1.00 14.11 H new ATOM 0 HG2 LYS A 2 2.695 2.120 -6.129 1.00 71.02 H new ATOM 0 HG3 LYS A 2 4.072 1.128 -5.696 1.00 71.02 H new ATOM 0 HD2 LYS A 2 1.471 0.284 -4.511 1.00 13.45 H new ATOM 0 HD3 LYS A 2 1.581 0.143 -6.254 1.00 13.45 H new ATOM 0 HE2 LYS A 2 3.859 -0.886 -4.569 1.00 4.24 H new ATOM 0 HE3 LYS A 2 2.386 -1.830 -4.660 1.00 4.24 H new ATOM 0 HZ1 LYS A 2 3.962 -2.502 -6.352 1.00 55.12 H new ATOM 0 HZ2 LYS A 2 2.575 -1.844 -7.080 1.00 55.12 H new ATOM 0 HZ3 LYS A 2 4.003 -0.930 -6.992 1.00 55.12 H new ATOM 45 N ARG A 3 4.382 4.462 -5.075 1.00 63.22 N ATOM 46 CA ARG A 3 5.088 5.301 -6.036 1.00 53.12 C ATOM 47 C ARG A 3 4.660 4.971 -7.463 1.00 63.33 C ATOM 48 O ARG A 3 4.710 5.823 -8.350 1.00 50.32 O ATOM 49 CB ARG A 3 6.600 5.120 -5.890 1.00 73.15 C ATOM 50 CG ARG A 3 7.318 6.367 -5.402 1.00 23.11 C ATOM 51 CD ARG A 3 8.712 6.041 -4.887 1.00 53.43 C ATOM 52 NE ARG A 3 9.489 7.247 -4.612 1.00 62.34 N ATOM 53 CZ ARG A 3 10.666 7.238 -3.996 1.00 33.32 C ATOM 54 NH1 ARG A 3 11.198 6.092 -3.592 1.00 53.25 N ATOM 55 NH2 ARG A 3 11.313 8.376 -3.782 1.00 12.21 N ATOM 0 H ARG A 3 4.990 3.951 -4.435 1.00 63.22 H new ATOM 0 HA ARG A 3 4.833 6.340 -5.830 1.00 53.12 H new ATOM 0 HB2 ARG A 3 6.794 4.304 -5.194 1.00 73.15 H new ATOM 0 HB3 ARG A 3 7.017 4.824 -6.853 1.00 73.15 H new ATOM 0 HG2 ARG A 3 7.389 7.089 -6.215 1.00 23.11 H new ATOM 0 HG3 ARG A 3 6.736 6.836 -4.609 1.00 23.11 H new ATOM 0 HD2 ARG A 3 8.633 5.446 -3.977 1.00 53.43 H new ATOM 0 HD3 ARG A 3 9.237 5.431 -5.622 1.00 53.43 H new ATOM 0 HE ARG A 3 9.107 8.145 -4.909 1.00 62.34 H new ATOM 0 HH11 ARG A 3 10.703 5.215 -3.754 1.00 53.25 H new ATOM 0 HH12 ARG A 3 12.102 6.088 -3.119 1.00 53.25 H new ATOM 0 HH21 ARG A 3 10.907 9.259 -4.090 1.00 12.21 H new ATOM 0 HH22 ARG A 3 12.217 8.368 -3.309 1.00 12.21 H new ATOM 69 N TYR A 4 4.241 3.729 -7.677 1.00 63.51 N ATOM 70 CA TYR A 4 3.808 3.284 -8.997 1.00 0.54 C ATOM 71 C TYR A 4 2.286 3.302 -9.105 1.00 23.11 C ATOM 72 O TYR A 4 1.694 2.493 -9.819 1.00 54.11 O ATOM 73 CB TYR A 4 4.335 1.877 -9.283 1.00 13.24 C ATOM 74 CG TYR A 4 5.840 1.807 -9.403 1.00 23.11 C ATOM 75 CD1 TYR A 4 6.491 2.299 -10.528 1.00 31.43 C ATOM 76 CD2 TYR A 4 6.612 1.250 -8.391 1.00 23.42 C ATOM 77 CE1 TYR A 4 7.866 2.236 -10.642 1.00 22.41 C ATOM 78 CE2 TYR A 4 7.988 1.184 -8.496 1.00 22.21 C ATOM 79 CZ TYR A 4 8.610 1.678 -9.623 1.00 64.35 C ATOM 80 OH TYR A 4 9.981 1.614 -9.733 1.00 14.51 O ATOM 0 H TYR A 4 4.192 3.012 -6.953 1.00 63.51 H new ATOM 0 HA TYR A 4 4.215 3.973 -9.737 1.00 0.54 H new ATOM 0 HB2 TYR A 4 4.011 1.208 -8.486 1.00 13.24 H new ATOM 0 HB3 TYR A 4 3.888 1.512 -10.207 1.00 13.24 H new ATOM 0 HD1 TYR A 4 5.912 2.738 -11.327 1.00 31.43 H new ATOM 0 HD2 TYR A 4 6.128 0.862 -7.507 1.00 23.42 H new ATOM 0 HE1 TYR A 4 8.356 2.621 -11.524 1.00 22.41 H new ATOM 0 HE2 TYR A 4 8.573 0.748 -7.700 1.00 22.21 H new ATOM 0 HH TYR A 4 10.354 1.194 -8.930 1.00 14.51 H new ATOM 90 N VAL A 5 1.659 4.231 -8.390 1.00 44.14 N ATOM 91 CA VAL A 5 0.207 4.357 -8.406 1.00 71.02 C ATOM 92 C VAL A 5 -0.219 5.817 -8.299 1.00 35.31 C ATOM 93 O VAL A 5 -1.012 6.303 -9.105 1.00 1.32 O ATOM 94 CB VAL A 5 -0.438 3.559 -7.257 1.00 51.32 C ATOM 95 CG1 VAL A 5 -1.950 3.728 -7.273 1.00 23.12 C ATOM 96 CG2 VAL A 5 -0.056 2.090 -7.349 1.00 72.34 C ATOM 0 H VAL A 5 2.134 4.907 -7.792 1.00 44.14 H new ATOM 0 HA VAL A 5 -0.136 3.951 -9.358 1.00 71.02 H new ATOM 0 HB VAL A 5 -0.063 3.949 -6.311 1.00 51.32 H new ATOM 0 HG11 VAL A 5 -2.389 3.157 -6.454 1.00 23.12 H new ATOM 0 HG12 VAL A 5 -2.200 4.782 -7.155 1.00 23.12 H new ATOM 0 HG13 VAL A 5 -2.347 3.365 -8.221 1.00 23.12 H new ATOM 0 HG21 VAL A 5 -0.520 1.541 -6.530 1.00 72.34 H new ATOM 0 HG22 VAL A 5 -0.401 1.683 -8.300 1.00 72.34 H new ATOM 0 HG23 VAL A 5 1.028 1.991 -7.284 1.00 72.34 H new ATOM 106 N ALA A 6 0.312 6.511 -7.298 1.00 24.30 N ATOM 107 CA ALA A 6 -0.011 7.916 -7.086 1.00 41.13 C ATOM 108 C ALA A 6 1.025 8.823 -7.743 1.00 33.41 C ATOM 109 O ALA A 6 1.199 9.973 -7.342 1.00 42.02 O ATOM 110 CB ALA A 6 -0.110 8.217 -5.598 1.00 74.51 C ATOM 0 H ALA A 6 0.968 6.123 -6.621 1.00 24.30 H new ATOM 0 HA ALA A 6 -0.977 8.115 -7.551 1.00 41.13 H new ATOM 0 HB1 ALA A 6 -0.352 9.270 -5.455 1.00 74.51 H new ATOM 0 HB2 ALA A 6 -0.892 7.602 -5.154 1.00 74.51 H new ATOM 0 HB3 ALA A 6 0.843 7.995 -5.118 1.00 74.51 H new ATOM 116 N MET A 7 1.710 8.296 -8.753 1.00 13.22 N ATOM 117 CA MET A 7 2.728 9.059 -9.465 1.00 2.32 C ATOM 118 C MET A 7 2.838 8.599 -10.915 1.00 32.21 C ATOM 119 O MET A 7 3.856 8.818 -11.571 1.00 23.10 O ATOM 120 CB MET A 7 4.083 8.916 -8.768 1.00 51.44 C ATOM 121 CG MET A 7 4.910 10.191 -8.782 1.00 5.44 C ATOM 122 SD MET A 7 5.207 10.844 -7.127 1.00 52.33 S ATOM 123 CE MET A 7 3.869 12.027 -6.985 1.00 62.14 C ATOM 0 H MET A 7 1.578 7.345 -9.096 1.00 13.22 H new ATOM 0 HA MET A 7 2.432 10.108 -9.457 1.00 2.32 H new ATOM 0 HB2 MET A 7 3.920 8.609 -7.735 1.00 51.44 H new ATOM 0 HB3 MET A 7 4.649 8.120 -9.252 1.00 51.44 H new ATOM 0 HG2 MET A 7 5.866 9.994 -9.268 1.00 5.44 H new ATOM 0 HG3 MET A 7 4.398 10.945 -9.380 1.00 5.44 H new ATOM 0 HE1 MET A 7 3.525 12.065 -5.951 1.00 62.14 H new ATOM 0 HE2 MET A 7 4.222 13.013 -7.286 1.00 62.14 H new ATOM 0 HE3 MET A 7 3.045 11.724 -7.631 1.00 62.14 H new ATOM 133 N VAL A 8 1.783 7.959 -11.410 1.00 14.34 N ATOM 134 CA VAL A 8 1.760 7.469 -12.782 1.00 64.34 C ATOM 135 C VAL A 8 0.556 8.014 -13.541 1.00 71.04 C ATOM 136 O VAL A 8 0.641 8.302 -14.736 1.00 13.14 O ATOM 137 CB VAL A 8 1.728 5.929 -12.828 1.00 2.52 C ATOM 138 CG1 VAL A 8 0.502 5.399 -12.100 1.00 4.11 C ATOM 139 CG2 VAL A 8 1.757 5.439 -14.267 1.00 64.34 C ATOM 0 H VAL A 8 0.933 7.768 -10.880 1.00 14.34 H new ATOM 0 HA VAL A 8 2.675 7.821 -13.258 1.00 64.34 H new ATOM 0 HB VAL A 8 2.615 5.549 -12.321 1.00 2.52 H new ATOM 0 HG11 VAL A 8 0.496 4.310 -12.143 1.00 4.11 H new ATOM 0 HG12 VAL A 8 0.529 5.721 -11.059 1.00 4.11 H new ATOM 0 HG13 VAL A 8 -0.399 5.786 -12.576 1.00 4.11 H new ATOM 0 HG21 VAL A 8 1.734 4.349 -14.281 1.00 64.34 H new ATOM 0 HG22 VAL A 8 0.890 5.827 -14.801 1.00 64.34 H new ATOM 0 HG23 VAL A 8 2.668 5.789 -14.752 1.00 64.34 H new ATOM 149 N ILE A 9 -0.564 8.154 -12.841 1.00 33.53 N ATOM 150 CA ILE A 9 -1.786 8.666 -13.448 1.00 50.04 C ATOM 151 C ILE A 9 -1.920 10.169 -13.229 1.00 53.13 C ATOM 152 O ILE A 9 -2.578 10.863 -14.005 1.00 3.22 O ATOM 153 CB ILE A 9 -3.034 7.963 -12.883 1.00 30.31 C ATOM 154 CG1 ILE A 9 -2.849 6.444 -12.914 1.00 44.23 C ATOM 155 CG2 ILE A 9 -4.272 8.367 -13.669 1.00 41.05 C ATOM 156 CD1 ILE A 9 -4.014 5.681 -12.326 1.00 34.13 C ATOM 0 H ILE A 9 -0.651 7.920 -11.852 1.00 33.53 H new ATOM 0 HA ILE A 9 -1.717 8.461 -14.516 1.00 50.04 H new ATOM 0 HB ILE A 9 -3.169 8.273 -11.847 1.00 30.31 H new ATOM 0 HG12 ILE A 9 -2.700 6.125 -13.946 1.00 44.23 H new ATOM 0 HG13 ILE A 9 -1.943 6.185 -12.367 1.00 44.23 H new ATOM 0 HG21 ILE A 9 -5.145 7.862 -13.257 1.00 41.05 H new ATOM 0 HG22 ILE A 9 -4.411 9.446 -13.600 1.00 41.05 H new ATOM 0 HG23 ILE A 9 -4.148 8.083 -14.714 1.00 41.05 H new ATOM 0 HD11 ILE A 9 -3.813 4.611 -12.382 1.00 34.13 H new ATOM 0 HD12 ILE A 9 -4.150 5.971 -11.284 1.00 34.13 H new ATOM 0 HD13 ILE A 9 -4.920 5.910 -12.888 1.00 34.13 H new ATOM 168 N TRP A 10 -1.292 10.665 -12.170 1.00 1.22 N ATOM 169 CA TRP A 10 -1.340 12.087 -11.850 1.00 3.35 C ATOM 170 C TRP A 10 -0.686 12.915 -12.950 1.00 42.41 C ATOM 171 O TRP A 10 -1.012 14.089 -13.135 1.00 22.23 O ATOM 172 CB TRP A 10 -0.645 12.354 -10.513 1.00 34.31 C ATOM 173 CG TRP A 10 -1.589 12.386 -9.349 1.00 74.22 C ATOM 174 CD1 TRP A 10 -1.885 13.463 -8.564 1.00 35.14 C ATOM 175 CD2 TRP A 10 -2.359 11.291 -8.839 1.00 44.24 C ATOM 176 NE1 TRP A 10 -2.793 13.104 -7.596 1.00 25.21 N ATOM 177 CE2 TRP A 10 -3.099 11.777 -7.744 1.00 54.11 C ATOM 178 CE3 TRP A 10 -2.496 9.949 -9.202 1.00 65.25 C ATOM 179 CZ2 TRP A 10 -3.962 10.966 -7.011 1.00 4.44 C ATOM 180 CZ3 TRP A 10 -3.351 9.145 -8.473 1.00 54.43 C ATOM 181 CH2 TRP A 10 -4.076 9.656 -7.388 1.00 50.12 C ATOM 0 H TRP A 10 -0.744 10.104 -11.518 1.00 1.22 H new ATOM 0 HA TRP A 10 -2.387 12.381 -11.773 1.00 3.35 H new ATOM 0 HB2 TRP A 10 0.106 11.583 -10.342 1.00 34.31 H new ATOM 0 HB3 TRP A 10 -0.117 13.306 -10.570 1.00 34.31 H new ATOM 0 HD1 TRP A 10 -1.467 14.452 -8.685 1.00 35.14 H new ATOM 0 HE1 TRP A 10 -3.176 13.725 -6.883 1.00 25.21 H new ATOM 0 HE3 TRP A 10 -1.943 9.547 -10.038 1.00 65.25 H new ATOM 0 HZ2 TRP A 10 -4.522 11.358 -6.174 1.00 4.44 H new ATOM 0 HZ3 TRP A 10 -3.462 8.105 -8.744 1.00 54.43 H new ATOM 0 HH2 TRP A 10 -4.738 9.003 -6.839 1.00 50.12 H new ATOM 192 N LEU A 11 0.238 12.299 -13.679 1.00 32.40 N ATOM 193 CA LEU A 11 0.938 12.980 -14.763 1.00 33.53 C ATOM 194 C LEU A 11 0.454 12.482 -16.121 1.00 21.30 C ATOM 195 O LEU A 11 0.530 13.198 -17.119 1.00 42.33 O ATOM 196 CB LEU A 11 2.447 12.765 -14.636 1.00 31.41 C ATOM 197 CG LEU A 11 3.056 13.074 -13.268 1.00 43.11 C ATOM 198 CD1 LEU A 11 3.954 11.934 -12.813 1.00 60.23 C ATOM 199 CD2 LEU A 11 3.834 14.382 -13.314 1.00 33.51 C ATOM 0 H LEU A 11 0.520 11.329 -13.539 1.00 32.40 H new ATOM 0 HA LEU A 11 0.722 14.046 -14.690 1.00 33.53 H new ATOM 0 HB2 LEU A 11 2.668 11.727 -14.884 1.00 31.41 H new ATOM 0 HB3 LEU A 11 2.946 13.384 -15.382 1.00 31.41 H new ATOM 0 HG LEU A 11 2.246 13.181 -12.547 1.00 43.11 H new ATOM 0 HD11 LEU A 11 4.378 12.172 -11.838 1.00 60.23 H new ATOM 0 HD12 LEU A 11 3.369 11.017 -12.740 1.00 60.23 H new ATOM 0 HD13 LEU A 11 4.759 11.795 -13.535 1.00 60.23 H new ATOM 0 HD21 LEU A 11 4.261 14.586 -12.332 1.00 33.51 H new ATOM 0 HD22 LEU A 11 4.635 14.303 -14.048 1.00 33.51 H new ATOM 0 HD23 LEU A 11 3.164 15.194 -13.595 1.00 33.51 H new ATOM 211 N TYR A 12 -0.045 11.251 -16.151 1.00 11.15 N ATOM 212 CA TYR A 12 -0.541 10.657 -17.386 1.00 54.12 C ATOM 213 C TYR A 12 -1.616 11.536 -18.020 1.00 23.41 C ATOM 214 O TYR A 12 -1.828 11.499 -19.232 1.00 1.42 O ATOM 215 CB TYR A 12 -1.103 9.260 -17.116 1.00 12.45 C ATOM 216 CG TYR A 12 -1.781 8.637 -18.315 1.00 43.31 C ATOM 217 CD1 TYR A 12 -3.129 8.860 -18.570 1.00 25.14 C ATOM 218 CD2 TYR A 12 -1.074 7.826 -19.193 1.00 63.54 C ATOM 219 CE1 TYR A 12 -3.752 8.292 -19.664 1.00 11.31 C ATOM 220 CE2 TYR A 12 -1.689 7.255 -20.291 1.00 4.00 C ATOM 221 CZ TYR A 12 -3.028 7.491 -20.522 1.00 2.12 C ATOM 222 OH TYR A 12 -3.644 6.923 -21.613 1.00 54.43 O ATOM 0 H TYR A 12 -0.117 10.645 -15.333 1.00 11.15 H new ATOM 0 HA TYR A 12 0.295 10.577 -18.081 1.00 54.12 H new ATOM 0 HB2 TYR A 12 -0.293 8.609 -16.789 1.00 12.45 H new ATOM 0 HB3 TYR A 12 -1.817 9.318 -16.295 1.00 12.45 H new ATOM 0 HD1 TYR A 12 -3.699 9.488 -17.901 1.00 25.14 H new ATOM 0 HD2 TYR A 12 -0.025 7.638 -19.015 1.00 63.54 H new ATOM 0 HE1 TYR A 12 -4.801 8.474 -19.847 1.00 11.31 H new ATOM 0 HE2 TYR A 12 -1.124 6.627 -20.964 1.00 4.00 H new ATOM 0 HH TYR A 12 -2.993 6.389 -22.115 1.00 54.43 H new ATOM 232 N SER A 13 -2.290 12.325 -17.190 1.00 53.23 N ATOM 233 CA SER A 13 -3.345 13.212 -17.667 1.00 73.23 C ATOM 234 C SER A 13 -3.036 14.663 -17.314 1.00 13.34 C ATOM 235 O SER A 13 -3.941 15.485 -17.171 1.00 32.02 O ATOM 236 CB SER A 13 -4.693 12.805 -17.068 1.00 24.43 C ATOM 237 OG SER A 13 -5.745 13.004 -17.995 1.00 40.45 O ATOM 0 H SER A 13 -2.125 12.368 -16.184 1.00 53.23 H new ATOM 0 HA SER A 13 -3.396 13.124 -18.752 1.00 73.23 H new ATOM 0 HB2 SER A 13 -4.660 11.757 -16.770 1.00 24.43 H new ATOM 0 HB3 SER A 13 -4.884 13.387 -16.166 1.00 24.43 H new ATOM 0 HG SER A 13 -6.595 12.735 -17.588 1.00 40.45 H new ATOM 243 N ALA A 14 -1.751 14.971 -17.174 1.00 21.11 N ATOM 244 CA ALA A 14 -1.321 16.323 -16.839 1.00 20.20 C ATOM 245 C ALA A 14 -0.225 16.801 -17.786 1.00 33.23 C ATOM 246 O ALA A 14 -0.319 17.884 -18.363 1.00 4.43 O ATOM 247 CB ALA A 14 -0.838 16.381 -15.397 1.00 50.23 C ATOM 0 H ALA A 14 -0.989 14.302 -17.287 1.00 21.11 H new ATOM 0 HA ALA A 14 -2.177 16.988 -16.951 1.00 20.20 H new ATOM 0 HB1 ALA A 14 -0.520 17.396 -15.160 1.00 50.23 H new ATOM 0 HB2 ALA A 14 -1.649 16.090 -14.730 1.00 50.23 H new ATOM 0 HB3 ALA A 14 0.002 15.698 -15.267 1.00 50.23 H new ATOM 253 N PHE A 15 0.813 15.986 -17.941 1.00 2.24 N ATOM 254 CA PHE A 15 1.928 16.327 -18.816 1.00 42.05 C ATOM 255 C PHE A 15 1.565 16.085 -20.279 1.00 11.14 C ATOM 256 O PHE A 15 2.030 16.795 -21.170 1.00 52.25 O ATOM 257 CB PHE A 15 3.166 15.508 -18.444 1.00 74.44 C ATOM 258 CG PHE A 15 4.190 16.287 -17.671 1.00 45.00 C ATOM 259 CD1 PHE A 15 3.873 16.847 -16.444 1.00 24.21 C ATOM 260 CD2 PHE A 15 5.471 16.460 -18.172 1.00 11.35 C ATOM 261 CE1 PHE A 15 4.814 17.564 -15.729 1.00 43.45 C ATOM 262 CE2 PHE A 15 6.416 17.176 -17.461 1.00 51.45 C ATOM 263 CZ PHE A 15 6.087 17.730 -16.240 1.00 11.24 C ATOM 0 H PHE A 15 0.905 15.085 -17.472 1.00 2.24 H new ATOM 0 HA PHE A 15 2.149 17.386 -18.685 1.00 42.05 H new ATOM 0 HB2 PHE A 15 2.857 14.645 -17.855 1.00 74.44 H new ATOM 0 HB3 PHE A 15 3.625 15.124 -19.355 1.00 74.44 H new ATOM 0 HD1 PHE A 15 2.879 16.722 -16.041 1.00 24.21 H new ATOM 0 HD2 PHE A 15 5.733 16.031 -19.128 1.00 11.35 H new ATOM 0 HE1 PHE A 15 4.555 17.994 -14.773 1.00 43.45 H new ATOM 0 HE2 PHE A 15 7.411 17.302 -17.861 1.00 51.45 H new ATOM 0 HZ PHE A 15 6.823 18.292 -15.685 1.00 11.24 H new ATOM 273 N ARG A 16 0.732 15.077 -20.516 1.00 54.41 N ATOM 274 CA ARG A 16 0.307 14.740 -21.869 1.00 70.14 C ATOM 275 C ARG A 16 -0.313 15.950 -22.562 1.00 64.14 C ATOM 276 O ARG A 16 -0.280 16.061 -23.787 1.00 63.12 O ATOM 277 CB ARG A 16 -0.698 13.586 -21.839 1.00 5.52 C ATOM 278 CG ARG A 16 -0.051 12.220 -21.686 1.00 62.51 C ATOM 279 CD ARG A 16 0.512 11.719 -23.007 1.00 5.10 C ATOM 280 NE ARG A 16 -0.521 11.134 -23.856 1.00 74.32 N ATOM 281 CZ ARG A 16 -0.265 10.296 -24.855 1.00 40.41 C ATOM 282 NH1 ARG A 16 0.985 9.948 -25.128 1.00 32.20 N ATOM 283 NH2 ARG A 16 -1.260 9.806 -25.583 1.00 61.40 N ATOM 0 H ARG A 16 0.338 14.480 -19.789 1.00 54.41 H new ATOM 0 HA ARG A 16 1.188 14.432 -22.433 1.00 70.14 H new ATOM 0 HB2 ARG A 16 -1.395 13.743 -21.015 1.00 5.52 H new ATOM 0 HB3 ARG A 16 -1.283 13.601 -22.759 1.00 5.52 H new ATOM 0 HG2 ARG A 16 0.748 12.275 -20.946 1.00 62.51 H new ATOM 0 HG3 ARG A 16 -0.786 11.508 -21.309 1.00 62.51 H new ATOM 0 HD2 ARG A 16 0.989 12.545 -23.534 1.00 5.10 H new ATOM 0 HD3 ARG A 16 1.285 10.976 -22.813 1.00 5.10 H new ATOM 0 HE ARG A 16 -1.493 11.382 -23.672 1.00 74.32 H new ATOM 0 HH11 ARG A 16 1.752 10.324 -24.571 1.00 32.20 H new ATOM 0 HH12 ARG A 16 1.179 9.305 -25.895 1.00 32.20 H new ATOM 0 HH21 ARG A 16 -2.223 10.072 -25.376 1.00 61.40 H new ATOM 0 HH22 ARG A 16 -1.062 9.163 -26.350 1.00 61.40 H new ATOM 297 N GLY A 17 -0.878 16.855 -21.769 1.00 70.11 N ATOM 298 CA GLY A 17 -1.498 18.044 -22.324 1.00 3.11 C ATOM 299 C GLY A 17 -0.481 19.026 -22.872 1.00 21.23 C ATOM 300 O GLY A 17 -0.816 19.891 -23.681 1.00 2.35 O ATOM 0 H GLY A 17 -0.917 16.786 -20.752 1.00 70.11 H new ATOM 0 HA2 GLY A 17 -2.184 17.754 -23.120 1.00 3.11 H new ATOM 0 HA3 GLY A 17 -2.093 18.534 -21.553 1.00 3.11 H new ATOM 304 N VAL A 18 0.766 18.893 -22.429 1.00 54.22 N ATOM 305 CA VAL A 18 1.835 19.776 -22.880 1.00 12.02 C ATOM 306 C VAL A 18 2.775 19.055 -23.840 1.00 15.50 C ATOM 307 O VAL A 18 3.133 19.589 -24.889 1.00 70.15 O ATOM 308 CB VAL A 18 2.651 20.321 -21.692 1.00 73.24 C ATOM 309 CG1 VAL A 18 3.622 21.394 -22.159 1.00 42.05 C ATOM 310 CG2 VAL A 18 1.725 20.861 -20.614 1.00 15.55 C ATOM 0 H VAL A 18 1.060 18.183 -21.759 1.00 54.22 H new ATOM 0 HA VAL A 18 1.360 20.609 -23.398 1.00 12.02 H new ATOM 0 HB VAL A 18 3.230 19.502 -21.265 1.00 73.24 H new ATOM 0 HG11 VAL A 18 4.189 21.767 -21.306 1.00 42.05 H new ATOM 0 HG12 VAL A 18 4.307 20.970 -22.893 1.00 42.05 H new ATOM 0 HG13 VAL A 18 3.067 22.215 -22.612 1.00 42.05 H new ATOM 0 HG21 VAL A 18 2.318 21.242 -19.782 1.00 15.55 H new ATOM 0 HG22 VAL A 18 1.118 21.667 -21.026 1.00 15.55 H new ATOM 0 HG23 VAL A 18 1.074 20.062 -20.259 1.00 15.55 H new ATOM 320 N GLN A 19 3.169 17.841 -23.473 1.00 21.51 N ATOM 321 CA GLN A 19 4.068 17.047 -24.302 1.00 71.34 C ATOM 322 C GLN A 19 3.319 16.428 -25.479 1.00 3.34 C ATOM 323 O GLN A 19 3.246 15.206 -25.608 1.00 65.51 O ATOM 324 CB GLN A 19 4.728 15.948 -23.468 1.00 64.44 C ATOM 325 CG GLN A 19 5.845 16.454 -22.569 1.00 52.15 C ATOM 326 CD GLN A 19 6.819 15.361 -22.176 1.00 73.11 C ATOM 327 OE1 GLN A 19 6.841 14.917 -21.028 1.00 34.31 O ATOM 328 NE2 GLN A 19 7.631 14.920 -23.130 1.00 2.44 N ATOM 0 H GLN A 19 2.880 17.385 -22.607 1.00 21.51 H new ATOM 0 HA GLN A 19 4.840 17.709 -24.694 1.00 71.34 H new ATOM 0 HB2 GLN A 19 3.969 15.465 -22.853 1.00 64.44 H new ATOM 0 HB3 GLN A 19 5.128 15.186 -24.137 1.00 64.44 H new ATOM 0 HG2 GLN A 19 6.386 17.250 -23.081 1.00 52.15 H new ATOM 0 HG3 GLN A 19 5.412 16.890 -21.669 1.00 52.15 H new ATOM 0 HE21 GLN A 19 7.578 15.317 -24.068 1.00 2.44 H new ATOM 0 HE22 GLN A 19 8.307 14.185 -22.924 1.00 2.44 H new ATOM 337 N LEU A 20 2.764 17.280 -26.333 1.00 52.04 N ATOM 338 CA LEU A 20 2.020 16.817 -27.500 1.00 12.42 C ATOM 339 C LEU A 20 1.506 17.996 -28.321 1.00 31.15 C ATOM 340 O LEU A 20 1.596 17.998 -29.549 1.00 35.12 O ATOM 341 CB LEU A 20 0.849 15.935 -27.065 1.00 35.30 C ATOM 342 CG LEU A 20 -0.205 15.643 -28.134 1.00 61.42 C ATOM 343 CD1 LEU A 20 -0.375 14.143 -28.320 1.00 70.12 C ATOM 344 CD2 LEU A 20 -1.532 16.290 -27.766 1.00 41.23 C ATOM 0 H LEU A 20 2.815 18.294 -26.240 1.00 52.04 H new ATOM 0 HA LEU A 20 2.696 16.232 -28.123 1.00 12.42 H new ATOM 0 HB2 LEU A 20 1.248 14.986 -26.708 1.00 35.30 H new ATOM 0 HB3 LEU A 20 0.356 16.412 -26.218 1.00 35.30 H new ATOM 0 HG LEU A 20 0.135 16.070 -29.078 1.00 61.42 H new ATOM 0 HD11 LEU A 20 -1.129 13.954 -29.084 1.00 70.12 H new ATOM 0 HD12 LEU A 20 0.574 13.705 -28.630 1.00 70.12 H new ATOM 0 HD13 LEU A 20 -0.692 13.693 -27.379 1.00 70.12 H new ATOM 0 HD21 LEU A 20 -2.270 16.072 -28.538 1.00 41.23 H new ATOM 0 HD22 LEU A 20 -1.878 15.894 -26.811 1.00 41.23 H new ATOM 0 HD23 LEU A 20 -1.401 17.369 -27.685 1.00 41.23 H new ATOM 356 N THR A 21 0.969 18.999 -27.634 1.00 14.44 N ATOM 357 CA THR A 21 0.441 20.185 -28.298 1.00 64.41 C ATOM 358 C THR A 21 1.566 21.120 -28.728 1.00 71.43 C ATOM 359 O THR A 21 1.324 22.147 -29.362 1.00 73.02 O ATOM 360 CB THR A 21 -0.531 20.955 -27.385 1.00 4.12 C ATOM 361 OG1 THR A 21 -1.179 20.050 -26.484 1.00 64.24 O ATOM 362 CG2 THR A 21 -1.575 21.695 -28.207 1.00 61.55 C ATOM 0 H THR A 21 0.888 19.014 -26.617 1.00 14.44 H new ATOM 0 HA THR A 21 -0.099 19.840 -29.180 1.00 64.41 H new ATOM 0 HB THR A 21 0.043 21.685 -26.815 1.00 4.12 H new ATOM 0 HG1 THR A 21 -0.876 20.226 -25.569 1.00 64.24 H new ATOM 0 HG21 THR A 21 -2.250 22.231 -27.540 1.00 61.55 H new ATOM 0 HG22 THR A 21 -1.080 22.405 -28.870 1.00 61.55 H new ATOM 0 HG23 THR A 21 -2.144 20.980 -28.801 1.00 61.55 H new ATOM 370 N TYR A 22 2.796 20.757 -28.381 1.00 14.44 N ATOM 371 CA TYR A 22 3.958 21.566 -28.730 1.00 31.53 C ATOM 372 C TYR A 22 5.038 20.711 -29.387 1.00 12.50 C ATOM 373 O TYR A 22 5.780 21.184 -30.247 1.00 53.41 O ATOM 374 CB TYR A 22 4.522 22.250 -27.484 1.00 11.53 C ATOM 375 CG TYR A 22 5.436 23.414 -27.794 1.00 1.22 C ATOM 376 CD1 TYR A 22 5.094 24.354 -28.759 1.00 20.51 C ATOM 377 CD2 TYR A 22 6.642 23.574 -27.123 1.00 21.12 C ATOM 378 CE1 TYR A 22 5.926 25.418 -29.046 1.00 44.12 C ATOM 379 CE2 TYR A 22 7.480 24.636 -27.403 1.00 11.05 C ATOM 380 CZ TYR A 22 7.118 25.555 -28.365 1.00 51.21 C ATOM 381 OH TYR A 22 7.950 26.614 -28.648 1.00 24.24 O ATOM 0 H TYR A 22 3.014 19.908 -27.859 1.00 14.44 H new ATOM 0 HA TYR A 22 3.639 22.328 -29.441 1.00 31.53 H new ATOM 0 HB2 TYR A 22 3.695 22.602 -26.867 1.00 11.53 H new ATOM 0 HB3 TYR A 22 5.070 21.516 -26.893 1.00 11.53 H new ATOM 0 HD1 TYR A 22 4.161 24.250 -29.294 1.00 20.51 H new ATOM 0 HD2 TYR A 22 6.929 22.856 -26.369 1.00 21.12 H new ATOM 0 HE1 TYR A 22 5.645 26.139 -29.799 1.00 44.12 H new ATOM 0 HE2 TYR A 22 8.414 24.746 -26.871 1.00 11.05 H new ATOM 0 HH TYR A 22 8.747 26.565 -28.080 1.00 24.24 H new ATOM 391 N GLU A 23 5.118 19.450 -28.975 1.00 10.12 N ATOM 392 CA GLU A 23 6.107 18.529 -29.523 1.00 51.41 C ATOM 393 C GLU A 23 6.069 18.536 -31.049 1.00 21.34 C ATOM 394 O GLU A 23 7.094 18.354 -31.707 1.00 51.40 O ATOM 395 CB GLU A 23 5.861 17.112 -29.002 1.00 0.03 C ATOM 396 CG GLU A 23 4.739 16.385 -29.723 1.00 34.55 C ATOM 397 CD GLU A 23 4.529 14.975 -29.204 1.00 5.00 C ATOM 398 OE1 GLU A 23 5.193 14.602 -28.214 1.00 72.21 O ATOM 399 OE2 GLU A 23 3.702 14.245 -29.789 1.00 14.23 O ATOM 0 H GLU A 23 4.510 19.043 -28.264 1.00 10.12 H new ATOM 0 HA GLU A 23 7.094 18.860 -29.199 1.00 51.41 H new ATOM 0 HB2 GLU A 23 6.779 16.533 -29.100 1.00 0.03 H new ATOM 0 HB3 GLU A 23 5.627 17.160 -27.939 1.00 0.03 H new ATOM 0 HG2 GLU A 23 3.814 16.951 -29.612 1.00 34.55 H new ATOM 0 HG3 GLU A 23 4.962 16.346 -30.789 1.00 34.55 H new ATOM 406 N HIS A 24 4.880 18.745 -31.604 1.00 72.14 N ATOM 407 CA HIS A 24 4.707 18.775 -33.052 1.00 63.15 C ATOM 408 C HIS A 24 5.683 19.756 -33.696 1.00 13.14 C ATOM 409 O HIS A 24 6.227 19.494 -34.769 1.00 11.21 O ATOM 410 CB HIS A 24 3.271 19.159 -33.408 1.00 73.22 C ATOM 411 CG HIS A 24 2.900 20.547 -32.986 1.00 35.01 C ATOM 412 ND1 HIS A 24 2.683 21.573 -33.881 1.00 12.32 N ATOM 413 CD2 HIS A 24 2.705 21.076 -31.755 1.00 62.31 C ATOM 414 CE1 HIS A 24 2.373 22.674 -33.219 1.00 30.32 C ATOM 415 NE2 HIS A 24 2.379 22.399 -31.927 1.00 22.50 N ATOM 0 H HIS A 24 4.022 18.896 -31.073 1.00 72.14 H new ATOM 0 HA HIS A 24 4.914 17.777 -33.438 1.00 63.15 H new ATOM 0 HB2 HIS A 24 3.136 19.067 -34.486 1.00 73.22 H new ATOM 0 HB3 HIS A 24 2.588 18.451 -32.940 1.00 73.22 H new ATOM 0 HD2 HIS A 24 2.790 20.555 -30.813 1.00 62.31 H new ATOM 0 HE1 HIS A 24 2.152 23.635 -33.659 1.00 30.32 H new ATOM 0 HE2 HIS A 24 2.175 23.061 -31.179 1.00 22.50 H new ATOM 423 N THR A 25 5.899 20.888 -33.033 1.00 3.20 N ATOM 424 CA THR A 25 6.807 21.909 -33.540 1.00 50.25 C ATOM 425 C THR A 25 7.434 22.703 -32.400 1.00 50.33 C ATOM 426 O THR A 25 6.913 23.741 -31.995 1.00 15.55 O ATOM 427 CB THR A 25 6.084 22.882 -34.491 1.00 74.42 C ATOM 428 OG1 THR A 25 5.065 23.595 -33.781 1.00 23.24 O ATOM 429 CG2 THR A 25 5.463 22.133 -35.661 1.00 43.33 C ATOM 0 H THR A 25 5.457 21.121 -32.144 1.00 3.20 H new ATOM 0 HA THR A 25 7.591 21.389 -34.091 1.00 50.25 H new ATOM 0 HB THR A 25 6.818 23.588 -34.879 1.00 74.42 H new ATOM 0 HG1 THR A 25 5.449 23.997 -32.974 1.00 23.24 H new ATOM 0 HG21 THR A 25 4.958 22.840 -36.319 1.00 43.33 H new ATOM 0 HG22 THR A 25 6.244 21.614 -36.217 1.00 43.33 H new ATOM 0 HG23 THR A 25 4.741 21.407 -35.286 1.00 43.33 H new ATOM 437 N MET A 26 8.556 22.209 -31.888 1.00 20.31 N ATOM 438 CA MET A 26 9.255 22.874 -30.795 1.00 1.52 C ATOM 439 C MET A 26 10.742 22.534 -30.813 1.00 51.21 C ATOM 440 O MET A 26 11.590 23.400 -30.595 1.00 1.34 O ATOM 441 CB MET A 26 8.645 22.473 -29.451 1.00 35.22 C ATOM 442 CG MET A 26 8.620 20.971 -29.219 1.00 25.31 C ATOM 443 SD MET A 26 9.954 20.413 -28.141 1.00 63.25 S ATOM 444 CE MET A 26 9.466 21.155 -26.586 1.00 73.51 C ATOM 0 H MET A 26 9.001 21.350 -32.213 1.00 20.31 H new ATOM 0 HA MET A 26 9.145 23.950 -30.929 1.00 1.52 H new ATOM 0 HB2 MET A 26 9.211 22.947 -28.649 1.00 35.22 H new ATOM 0 HB3 MET A 26 7.627 22.858 -29.394 1.00 35.22 H new ATOM 0 HG2 MET A 26 7.662 20.691 -28.780 1.00 25.31 H new ATOM 0 HG3 MET A 26 8.694 20.458 -30.178 1.00 25.31 H new ATOM 0 HE1 MET A 26 9.874 20.572 -25.761 1.00 73.51 H new ATOM 0 HE2 MET A 26 9.848 22.175 -26.534 1.00 73.51 H new ATOM 0 HE3 MET A 26 8.378 21.171 -26.516 1.00 73.51 H new ATOM 454 N LEU A 27 11.051 21.269 -31.074 1.00 44.14 N ATOM 455 CA LEU A 27 12.437 20.814 -31.121 1.00 12.31 C ATOM 456 C LEU A 27 12.908 20.651 -32.562 1.00 61.44 C ATOM 457 O LEU A 27 14.101 20.491 -32.820 1.00 73.14 O ATOM 458 CB LEU A 27 12.585 19.490 -30.370 1.00 72.44 C ATOM 459 CG LEU A 27 13.954 18.815 -30.463 1.00 10.11 C ATOM 460 CD1 LEU A 27 14.308 18.143 -29.145 1.00 71.25 C ATOM 461 CD2 LEU A 27 13.976 17.806 -31.602 1.00 35.25 C ATOM 0 H LEU A 27 10.361 20.540 -31.256 1.00 44.14 H new ATOM 0 HA LEU A 27 13.058 21.569 -30.639 1.00 12.31 H new ATOM 0 HB2 LEU A 27 12.359 19.665 -29.318 1.00 72.44 H new ATOM 0 HB3 LEU A 27 11.834 18.796 -30.746 1.00 72.44 H new ATOM 0 HG LEU A 27 14.702 19.581 -30.669 1.00 10.11 H new ATOM 0 HD11 LEU A 27 15.285 17.668 -29.230 1.00 71.25 H new ATOM 0 HD12 LEU A 27 14.335 18.890 -28.352 1.00 71.25 H new ATOM 0 HD13 LEU A 27 13.557 17.389 -28.908 1.00 71.25 H new ATOM 0 HD21 LEU A 27 14.958 17.336 -31.653 1.00 35.25 H new ATOM 0 HD22 LEU A 27 13.217 17.043 -31.427 1.00 35.25 H new ATOM 0 HD23 LEU A 27 13.769 18.315 -32.543 1.00 35.25 H new ATOM 473 N GLN A 28 11.964 20.694 -33.497 1.00 31.33 N ATOM 474 CA GLN A 28 12.284 20.552 -34.912 1.00 74.43 C ATOM 475 C GLN A 28 12.493 21.915 -35.563 1.00 15.13 C ATOM 476 O GLN A 28 12.434 22.047 -36.785 1.00 53.53 O ATOM 477 CB GLN A 28 11.168 19.794 -35.635 1.00 45.01 C ATOM 478 CG GLN A 28 11.496 18.333 -35.897 1.00 44.03 C ATOM 479 CD GLN A 28 10.258 17.463 -35.982 1.00 71.04 C ATOM 480 OE1 GLN A 28 9.741 17.203 -37.069 1.00 62.05 O ATOM 481 NE2 GLN A 28 9.774 17.007 -34.833 1.00 1.22 N ATOM 0 H GLN A 28 10.972 20.826 -33.300 1.00 31.33 H new ATOM 0 HA GLN A 28 13.211 19.985 -34.994 1.00 74.43 H new ATOM 0 HB2 GLN A 28 10.256 19.852 -35.040 1.00 45.01 H new ATOM 0 HB3 GLN A 28 10.961 20.287 -36.585 1.00 45.01 H new ATOM 0 HG2 GLN A 28 12.057 18.252 -36.828 1.00 44.03 H new ATOM 0 HG3 GLN A 28 12.143 17.962 -35.102 1.00 44.03 H new ATOM 0 HE21 GLN A 28 10.234 17.247 -33.955 1.00 1.22 H new ATOM 0 HE22 GLN A 28 8.942 16.417 -34.828 1.00 1.22 H new ATOM 490 N LYS A 29 12.736 22.928 -34.737 1.00 65.55 N ATOM 491 CA LYS A 29 12.955 24.282 -35.231 1.00 63.11 C ATOM 492 C LYS A 29 11.776 24.750 -36.077 1.00 75.12 C ATOM 493 O LYS A 29 11.919 25.626 -36.931 1.00 32.43 O ATOM 494 CB LYS A 29 14.244 24.345 -36.054 1.00 72.25 C ATOM 495 CG LYS A 29 15.456 23.783 -35.331 1.00 54.14 C ATOM 496 CD LYS A 29 16.741 24.072 -36.089 1.00 74.44 C ATOM 497 CE LYS A 29 16.896 23.154 -37.293 1.00 12.33 C ATOM 498 NZ LYS A 29 18.020 22.193 -37.116 1.00 53.54 N ATOM 0 H LYS A 29 12.786 22.836 -33.722 1.00 65.55 H new ATOM 0 HA LYS A 29 13.048 24.945 -34.371 1.00 63.11 H new ATOM 0 HB2 LYS A 29 14.099 23.795 -36.984 1.00 72.25 H new ATOM 0 HB3 LYS A 29 14.442 25.382 -36.325 1.00 72.25 H new ATOM 0 HG2 LYS A 29 15.517 24.214 -34.332 1.00 54.14 H new ATOM 0 HG3 LYS A 29 15.340 22.706 -35.207 1.00 54.14 H new ATOM 0 HD2 LYS A 29 16.744 25.111 -36.419 1.00 74.44 H new ATOM 0 HD3 LYS A 29 17.594 23.947 -35.422 1.00 74.44 H new ATOM 0 HE2 LYS A 29 15.969 22.603 -37.452 1.00 12.33 H new ATOM 0 HE3 LYS A 29 17.068 23.753 -38.187 1.00 12.33 H new ATOM 0 HZ1 LYS A 29 18.093 21.585 -37.957 1.00 53.54 H new ATOM 0 HZ2 LYS A 29 18.909 22.718 -36.990 1.00 53.54 H new ATOM 0 HZ3 LYS A 29 17.844 21.604 -36.277 1.00 53.54 H new ATOM 512 N LYS A 30 10.609 24.162 -35.834 1.00 60.14 N ATOM 513 CA LYS A 30 9.403 24.520 -36.571 1.00 60.15 C ATOM 514 C LYS A 30 9.647 24.461 -38.076 1.00 3.00 C ATOM 515 O LYS A 30 9.766 23.380 -38.654 1.00 11.14 O ATOM 516 CB LYS A 30 8.935 25.922 -36.174 1.00 62.15 C ATOM 517 CG LYS A 30 7.463 25.991 -35.807 1.00 21.40 C ATOM 518 CD LYS A 30 7.268 26.081 -34.303 1.00 15.51 C ATOM 519 CE LYS A 30 7.621 27.464 -33.777 1.00 41.34 C ATOM 520 NZ LYS A 30 6.418 28.201 -33.301 1.00 31.02 N ATOM 0 H LYS A 30 10.473 23.435 -35.132 1.00 60.14 H new ATOM 0 HA LYS A 30 8.626 23.799 -36.318 1.00 60.15 H new ATOM 0 HB2 LYS A 30 9.528 26.268 -35.328 1.00 62.15 H new ATOM 0 HB3 LYS A 30 9.127 26.607 -36.999 1.00 62.15 H new ATOM 0 HG2 LYS A 30 7.008 26.857 -36.287 1.00 21.40 H new ATOM 0 HG3 LYS A 30 6.950 25.109 -36.189 1.00 21.40 H new ATOM 0 HD2 LYS A 30 6.232 25.850 -34.055 1.00 15.51 H new ATOM 0 HD3 LYS A 30 7.889 25.333 -33.809 1.00 15.51 H new ATOM 0 HE2 LYS A 30 8.336 27.370 -32.960 1.00 41.34 H new ATOM 0 HE3 LYS A 30 8.110 28.038 -34.564 1.00 41.34 H new ATOM 0 HZ1 LYS A 30 6.701 29.138 -32.951 1.00 31.02 H new ATOM 0 HZ2 LYS A 30 5.746 28.314 -34.087 1.00 31.02 H new ATOM 0 HZ3 LYS A 30 5.965 27.667 -32.532 1.00 31.02 H new TER 534 LYS A 30