USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 290 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 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -151:sc= -0.201 (180deg=-0.846) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 12 LYS NZ :NH3+ -162:sc=-0.00116 (180deg=-0.177) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -0.537 7.293 -5.325 1.00 2.43 N ATOM 66 CA TRP A 4 -0.086 8.509 -4.657 1.00 1.12 C ATOM 67 C TRP A 4 -0.699 9.746 -5.305 1.00 64.42 C ATOM 68 O TRP A 4 -0.922 10.759 -4.644 1.00 34.52 O ATOM 69 CB TRP A 4 1.440 8.601 -4.696 1.00 24.11 C ATOM 70 CG TRP A 4 1.990 9.718 -3.862 1.00 11.24 C ATOM 71 CD1 TRP A 4 2.774 10.751 -4.289 1.00 40.32 C ATOM 72 CD2 TRP A 4 1.798 9.913 -2.456 1.00 72.32 C ATOM 73 NE1 TRP A 4 3.081 11.576 -3.234 1.00 41.42 N ATOM 74 CE2 TRP A 4 2.494 11.084 -2.099 1.00 15.31 C ATOM 75 CE3 TRP A 4 1.104 9.213 -1.465 1.00 64.43 C ATOM 76 CZ2 TRP A 4 2.515 11.568 -0.793 1.00 62.14 C ATOM 77 CZ3 TRP A 4 1.127 9.694 -0.170 1.00 62.31 C ATOM 78 CH2 TRP A 4 1.828 10.862 0.156 1.00 12.45 C ATOM 0 HA TRP A 4 -0.414 8.466 -3.618 1.00 1.12 H new ATOM 0 HB2 TRP A 4 1.862 7.657 -4.351 1.00 24.11 H new ATOM 0 HB3 TRP A 4 1.762 8.736 -5.729 1.00 24.11 H new ATOM 0 HD1 TRP A 4 3.104 10.898 -5.307 1.00 40.32 H new ATOM 0 HE1 TRP A 4 3.653 12.419 -3.288 1.00 41.42 H new ATOM 0 HE3 TRP A 4 0.560 8.312 -1.707 1.00 64.43 H new ATOM 0 HZ2 TRP A 4 3.054 12.468 -0.539 1.00 62.14 H new ATOM 0 HZ3 TRP A 4 0.595 9.160 0.604 1.00 62.31 H new ATOM 0 HH2 TRP A 4 1.826 11.212 1.178 1.00 12.45 H new ATOM 89 N GLY A 5 -0.968 9.656 -6.604 1.00 72.31 N ATOM 90 CA GLY A 5 -1.553 10.775 -7.320 1.00 21.24 C ATOM 91 C GLY A 5 -2.868 11.226 -6.715 1.00 60.24 C ATOM 92 O GLY A 5 -3.207 12.409 -6.759 1.00 30.40 O ATOM 0 H GLY A 5 -0.791 8.828 -7.173 1.00 72.31 H new ATOM 0 HA2 GLY A 5 -0.851 11.609 -7.320 1.00 21.24 H new ATOM 0 HA3 GLY A 5 -1.713 10.493 -8.361 1.00 21.24 H new ATOM 96 N LYS A 6 -3.613 10.281 -6.151 1.00 3.20 N ATOM 97 CA LYS A 6 -4.899 10.586 -5.535 1.00 42.24 C ATOM 98 C LYS A 6 -4.727 11.545 -4.362 1.00 25.04 C ATOM 99 O LYS A 6 -5.347 12.608 -4.319 1.00 50.21 O ATOM 100 CB LYS A 6 -5.578 9.300 -5.061 1.00 73.41 C ATOM 101 CG LYS A 6 -6.848 8.965 -5.825 1.00 65.23 C ATOM 102 CD LYS A 6 -7.241 7.509 -5.642 1.00 60.52 C ATOM 103 CE LYS A 6 -8.748 7.323 -5.727 1.00 53.53 C ATOM 104 NZ LYS A 6 -9.209 7.165 -7.134 1.00 71.25 N ATOM 0 H LYS A 6 -3.348 9.297 -6.108 1.00 3.20 H new ATOM 0 HA LYS A 6 -5.528 11.067 -6.285 1.00 42.24 H new ATOM 0 HB2 LYS A 6 -4.876 8.472 -5.158 1.00 73.41 H new ATOM 0 HB3 LYS A 6 -5.816 9.394 -4.001 1.00 73.41 H new ATOM 0 HG2 LYS A 6 -7.659 9.608 -5.483 1.00 65.23 H new ATOM 0 HG3 LYS A 6 -6.702 9.173 -6.885 1.00 65.23 H new ATOM 0 HD2 LYS A 6 -6.755 6.901 -6.405 1.00 60.52 H new ATOM 0 HD3 LYS A 6 -6.883 7.153 -4.676 1.00 60.52 H new ATOM 0 HE2 LYS A 6 -9.039 6.446 -5.149 1.00 53.53 H new ATOM 0 HE3 LYS A 6 -9.246 8.181 -5.276 1.00 53.53 H new ATOM 0 HZ1 LYS A 6 -10.241 7.041 -7.149 1.00 71.25 H new ATOM 0 HZ2 LYS A 6 -8.954 8.013 -7.680 1.00 71.25 H new ATOM 0 HZ3 LYS A 6 -8.754 6.331 -7.557 1.00 71.25 H new ATOM 118 N LEU A 7 -3.880 11.164 -3.412 1.00 21.33 N ATOM 119 CA LEU A 7 -3.625 11.991 -2.237 1.00 65.24 C ATOM 120 C LEU A 7 -2.986 13.318 -2.634 1.00 62.25 C ATOM 121 O LEU A 7 -3.407 14.382 -2.181 1.00 32.02 O ATOM 122 CB LEU A 7 -2.717 11.249 -1.254 1.00 73.02 C ATOM 123 CG LEU A 7 -3.176 11.236 0.204 1.00 15.32 C ATOM 124 CD1 LEU A 7 -2.474 10.129 0.975 1.00 15.32 C ATOM 125 CD2 LEU A 7 -2.921 12.588 0.856 1.00 65.53 C ATOM 0 H LEU A 7 -3.358 10.288 -3.432 1.00 21.33 H new ATOM 0 HA LEU A 7 -4.580 12.198 -1.755 1.00 65.24 H new ATOM 0 HB2 LEU A 7 -2.616 10.217 -1.591 1.00 73.02 H new ATOM 0 HB3 LEU A 7 -1.724 11.697 -1.298 1.00 73.02 H new ATOM 0 HG LEU A 7 -4.248 11.041 0.225 1.00 15.32 H new ATOM 0 HD11 LEU A 7 -2.813 10.135 2.011 1.00 15.32 H new ATOM 0 HD12 LEU A 7 -2.708 9.165 0.522 1.00 15.32 H new ATOM 0 HD13 LEU A 7 -1.397 10.292 0.945 1.00 15.32 H new ATOM 0 HD21 LEU A 7 -3.254 12.560 1.894 1.00 65.53 H new ATOM 0 HD22 LEU A 7 -1.855 12.813 0.823 1.00 65.53 H new ATOM 0 HD23 LEU A 7 -3.471 13.361 0.319 1.00 65.53 H new ATOM 137 N PHE A 8 -1.968 13.247 -3.486 1.00 1.31 N ATOM 138 CA PHE A 8 -1.272 14.443 -3.946 1.00 5.24 C ATOM 139 C PHE A 8 -2.240 15.412 -4.618 1.00 60.10 C ATOM 140 O PHE A 8 -2.262 16.602 -4.304 1.00 75.11 O ATOM 141 CB PHE A 8 -0.153 14.065 -4.919 1.00 3.35 C ATOM 142 CG PHE A 8 1.155 14.740 -4.619 1.00 43.33 C ATOM 143 CD1 PHE A 8 1.765 14.582 -3.385 1.00 41.53 C ATOM 144 CD2 PHE A 8 1.775 15.533 -5.572 1.00 53.10 C ATOM 145 CE1 PHE A 8 2.969 15.202 -3.107 1.00 30.13 C ATOM 146 CE2 PHE A 8 2.979 16.155 -5.299 1.00 73.44 C ATOM 147 CZ PHE A 8 3.576 15.990 -4.065 1.00 31.11 C ATOM 0 H PHE A 8 -1.607 12.374 -3.871 1.00 1.31 H new ATOM 0 HA PHE A 8 -0.837 14.937 -3.077 1.00 5.24 H new ATOM 0 HB2 PHE A 8 -0.010 12.985 -4.893 1.00 3.35 H new ATOM 0 HB3 PHE A 8 -0.461 14.322 -5.932 1.00 3.35 H new ATOM 0 HD1 PHE A 8 1.295 13.967 -2.632 1.00 41.53 H new ATOM 0 HD2 PHE A 8 1.312 15.666 -6.539 1.00 53.10 H new ATOM 0 HE1 PHE A 8 3.434 15.070 -2.141 1.00 30.13 H new ATOM 0 HE2 PHE A 8 3.452 16.770 -6.050 1.00 73.44 H new ATOM 0 HZ PHE A 8 4.516 16.476 -3.849 1.00 31.11 H new ATOM 157 N SER A 9 -3.038 14.893 -5.545 1.00 74.32 N ATOM 158 CA SER A 9 -4.006 15.711 -6.266 1.00 13.41 C ATOM 159 C SER A 9 -5.001 16.351 -5.302 1.00 52.23 C ATOM 160 O SER A 9 -5.240 17.558 -5.348 1.00 1.54 O ATOM 161 CB SER A 9 -4.752 14.865 -7.300 1.00 12.53 C ATOM 162 OG SER A 9 -5.927 15.522 -7.744 1.00 20.22 O ATOM 0 H SER A 9 -3.033 13.909 -5.815 1.00 74.32 H new ATOM 0 HA SER A 9 -3.463 16.504 -6.780 1.00 13.41 H new ATOM 0 HB2 SER A 9 -4.100 14.665 -8.150 1.00 12.53 H new ATOM 0 HB3 SER A 9 -5.013 13.900 -6.865 1.00 12.53 H new ATOM 0 HG SER A 9 -6.385 14.962 -8.405 1.00 20.22 H new ATOM 168 N THR A 10 -5.580 15.532 -4.429 1.00 40.51 N ATOM 169 CA THR A 10 -6.550 16.016 -3.455 1.00 1.12 C ATOM 170 C THR A 10 -5.985 17.179 -2.647 1.00 62.11 C ATOM 171 O THR A 10 -6.541 18.276 -2.649 1.00 14.44 O ATOM 172 CB THR A 10 -6.982 14.897 -2.489 1.00 22.22 C ATOM 173 OG1 THR A 10 -7.529 13.798 -3.226 1.00 21.32 O ATOM 174 CG2 THR A 10 -8.011 15.409 -1.493 1.00 35.20 C ATOM 0 H THR A 10 -5.394 14.531 -4.377 1.00 40.51 H new ATOM 0 HA THR A 10 -7.419 16.356 -4.017 1.00 1.12 H new ATOM 0 HB THR A 10 -6.103 14.563 -1.939 1.00 22.22 H new ATOM 0 HG1 THR A 10 -6.814 13.352 -3.727 1.00 21.32 H new ATOM 0 HG21 THR A 10 -8.301 14.601 -0.821 1.00 35.20 H new ATOM 0 HG22 THR A 10 -7.581 16.226 -0.913 1.00 35.20 H new ATOM 0 HG23 THR A 10 -8.890 15.768 -2.029 1.00 35.20 H new ATOM 182 N ALA A 11 -4.876 16.931 -1.958 1.00 63.02 N ATOM 183 CA ALA A 11 -4.234 17.959 -1.148 1.00 62.21 C ATOM 184 C ALA A 11 -3.975 19.220 -1.965 1.00 54.13 C ATOM 185 O ALA A 11 -4.411 20.311 -1.597 1.00 53.14 O ATOM 186 CB ALA A 11 -2.933 17.432 -0.561 1.00 44.01 C ATOM 0 H ALA A 11 -4.404 16.027 -1.945 1.00 63.02 H new ATOM 0 HA ALA A 11 -4.909 18.218 -0.333 1.00 62.21 H new ATOM 0 HB1 ALA A 11 -2.464 18.210 0.042 1.00 44.01 H new ATOM 0 HB2 ALA A 11 -3.141 16.564 0.065 1.00 44.01 H new ATOM 0 HB3 ALA A 11 -2.260 17.144 -1.368 1.00 44.01 H new ATOM 192 N LYS A 12 -3.263 19.064 -3.076 1.00 1.11 N ATOM 193 CA LYS A 12 -2.946 20.190 -3.947 1.00 31.04 C ATOM 194 C LYS A 12 -4.207 20.965 -4.315 1.00 13.05 C ATOM 195 O LYS A 12 -4.225 22.196 -4.280 1.00 65.45 O ATOM 196 CB LYS A 12 -2.248 19.698 -5.217 1.00 12.32 C ATOM 197 CG LYS A 12 -1.438 20.773 -5.920 1.00 44.12 C ATOM 198 CD LYS A 12 -1.109 20.377 -7.350 1.00 1.40 C ATOM 199 CE LYS A 12 0.329 20.722 -7.707 1.00 70.30 C ATOM 200 NZ LYS A 12 0.632 22.159 -7.465 1.00 13.54 N ATOM 0 H LYS A 12 -2.894 18.168 -3.395 1.00 1.11 H new ATOM 0 HA LYS A 12 -2.275 20.858 -3.406 1.00 31.04 H new ATOM 0 HB2 LYS A 12 -1.590 18.868 -4.962 1.00 12.32 H new ATOM 0 HB3 LYS A 12 -2.998 19.310 -5.907 1.00 12.32 H new ATOM 0 HG2 LYS A 12 -1.996 21.709 -5.920 1.00 44.12 H new ATOM 0 HG3 LYS A 12 -0.515 20.953 -5.369 1.00 44.12 H new ATOM 0 HD2 LYS A 12 -1.270 19.307 -7.479 1.00 1.40 H new ATOM 0 HD3 LYS A 12 -1.787 20.886 -8.035 1.00 1.40 H new ATOM 0 HE2 LYS A 12 1.007 20.104 -7.119 1.00 70.30 H new ATOM 0 HE3 LYS A 12 0.510 20.485 -8.755 1.00 70.30 H new ATOM 0 HZ1 LYS A 12 1.490 22.426 -7.988 1.00 13.54 H new ATOM 0 HZ2 LYS A 12 -0.166 22.741 -7.789 1.00 13.54 H new ATOM 0 HZ3 LYS A 12 0.784 22.315 -6.448 1.00 13.54 H new ATOM 214 N LYS A 13 -5.262 20.237 -4.665 1.00 14.32 N ATOM 215 CA LYS A 13 -6.530 20.856 -5.036 1.00 65.54 C ATOM 216 C LYS A 13 -7.072 21.712 -3.897 1.00 32.45 C ATOM 217 O LYS A 13 -7.327 22.904 -4.069 1.00 45.41 O ATOM 218 CB LYS A 13 -7.553 19.782 -5.414 1.00 41.10 C ATOM 219 CG LYS A 13 -7.431 19.304 -6.850 1.00 63.24 C ATOM 220 CD LYS A 13 -7.683 20.432 -7.837 1.00 63.41 C ATOM 221 CE LYS A 13 -7.917 19.900 -9.243 1.00 11.41 C ATOM 222 NZ LYS A 13 -8.271 20.989 -10.195 1.00 74.03 N ATOM 0 H LYS A 13 -5.264 19.218 -4.700 1.00 14.32 H new ATOM 0 HA LYS A 13 -6.353 21.500 -5.897 1.00 65.54 H new ATOM 0 HB2 LYS A 13 -7.436 18.929 -4.745 1.00 41.10 H new ATOM 0 HB3 LYS A 13 -8.557 20.176 -5.255 1.00 41.10 H new ATOM 0 HG2 LYS A 13 -6.435 18.892 -7.014 1.00 63.24 H new ATOM 0 HG3 LYS A 13 -8.143 18.498 -7.028 1.00 63.24 H new ATOM 0 HD2 LYS A 13 -8.550 21.010 -7.517 1.00 63.41 H new ATOM 0 HD3 LYS A 13 -6.830 21.111 -7.841 1.00 63.41 H new ATOM 0 HE2 LYS A 13 -7.020 19.389 -9.592 1.00 11.41 H new ATOM 0 HE3 LYS A 13 -8.717 19.160 -9.223 1.00 11.41 H new ATOM 0 HZ1 LYS A 13 -8.423 20.587 -11.142 1.00 74.03 H new ATOM 0 HZ2 LYS A 13 -9.141 21.460 -9.876 1.00 74.03 H new ATOM 0 HZ3 LYS A 13 -7.496 21.682 -10.233 1.00 74.03 H new ATOM 236 N LEU A 14 -7.246 21.097 -2.732 1.00 30.40 N ATOM 237 CA LEU A 14 -7.757 21.803 -1.562 1.00 51.14 C ATOM 238 C LEU A 14 -6.955 23.074 -1.301 1.00 15.13 C ATOM 239 O LEU A 14 -7.523 24.137 -1.046 1.00 21.45 O ATOM 240 CB LEU A 14 -7.710 20.895 -0.333 1.00 34.34 C ATOM 241 CG LEU A 14 -9.060 20.399 0.187 1.00 32.50 C ATOM 242 CD1 LEU A 14 -8.871 19.532 1.422 1.00 22.13 C ATOM 243 CD2 LEU A 14 -9.978 21.573 0.493 1.00 73.12 C ATOM 0 H LEU A 14 -7.041 20.111 -2.573 1.00 30.40 H new ATOM 0 HA LEU A 14 -8.792 22.082 -1.760 1.00 51.14 H new ATOM 0 HB2 LEU A 14 -7.094 20.028 -0.570 1.00 34.34 H new ATOM 0 HB3 LEU A 14 -7.208 21.432 0.472 1.00 34.34 H new ATOM 0 HG LEU A 14 -9.526 19.792 -0.590 1.00 32.50 H new ATOM 0 HD11 LEU A 14 -9.842 19.188 1.778 1.00 22.13 H new ATOM 0 HD12 LEU A 14 -8.251 18.671 1.171 1.00 22.13 H new ATOM 0 HD13 LEU A 14 -8.384 20.114 2.204 1.00 22.13 H new ATOM 0 HD21 LEU A 14 -10.934 21.201 0.862 1.00 73.12 H new ATOM 0 HD22 LEU A 14 -9.518 22.206 1.252 1.00 73.12 H new ATOM 0 HD23 LEU A 14 -10.141 22.154 -0.415 1.00 73.12 H new ATOM 255 N TYR A 15 -5.634 22.958 -1.368 1.00 20.03 N ATOM 256 CA TYR A 15 -4.754 24.098 -1.138 1.00 21.43 C ATOM 257 C TYR A 15 -5.060 25.228 -2.115 1.00 42.15 C ATOM 258 O TYR A 15 -5.448 26.325 -1.713 1.00 42.25 O ATOM 259 CB TYR A 15 -3.290 23.674 -1.272 1.00 74.24 C ATOM 260 CG TYR A 15 -2.319 24.832 -1.239 1.00 10.04 C ATOM 261 CD1 TYR A 15 -1.888 25.368 -0.032 1.00 13.34 C ATOM 262 CD2 TYR A 15 -1.831 25.389 -2.414 1.00 53.53 C ATOM 263 CE1 TYR A 15 -1.002 26.427 0.004 1.00 64.02 C ATOM 264 CE2 TYR A 15 -0.943 26.447 -2.388 1.00 51.35 C ATOM 265 CZ TYR A 15 -0.532 26.963 -1.177 1.00 63.21 C ATOM 266 OH TYR A 15 0.353 28.017 -1.146 1.00 72.51 O ATOM 0 H TYR A 15 -5.148 22.086 -1.580 1.00 20.03 H new ATOM 0 HA TYR A 15 -4.929 24.461 -0.125 1.00 21.43 H new ATOM 0 HB2 TYR A 15 -3.045 22.983 -0.466 1.00 74.24 H new ATOM 0 HB3 TYR A 15 -3.162 23.130 -2.208 1.00 74.24 H new ATOM 0 HD1 TYR A 15 -2.252 24.949 0.895 1.00 13.34 H new ATOM 0 HD2 TYR A 15 -2.151 24.988 -3.364 1.00 53.53 H new ATOM 0 HE1 TYR A 15 -0.679 26.833 0.951 1.00 64.02 H new ATOM 0 HE2 TYR A 15 -0.573 26.868 -3.311 1.00 51.35 H new ATOM 0 HH TYR A 15 0.587 28.275 -2.062 1.00 72.51 H new ATOM 276 N LYS A 16 -4.883 24.952 -3.403 1.00 63.10 N ATOM 277 CA LYS A 16 -5.141 25.943 -4.441 1.00 63.31 C ATOM 278 C LYS A 16 -6.541 26.529 -4.297 1.00 54.42 C ATOM 279 O LYS A 16 -6.712 27.747 -4.232 1.00 72.02 O ATOM 280 CB LYS A 16 -4.980 25.313 -5.827 1.00 2.52 C ATOM 281 CG LYS A 16 -3.895 25.964 -6.668 1.00 20.32 C ATOM 282 CD LYS A 16 -2.883 24.942 -7.160 1.00 15.10 C ATOM 283 CE LYS A 16 -3.293 24.353 -8.501 1.00 55.31 C ATOM 284 NZ LYS A 16 -4.151 23.147 -8.338 1.00 60.23 N ATOM 0 H LYS A 16 -4.562 24.049 -3.753 1.00 63.10 H new ATOM 0 HA LYS A 16 -4.416 26.749 -4.328 1.00 63.31 H new ATOM 0 HB2 LYS A 16 -4.752 24.253 -5.711 1.00 2.52 H new ATOM 0 HB3 LYS A 16 -5.929 25.378 -6.359 1.00 2.52 H new ATOM 0 HG2 LYS A 16 -4.348 26.469 -7.521 1.00 20.32 H new ATOM 0 HG3 LYS A 16 -3.386 26.727 -6.080 1.00 20.32 H new ATOM 0 HD2 LYS A 16 -1.904 25.413 -7.252 1.00 15.10 H new ATOM 0 HD3 LYS A 16 -2.785 24.143 -6.425 1.00 15.10 H new ATOM 0 HE2 LYS A 16 -3.830 25.105 -9.079 1.00 55.31 H new ATOM 0 HE3 LYS A 16 -2.401 24.090 -9.070 1.00 55.31 H new ATOM 0 HZ1 LYS A 16 -4.409 22.775 -9.274 1.00 60.23 H new ATOM 0 HZ2 LYS A 16 -3.630 22.419 -7.808 1.00 60.23 H new ATOM 0 HZ3 LYS A 16 -5.014 23.403 -7.817 1.00 60.23 H new ATOM 298 N LYS A 17 -7.541 25.656 -4.246 1.00 54.04 N ATOM 299 CA LYS A 17 -8.927 26.086 -4.107 1.00 55.52 C ATOM 300 C LYS A 17 -9.086 27.038 -2.926 1.00 5.23 C ATOM 301 O LYS A 17 -9.599 28.146 -3.073 1.00 50.42 O ATOM 302 CB LYS A 17 -9.844 24.874 -3.925 1.00 43.33 C ATOM 303 CG LYS A 17 -11.288 25.139 -4.315 1.00 44.22 C ATOM 304 CD LYS A 17 -11.598 24.603 -5.703 1.00 20.45 C ATOM 305 CE LYS A 17 -13.095 24.587 -5.972 1.00 21.41 C ATOM 306 NZ LYS A 17 -13.459 25.450 -7.129 1.00 74.33 N ATOM 0 H LYS A 17 -7.417 24.645 -4.299 1.00 54.04 H new ATOM 0 HA LYS A 17 -9.209 26.614 -5.018 1.00 55.52 H new ATOM 0 HB2 LYS A 17 -9.461 24.047 -4.522 1.00 43.33 H new ATOM 0 HB3 LYS A 17 -9.810 24.557 -2.883 1.00 43.33 H new ATOM 0 HG2 LYS A 17 -11.953 24.674 -3.587 1.00 44.22 H new ATOM 0 HG3 LYS A 17 -11.483 26.211 -4.286 1.00 44.22 H new ATOM 0 HD2 LYS A 17 -11.099 25.218 -6.452 1.00 20.45 H new ATOM 0 HD3 LYS A 17 -11.198 23.594 -5.802 1.00 20.45 H new ATOM 0 HE2 LYS A 17 -13.418 23.564 -6.166 1.00 21.41 H new ATOM 0 HE3 LYS A 17 -13.627 24.927 -5.084 1.00 21.41 H new ATOM 0 HZ1 LYS A 17 -14.487 25.412 -7.280 1.00 74.33 H new ATOM 0 HZ2 LYS A 17 -13.173 26.431 -6.934 1.00 74.33 H new ATOM 0 HZ3 LYS A 17 -12.971 25.111 -7.982 1.00 74.33 H new ATOM 320 N GLY A 18 -8.639 26.598 -1.753 1.00 11.20 N ATOM 321 CA GLY A 18 -8.739 27.424 -0.564 1.00 11.11 C ATOM 322 C GLY A 18 -8.142 28.803 -0.764 1.00 23.23 C ATOM 323 O GLY A 18 -8.814 29.815 -0.564 1.00 34.51 O ATOM 0 H GLY A 18 -8.210 25.685 -1.605 1.00 11.20 H new ATOM 0 HA2 GLY A 18 -9.787 27.523 -0.281 1.00 11.11 H new ATOM 0 HA3 GLY A 18 -8.231 26.928 0.263 1.00 11.11 H new ATOM 327 N LYS A 19 -6.873 28.845 -1.158 1.00 35.12 N ATOM 328 CA LYS A 19 -6.184 30.109 -1.385 1.00 2.35 C ATOM 329 C LYS A 19 -6.991 31.010 -2.314 1.00 44.12 C ATOM 330 O LYS A 19 -7.330 32.140 -1.961 1.00 32.41 O ATOM 331 CB LYS A 19 -4.796 29.858 -1.979 1.00 31.43 C ATOM 332 CG LYS A 19 -3.765 30.899 -1.578 1.00 70.44 C ATOM 333 CD LYS A 19 -3.305 31.716 -2.774 1.00 1.24 C ATOM 334 CE LYS A 19 -1.963 31.229 -3.299 1.00 11.33 C ATOM 335 NZ LYS A 19 -0.891 31.344 -2.272 1.00 21.14 N ATOM 0 H LYS A 19 -6.301 28.017 -1.327 1.00 35.12 H new ATOM 0 HA LYS A 19 -6.076 30.612 -0.424 1.00 2.35 H new ATOM 0 HB2 LYS A 19 -4.448 28.874 -1.664 1.00 31.43 H new ATOM 0 HB3 LYS A 19 -4.874 29.836 -3.066 1.00 31.43 H new ATOM 0 HG2 LYS A 19 -4.190 31.562 -0.825 1.00 70.44 H new ATOM 0 HG3 LYS A 19 -2.907 30.406 -1.121 1.00 70.44 H new ATOM 0 HD2 LYS A 19 -4.051 31.655 -3.566 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -3.227 32.766 -2.491 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -2.052 30.190 -3.616 1.00 11.33 H new ATOM 0 HE3 LYS A 19 -1.686 31.808 -4.180 1.00 11.33 H new ATOM 0 HZ1 LYS A 19 0.026 31.487 -2.742 1.00 21.14 H new ATOM 0 HZ2 LYS A 19 -1.092 32.153 -1.650 1.00 21.14 H new ATOM 0 HZ3 LYS A 19 -0.857 30.472 -1.706 1.00 21.14 H new ATOM 349 N LYS A 20 -7.296 30.503 -3.504 1.00 0.02 N ATOM 350 CA LYS A 20 -8.066 31.260 -4.484 1.00 64.10 C ATOM 351 C LYS A 20 -9.411 31.688 -3.907 1.00 20.24 C ATOM 352 O LYS A 20 -9.950 32.734 -4.270 1.00 44.22 O ATOM 353 CB LYS A 20 -8.283 30.424 -5.747 1.00 53.24 C ATOM 354 CG LYS A 20 -7.100 30.442 -6.700 1.00 14.20 C ATOM 355 CD LYS A 20 -7.286 31.473 -7.801 1.00 35.02 C ATOM 356 CE LYS A 20 -7.838 30.840 -9.069 1.00 41.33 C ATOM 357 NZ LYS A 20 -6.765 30.568 -10.065 1.00 24.41 N ATOM 0 H LYS A 20 -7.021 29.571 -3.813 1.00 0.02 H new ATOM 0 HA LYS A 20 -7.500 32.156 -4.741 1.00 64.10 H new ATOM 0 HB2 LYS A 20 -8.491 29.394 -5.459 1.00 53.24 H new ATOM 0 HB3 LYS A 20 -9.165 30.793 -6.270 1.00 53.24 H new ATOM 0 HG2 LYS A 20 -6.188 30.662 -6.145 1.00 14.20 H new ATOM 0 HG3 LYS A 20 -6.973 29.454 -7.143 1.00 14.20 H new ATOM 0 HD2 LYS A 20 -7.964 32.255 -7.458 1.00 35.02 H new ATOM 0 HD3 LYS A 20 -6.331 31.952 -8.018 1.00 35.02 H new ATOM 0 HE2 LYS A 20 -8.346 29.909 -8.819 1.00 41.33 H new ATOM 0 HE3 LYS A 20 -8.584 31.501 -9.510 1.00 41.33 H new ATOM 0 HZ1 LYS A 20 -7.181 30.137 -10.915 1.00 24.41 H new ATOM 0 HZ2 LYS A 20 -6.297 31.460 -10.323 1.00 24.41 H new ATOM 0 HZ3 LYS A 20 -6.066 29.917 -9.653 1.00 24.41 H new ATOM 473 N PHE A 27 -17.137 33.490 -7.607 1.00 32.22 N ATOM 474 CA PHE A 27 -18.272 33.570 -6.694 1.00 70.45 C ATOM 475 C PHE A 27 -19.325 34.541 -7.220 1.00 73.52 C ATOM 476 O PHE A 27 -20.526 34.319 -7.060 1.00 2.42 O ATOM 477 CB PHE A 27 -17.806 34.008 -5.305 1.00 13.34 C ATOM 478 CG PHE A 27 -18.397 33.194 -4.190 1.00 22.54 C ATOM 479 CD1 PHE A 27 -19.629 33.524 -3.650 1.00 14.32 C ATOM 480 CD2 PHE A 27 -17.720 32.097 -3.682 1.00 22.45 C ATOM 481 CE1 PHE A 27 -20.175 32.777 -2.623 1.00 64.42 C ATOM 482 CE2 PHE A 27 -18.260 31.345 -2.655 1.00 73.12 C ATOM 483 CZ PHE A 27 -19.490 31.685 -2.126 1.00 62.12 C ATOM 0 HA PHE A 27 -18.720 32.579 -6.623 1.00 70.45 H new ATOM 0 HB2 PHE A 27 -16.719 33.940 -5.257 1.00 13.34 H new ATOM 0 HB3 PHE A 27 -18.067 35.056 -5.157 1.00 13.34 H new ATOM 0 HD1 PHE A 27 -20.170 34.375 -4.036 1.00 14.32 H new ATOM 0 HD2 PHE A 27 -16.759 31.826 -4.093 1.00 22.45 H new ATOM 0 HE1 PHE A 27 -21.136 33.047 -2.210 1.00 64.42 H new ATOM 0 HE2 PHE A 27 -17.721 30.493 -2.267 1.00 73.12 H new ATOM 0 HZ PHE A 27 -19.915 31.098 -1.325 1.00 62.12 H new ATOM 493 N LYS A 28 -18.867 35.618 -7.849 1.00 20.23 N ATOM 494 CA LYS A 28 -19.767 36.624 -8.400 1.00 32.25 C ATOM 495 C LYS A 28 -20.633 36.031 -9.507 1.00 44.42 C ATOM 496 O LYS A 28 -21.861 36.079 -9.442 1.00 72.21 O ATOM 497 CB LYS A 28 -18.968 37.811 -8.942 1.00 31.12 C ATOM 498 CG LYS A 28 -19.190 39.098 -8.167 1.00 54.43 C ATOM 499 CD LYS A 28 -18.444 39.089 -6.844 1.00 33.13 C ATOM 500 CE LYS A 28 -17.484 40.263 -6.737 1.00 4.21 C ATOM 501 NZ LYS A 28 -16.112 39.901 -7.191 1.00 13.13 N ATOM 0 H LYS A 28 -17.877 35.817 -7.990 1.00 20.23 H new ATOM 0 HA LYS A 28 -20.420 36.970 -7.599 1.00 32.25 H new ATOM 0 HB2 LYS A 28 -17.907 37.563 -8.922 1.00 31.12 H new ATOM 0 HB3 LYS A 28 -19.238 37.974 -9.985 1.00 31.12 H new ATOM 0 HG2 LYS A 28 -18.859 39.946 -8.766 1.00 54.43 H new ATOM 0 HG3 LYS A 28 -20.256 39.234 -7.984 1.00 54.43 H new ATOM 0 HD2 LYS A 28 -19.159 39.126 -6.022 1.00 33.13 H new ATOM 0 HD3 LYS A 28 -17.891 38.155 -6.743 1.00 33.13 H new ATOM 0 HE2 LYS A 28 -17.858 41.093 -7.336 1.00 4.21 H new ATOM 0 HE3 LYS A 28 -17.445 40.608 -5.704 1.00 4.21 H new ATOM 0 HZ1 LYS A 28 -15.488 40.728 -7.103 1.00 13.13 H new ATOM 0 HZ2 LYS A 28 -15.745 39.126 -6.603 1.00 13.13 H new ATOM 0 HZ3 LYS A 28 -16.144 39.596 -8.185 1.00 13.13 H new ATOM 515 N LYS A 29 -19.984 35.472 -10.523 1.00 51.32 N ATOM 516 CA LYS A 29 -20.694 34.868 -11.644 1.00 64.44 C ATOM 517 C LYS A 29 -21.572 33.713 -11.173 1.00 55.44 C ATOM 518 O LYS A 29 -22.741 33.617 -11.548 1.00 44.44 O ATOM 519 CB LYS A 29 -19.699 34.369 -12.695 1.00 43.21 C ATOM 520 CG LYS A 29 -20.243 34.403 -14.113 1.00 11.14 C ATOM 521 CD LYS A 29 -19.255 35.042 -15.074 1.00 53.22 C ATOM 522 CE LYS A 29 -19.507 34.599 -16.507 1.00 45.34 C ATOM 523 NZ LYS A 29 -20.712 35.254 -17.087 1.00 42.21 N ATOM 0 H LYS A 29 -18.967 35.425 -10.593 1.00 51.32 H new ATOM 0 HA LYS A 29 -21.333 35.630 -12.090 1.00 64.44 H new ATOM 0 HB2 LYS A 29 -18.796 34.978 -12.647 1.00 43.21 H new ATOM 0 HB3 LYS A 29 -19.408 33.347 -12.451 1.00 43.21 H new ATOM 0 HG2 LYS A 29 -20.468 33.388 -14.442 1.00 11.14 H new ATOM 0 HG3 LYS A 29 -21.181 34.959 -14.131 1.00 11.14 H new ATOM 0 HD2 LYS A 29 -19.332 36.127 -15.009 1.00 53.22 H new ATOM 0 HD3 LYS A 29 -18.239 34.776 -14.783 1.00 53.22 H new ATOM 0 HE2 LYS A 29 -18.636 34.835 -17.118 1.00 45.34 H new ATOM 0 HE3 LYS A 29 -19.633 33.517 -16.536 1.00 45.34 H new ATOM 0 HZ1 LYS A 29 -20.849 34.926 -18.064 1.00 42.21 H new ATOM 0 HZ2 LYS A 29 -21.548 35.009 -16.519 1.00 42.21 H new ATOM 0 HZ3 LYS A 29 -20.582 36.286 -17.084 1.00 42.21 H new ATOM 537 N ALA A 30 -21.003 32.841 -10.349 1.00 32.54 N ATOM 538 CA ALA A 30 -21.736 31.695 -9.824 1.00 14.22 C ATOM 539 C ALA A 30 -22.958 32.143 -9.029 1.00 31.13 C ATOM 540 O ALA A 30 -24.052 31.600 -9.193 1.00 43.42 O ATOM 541 CB ALA A 30 -20.826 30.838 -8.958 1.00 22.44 C ATOM 0 H ALA A 30 -20.036 32.906 -10.030 1.00 32.54 H new ATOM 0 HA ALA A 30 -22.082 31.099 -10.668 1.00 14.22 H new ATOM 0 HB1 ALA A 30 -21.387 29.986 -8.573 1.00 22.44 H new ATOM 0 HB2 ALA A 30 -19.987 30.480 -9.555 1.00 22.44 H new ATOM 0 HB3 ALA A 30 -20.451 31.432 -8.125 1.00 22.44 H new ATOM 547 N LEU A 31 -22.766 33.135 -8.166 1.00 62.22 N ATOM 548 CA LEU A 31 -23.853 33.655 -7.344 1.00 43.42 C ATOM 549 C LEU A 31 -24.979 34.204 -8.214 1.00 41.14 C ATOM 550 O LEU A 31 -26.112 33.726 -8.157 1.00 61.45 O ATOM 551 CB LEU A 31 -23.333 34.751 -6.412 1.00 14.14 C ATOM 552 CG LEU A 31 -24.365 35.377 -5.472 1.00 25.02 C ATOM 553 CD1 LEU A 31 -24.814 34.369 -4.426 1.00 14.14 C ATOM 554 CD2 LEU A 31 -23.794 36.621 -4.806 1.00 62.32 C ATOM 0 H LEU A 31 -21.868 33.595 -8.018 1.00 62.22 H new ATOM 0 HA LEU A 31 -24.248 32.834 -6.746 1.00 43.42 H new ATOM 0 HB2 LEU A 31 -22.526 34.335 -5.808 1.00 14.14 H new ATOM 0 HB3 LEU A 31 -22.899 35.543 -7.022 1.00 14.14 H new ATOM 0 HG LEU A 31 -25.234 35.671 -6.061 1.00 25.02 H new ATOM 0 HD11 LEU A 31 -25.548 34.832 -3.766 1.00 14.14 H new ATOM 0 HD12 LEU A 31 -25.263 33.507 -4.920 1.00 14.14 H new ATOM 0 HD13 LEU A 31 -23.954 34.044 -3.841 1.00 14.14 H new ATOM 0 HD21 LEU A 31 -24.542 37.053 -4.141 1.00 62.32 H new ATOM 0 HD22 LEU A 31 -22.909 36.352 -4.230 1.00 62.32 H new ATOM 0 HD23 LEU A 31 -23.522 37.350 -5.569 1.00 62.32 H new ATOM 566 N LYS A 32 -24.659 35.210 -9.022 1.00 14.14 N ATOM 567 CA LYS A 32 -25.642 35.823 -9.907 1.00 72.34 C ATOM 568 C LYS A 32 -26.345 34.766 -10.754 1.00 44.23 C ATOM 569 O LYS A 32 -27.574 34.709 -10.800 1.00 44.41 O ATOM 570 CB LYS A 32 -24.968 36.854 -10.815 1.00 71.12 C ATOM 571 CG LYS A 32 -24.992 38.265 -10.255 1.00 3.43 C ATOM 572 CD LYS A 32 -25.729 39.220 -11.179 1.00 5.21 C ATOM 573 CE LYS A 32 -25.337 40.666 -10.914 1.00 20.11 C ATOM 574 NZ LYS A 32 -24.614 41.265 -12.069 1.00 41.54 N ATOM 0 H LYS A 32 -23.726 35.618 -9.082 1.00 14.14 H new ATOM 0 HA LYS A 32 -26.388 36.324 -9.290 1.00 72.34 H new ATOM 0 HB2 LYS A 32 -23.933 36.556 -10.983 1.00 71.12 H new ATOM 0 HB3 LYS A 32 -25.463 36.849 -11.786 1.00 71.12 H new ATOM 0 HG2 LYS A 32 -25.472 38.261 -9.277 1.00 3.43 H new ATOM 0 HG3 LYS A 32 -23.971 38.616 -10.107 1.00 3.43 H new ATOM 0 HD2 LYS A 32 -25.509 38.967 -12.216 1.00 5.21 H new ATOM 0 HD3 LYS A 32 -26.804 39.103 -11.043 1.00 5.21 H new ATOM 0 HE2 LYS A 32 -26.231 41.252 -10.702 1.00 20.11 H new ATOM 0 HE3 LYS A 32 -24.707 40.714 -10.026 1.00 20.11 H new ATOM 0 HZ1 LYS A 32 -24.364 42.250 -11.849 1.00 41.54 H new ATOM 0 HZ2 LYS A 32 -23.747 40.722 -12.256 1.00 41.54 H new ATOM 0 HZ3 LYS A 32 -25.225 41.242 -12.910 1.00 41.54 H new ATOM 588 N PHE A 33 -25.557 33.930 -11.422 1.00 43.35 N ATOM 589 CA PHE A 33 -26.103 32.875 -12.267 1.00 54.05 C ATOM 590 C PHE A 33 -27.087 32.008 -11.487 1.00 24.42 C ATOM 591 O PHE A 33 -28.251 31.879 -11.862 1.00 31.22 O ATOM 592 CB PHE A 33 -24.976 32.007 -12.830 1.00 42.32 C ATOM 593 CG PHE A 33 -25.424 31.074 -13.918 1.00 63.41 C ATOM 594 CD1 PHE A 33 -25.952 31.568 -15.099 1.00 53.15 C ATOM 595 CD2 PHE A 33 -25.317 29.701 -13.759 1.00 5.40 C ATOM 596 CE1 PHE A 33 -26.365 30.712 -16.103 1.00 31.42 C ATOM 597 CE2 PHE A 33 -25.727 28.840 -14.759 1.00 12.12 C ATOM 598 CZ PHE A 33 -26.253 29.346 -15.932 1.00 33.24 C ATOM 0 H PHE A 33 -24.538 33.963 -11.394 1.00 43.35 H new ATOM 0 HA PHE A 33 -26.636 33.346 -13.093 1.00 54.05 H new ATOM 0 HB2 PHE A 33 -24.189 32.654 -13.218 1.00 42.32 H new ATOM 0 HB3 PHE A 33 -24.538 31.424 -12.020 1.00 42.32 H new ATOM 0 HD1 PHE A 33 -26.042 32.635 -15.237 1.00 53.15 H new ATOM 0 HD2 PHE A 33 -24.909 29.300 -12.843 1.00 5.40 H new ATOM 0 HE1 PHE A 33 -26.774 31.111 -17.019 1.00 31.42 H new ATOM 0 HE2 PHE A 33 -25.636 27.772 -14.624 1.00 12.12 H new ATOM 0 HZ PHE A 33 -26.576 28.675 -16.714 1.00 33.24 H new ATOM 608 N GLY A 34 -26.607 31.414 -10.398 1.00 34.31 N ATOM 609 CA GLY A 34 -27.456 30.565 -9.581 1.00 42.44 C ATOM 610 C GLY A 34 -28.726 31.267 -9.142 1.00 23.32 C ATOM 611 O GLY A 34 -29.811 30.686 -9.183 1.00 2.44 O ATOM 0 H GLY A 34 -25.646 31.505 -10.067 1.00 34.31 H new ATOM 0 HA2 GLY A 34 -27.716 29.668 -10.143 1.00 42.44 H new ATOM 0 HA3 GLY A 34 -26.901 30.240 -8.701 1.00 42.44 H new ATOM 615 N LYS A 35 -28.592 32.519 -8.718 1.00 62.02 N ATOM 616 CA LYS A 35 -29.737 33.302 -8.268 1.00 62.52 C ATOM 617 C LYS A 35 -30.805 33.378 -9.355 1.00 24.32 C ATOM 618 O LYS A 35 -31.961 33.026 -9.126 1.00 34.14 O ATOM 619 CB LYS A 35 -29.293 34.712 -7.874 1.00 54.22 C ATOM 620 CG LYS A 35 -29.851 35.175 -6.539 1.00 73.43 C ATOM 621 CD LYS A 35 -30.773 36.371 -6.704 1.00 41.45 C ATOM 622 CE LYS A 35 -30.685 37.311 -5.512 1.00 1.40 C ATOM 623 NZ LYS A 35 -31.387 36.762 -4.319 1.00 73.34 N ATOM 0 H LYS A 35 -27.701 33.014 -8.677 1.00 62.02 H new ATOM 0 HA LYS A 35 -30.165 32.806 -7.397 1.00 62.52 H new ATOM 0 HB2 LYS A 35 -28.204 34.743 -7.833 1.00 54.22 H new ATOM 0 HB3 LYS A 35 -29.603 35.412 -8.650 1.00 54.22 H new ATOM 0 HG2 LYS A 35 -30.396 34.357 -6.068 1.00 73.43 H new ATOM 0 HG3 LYS A 35 -29.030 35.437 -5.872 1.00 73.43 H new ATOM 0 HD2 LYS A 35 -30.511 36.911 -7.614 1.00 41.45 H new ATOM 0 HD3 LYS A 35 -31.800 36.026 -6.822 1.00 41.45 H new ATOM 0 HE2 LYS A 35 -29.638 37.489 -5.267 1.00 1.40 H new ATOM 0 HE3 LYS A 35 -31.119 38.275 -5.777 1.00 1.40 H new ATOM 0 HZ1 LYS A 35 -31.304 37.432 -3.528 1.00 73.34 H new ATOM 0 HZ2 LYS A 35 -32.392 36.615 -4.544 1.00 73.34 H new ATOM 0 HZ3 LYS A 35 -30.956 35.854 -4.050 1.00 73.34 H new ATOM 637 N GLN A 36 -30.408 33.838 -10.537 1.00 22.31 N ATOM 638 CA GLN A 36 -31.332 33.959 -11.658 1.00 62.44 C ATOM 639 C GLN A 36 -31.858 32.591 -12.080 1.00 31.30 C ATOM 640 O GLN A 36 -32.967 32.475 -12.603 1.00 71.35 O ATOM 641 CB GLN A 36 -30.644 34.640 -12.842 1.00 43.52 C ATOM 642 CG GLN A 36 -31.420 35.823 -13.398 1.00 41.51 C ATOM 643 CD GLN A 36 -32.326 35.437 -14.551 1.00 3.42 C ATOM 644 OE1 GLN A 36 -32.097 34.433 -15.226 1.00 11.33 O ATOM 645 NE2 GLN A 36 -33.362 36.235 -14.783 1.00 21.14 N ATOM 0 H GLN A 36 -29.453 34.133 -10.743 1.00 22.31 H new ATOM 0 HA GLN A 36 -32.176 34.570 -11.336 1.00 62.44 H new ATOM 0 HB2 GLN A 36 -29.655 34.978 -12.532 1.00 43.52 H new ATOM 0 HB3 GLN A 36 -30.496 33.908 -13.636 1.00 43.52 H new ATOM 0 HG2 GLN A 36 -32.019 36.266 -12.602 1.00 41.51 H new ATOM 0 HG3 GLN A 36 -30.719 36.588 -13.732 1.00 41.51 H new ATOM 0 HE21 GLN A 36 -33.514 37.057 -14.198 1.00 21.14 H new ATOM 0 HE22 GLN A 36 -34.006 36.026 -15.546 1.00 21.14 H new ATOM 654 N LEU A 37 -31.056 31.557 -11.849 1.00 51.12 N ATOM 655 CA LEU A 37 -31.441 30.196 -12.205 1.00 61.34 C ATOM 656 C LEU A 37 -32.533 29.677 -11.275 1.00 51.53 C ATOM 657 O LEU A 37 -33.447 28.975 -11.706 1.00 53.41 O ATOM 658 CB LEU A 37 -30.225 29.270 -12.148 1.00 63.44 C ATOM 659 CG LEU A 37 -30.290 28.021 -13.029 1.00 1.11 C ATOM 660 CD1 LEU A 37 -29.136 28.005 -14.019 1.00 5.23 C ATOM 661 CD2 LEU A 37 -30.278 26.763 -12.172 1.00 50.34 C ATOM 0 H LEU A 37 -30.135 31.635 -11.417 1.00 51.12 H new ATOM 0 HA LEU A 37 -31.833 30.210 -13.222 1.00 61.34 H new ATOM 0 HB2 LEU A 37 -29.343 29.844 -12.431 1.00 63.44 H new ATOM 0 HB3 LEU A 37 -30.082 28.954 -11.115 1.00 63.44 H new ATOM 0 HG LEU A 37 -31.223 28.045 -13.592 1.00 1.11 H new ATOM 0 HD11 LEU A 37 -29.199 27.109 -14.637 1.00 5.23 H new ATOM 0 HD12 LEU A 37 -29.190 28.889 -14.655 1.00 5.23 H new ATOM 0 HD13 LEU A 37 -28.191 28.005 -13.476 1.00 5.23 H new ATOM 0 HD21 LEU A 37 -30.325 25.884 -12.815 1.00 50.34 H new ATOM 0 HD22 LEU A 37 -29.362 26.733 -11.583 1.00 50.34 H new ATOM 0 HD23 LEU A 37 -31.139 26.770 -11.504 1.00 50.34 H new ATOM 673 N ALA A 38 -32.432 30.030 -9.998 1.00 50.50 N ATOM 674 CA ALA A 38 -33.413 29.605 -9.008 1.00 33.31 C ATOM 675 C ALA A 38 -34.622 30.534 -8.998 1.00 52.21 C ATOM 676 O ALA A 38 -35.720 30.138 -8.608 1.00 35.42 O ATOM 677 CB ALA A 38 -32.778 29.547 -7.626 1.00 53.04 C ATOM 0 H ALA A 38 -31.680 30.610 -9.625 1.00 50.50 H new ATOM 0 HA ALA A 38 -33.757 28.607 -9.280 1.00 33.31 H new ATOM 0 HB1 ALA A 38 -33.523 29.228 -6.897 1.00 53.04 H new ATOM 0 HB2 ALA A 38 -31.951 28.837 -7.635 1.00 53.04 H new ATOM 0 HB3 ALA A 38 -32.405 30.535 -7.355 1.00 53.04 H new ATOM 683 N LYS A 39 -34.413 31.773 -9.429 1.00 52.54 N ATOM 684 CA LYS A 39 -35.486 32.761 -9.471 1.00 64.53 C ATOM 685 C LYS A 39 -36.679 32.234 -10.262 1.00 11.12 C ATOM 686 O LYS A 39 -37.818 32.631 -10.022 1.00 13.34 O ATOM 687 CB LYS A 39 -34.982 34.064 -10.095 1.00 14.42 C ATOM 688 CG LYS A 39 -35.733 35.296 -9.618 1.00 60.12 C ATOM 689 CD LYS A 39 -34.964 36.033 -8.534 1.00 71.15 C ATOM 690 CE LYS A 39 -35.736 37.241 -8.027 1.00 50.20 C ATOM 691 NZ LYS A 39 -35.088 37.852 -6.833 1.00 51.15 N ATOM 0 H LYS A 39 -33.510 32.118 -9.755 1.00 52.54 H new ATOM 0 HA LYS A 39 -35.808 32.956 -8.448 1.00 64.53 H new ATOM 0 HB2 LYS A 39 -33.923 34.182 -9.864 1.00 14.42 H new ATOM 0 HB3 LYS A 39 -35.066 33.994 -11.180 1.00 14.42 H new ATOM 0 HG2 LYS A 39 -35.908 35.965 -10.460 1.00 60.12 H new ATOM 0 HG3 LYS A 39 -36.711 35.002 -9.236 1.00 60.12 H new ATOM 0 HD2 LYS A 39 -34.762 35.355 -7.705 1.00 71.15 H new ATOM 0 HD3 LYS A 39 -33.999 36.355 -8.926 1.00 71.15 H new ATOM 0 HE2 LYS A 39 -35.809 37.984 -8.821 1.00 50.20 H new ATOM 0 HE3 LYS A 39 -36.754 36.942 -7.775 1.00 50.20 H new ATOM 0 HZ1 LYS A 39 -35.644 38.672 -6.518 1.00 51.15 H new ATOM 0 HZ2 LYS A 39 -35.041 37.151 -6.067 1.00 51.15 H new ATOM 0 HZ3 LYS A 39 -34.126 38.160 -7.080 1.00 51.15 H new