USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=6 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+ -150:sc= -0.135 (180deg=-0.759) USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.244) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= -0.0842 (180deg=-0.2) 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= -0.187 K(o=-0.19,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -2.176 7.029 -2.642 1.00 3.14 N ATOM 66 CA TRP A 4 -2.931 8.107 -2.013 1.00 45.32 C ATOM 67 C TRP A 4 -2.445 9.468 -2.500 1.00 64.15 C ATOM 68 O TRP A 4 -3.194 10.443 -2.496 1.00 11.41 O ATOM 69 CB TRP A 4 -2.808 8.023 -0.491 1.00 0.41 C ATOM 70 CG TRP A 4 -3.668 6.957 0.116 1.00 34.04 C ATOM 71 CD1 TRP A 4 -3.267 5.964 0.964 1.00 70.25 C ATOM 72 CD2 TRP A 4 -5.075 6.777 -0.079 1.00 32.44 C ATOM 73 NE1 TRP A 4 -4.340 5.177 1.307 1.00 62.32 N ATOM 74 CE2 TRP A 4 -5.461 5.655 0.681 1.00 23.14 C ATOM 75 CE3 TRP A 4 -6.047 7.454 -0.819 1.00 51.44 C ATOM 76 CZ2 TRP A 4 -6.775 5.198 0.719 1.00 33.20 C ATOM 77 CZ3 TRP A 4 -7.351 6.999 -0.781 1.00 53.22 C ATOM 78 CH2 TRP A 4 -7.706 5.880 -0.016 1.00 11.31 C ATOM 0 HA TRP A 4 -3.978 7.994 -2.293 1.00 45.32 H new ATOM 0 HB2 TRP A 4 -1.767 7.834 -0.228 1.00 0.41 H new ATOM 0 HB3 TRP A 4 -3.076 8.987 -0.058 1.00 0.41 H new ATOM 0 HD1 TRP A 4 -2.255 5.819 1.313 1.00 70.25 H new ATOM 0 HE1 TRP A 4 -4.307 4.368 1.927 1.00 62.32 H new ATOM 0 HE3 TRP A 4 -5.784 8.318 -1.411 1.00 51.44 H new ATOM 0 HZ2 TRP A 4 -7.050 4.335 1.308 1.00 33.20 H new ATOM 0 HZ3 TRP A 4 -8.110 7.515 -1.351 1.00 53.22 H new ATOM 0 HH2 TRP A 4 -8.734 5.550 -0.006 1.00 11.31 H new ATOM 89 N GLY A 5 -1.184 9.526 -2.921 1.00 75.11 N ATOM 90 CA GLY A 5 -0.621 10.772 -3.406 1.00 1.22 C ATOM 91 C GLY A 5 -1.430 11.373 -4.538 1.00 60.33 C ATOM 92 O GLY A 5 -1.449 12.590 -4.721 1.00 2.23 O ATOM 0 H GLY A 5 -0.543 8.732 -2.934 1.00 75.11 H new ATOM 0 HA2 GLY A 5 -0.566 11.486 -2.584 1.00 1.22 H new ATOM 0 HA3 GLY A 5 0.400 10.598 -3.746 1.00 1.22 H new ATOM 96 N LYS A 6 -2.100 10.517 -5.303 1.00 42.31 N ATOM 97 CA LYS A 6 -2.915 10.969 -6.425 1.00 24.03 C ATOM 98 C LYS A 6 -4.099 11.797 -5.938 1.00 12.41 C ATOM 99 O LYS A 6 -4.283 12.942 -6.355 1.00 70.42 O ATOM 100 CB LYS A 6 -3.415 9.770 -7.234 1.00 10.14 C ATOM 101 CG LYS A 6 -3.138 9.883 -8.723 1.00 22.53 C ATOM 102 CD LYS A 6 -2.045 8.921 -9.161 1.00 14.53 C ATOM 103 CE LYS A 6 -0.661 9.498 -8.907 1.00 0.22 C ATOM 104 NZ LYS A 6 -0.094 9.031 -7.611 1.00 74.14 N ATOM 0 H LYS A 6 -2.095 9.506 -5.166 1.00 42.31 H new ATOM 0 HA LYS A 6 -2.294 11.597 -7.064 1.00 24.03 H new ATOM 0 HB2 LYS A 6 -2.944 8.864 -6.853 1.00 10.14 H new ATOM 0 HB3 LYS A 6 -4.488 9.661 -7.080 1.00 10.14 H new ATOM 0 HG2 LYS A 6 -4.051 9.676 -9.281 1.00 22.53 H new ATOM 0 HG3 LYS A 6 -2.843 10.904 -8.963 1.00 22.53 H new ATOM 0 HD2 LYS A 6 -2.152 7.978 -8.624 1.00 14.53 H new ATOM 0 HD3 LYS A 6 -2.158 8.698 -10.222 1.00 14.53 H new ATOM 0 HE2 LYS A 6 0.007 9.211 -9.720 1.00 0.22 H new ATOM 0 HE3 LYS A 6 -0.716 10.587 -8.908 1.00 0.22 H new ATOM 0 HZ1 LYS A 6 0.219 9.851 -7.054 1.00 74.14 H new ATOM 0 HZ2 LYS A 6 -0.822 8.510 -7.081 1.00 74.14 H new ATOM 0 HZ3 LYS A 6 0.717 8.405 -7.792 1.00 74.14 H new ATOM 118 N LEU A 7 -4.899 11.214 -5.052 1.00 72.35 N ATOM 119 CA LEU A 7 -6.066 11.899 -4.507 1.00 61.11 C ATOM 120 C LEU A 7 -5.652 13.145 -3.732 1.00 12.55 C ATOM 121 O LEU A 7 -6.300 14.189 -3.821 1.00 31.42 O ATOM 122 CB LEU A 7 -6.856 10.957 -3.597 1.00 20.10 C ATOM 123 CG LEU A 7 -8.367 10.914 -3.825 1.00 53.11 C ATOM 124 CD1 LEU A 7 -8.996 9.785 -3.024 1.00 34.02 C ATOM 125 CD2 LEU A 7 -9.000 12.248 -3.457 1.00 52.35 C ATOM 0 H LEU A 7 -4.761 10.268 -4.696 1.00 72.35 H new ATOM 0 HA LEU A 7 -6.699 12.205 -5.340 1.00 61.11 H new ATOM 0 HB2 LEU A 7 -6.461 9.949 -3.721 1.00 20.10 H new ATOM 0 HB3 LEU A 7 -6.673 11.246 -2.562 1.00 20.10 H new ATOM 0 HG LEU A 7 -8.550 10.727 -4.883 1.00 53.11 H new ATOM 0 HD11 LEU A 7 -10.072 9.770 -3.199 1.00 34.02 H new ATOM 0 HD12 LEU A 7 -8.565 8.834 -3.335 1.00 34.02 H new ATOM 0 HD13 LEU A 7 -8.803 9.941 -1.963 1.00 34.02 H new ATOM 0 HD21 LEU A 7 -10.076 12.199 -3.626 1.00 52.35 H new ATOM 0 HD22 LEU A 7 -8.807 12.465 -2.406 1.00 52.35 H new ATOM 0 HD23 LEU A 7 -8.571 13.037 -4.075 1.00 52.35 H new ATOM 137 N PHE A 8 -4.568 13.031 -2.972 1.00 62.31 N ATOM 138 CA PHE A 8 -4.066 14.149 -2.182 1.00 32.35 C ATOM 139 C PHE A 8 -3.655 15.310 -3.082 1.00 3.03 C ATOM 140 O PHE A 8 -4.021 16.459 -2.837 1.00 2.54 O ATOM 141 CB PHE A 8 -2.877 13.704 -1.328 1.00 2.33 C ATOM 142 CG PHE A 8 -3.222 13.497 0.119 1.00 21.52 C ATOM 143 CD1 PHE A 8 -4.060 12.462 0.504 1.00 51.53 C ATOM 144 CD2 PHE A 8 -2.709 14.336 1.095 1.00 65.21 C ATOM 145 CE1 PHE A 8 -4.379 12.268 1.834 1.00 15.34 C ATOM 146 CE2 PHE A 8 -3.024 14.146 2.427 1.00 0.31 C ATOM 147 CZ PHE A 8 -3.861 13.112 2.797 1.00 14.12 C ATOM 0 H PHE A 8 -4.020 12.175 -2.886 1.00 62.31 H new ATOM 0 HA PHE A 8 -4.868 14.488 -1.527 1.00 32.35 H new ATOM 0 HB2 PHE A 8 -2.476 12.775 -1.734 1.00 2.33 H new ATOM 0 HB3 PHE A 8 -2.087 14.452 -1.402 1.00 2.33 H new ATOM 0 HD1 PHE A 8 -4.468 11.799 -0.245 1.00 51.53 H new ATOM 0 HD2 PHE A 8 -2.055 15.148 0.812 1.00 65.21 H new ATOM 0 HE1 PHE A 8 -5.033 11.457 2.121 1.00 15.34 H new ATOM 0 HE2 PHE A 8 -2.616 14.806 3.178 1.00 0.31 H new ATOM 0 HZ PHE A 8 -4.110 12.963 3.837 1.00 14.12 H new ATOM 157 N SER A 9 -2.891 15.001 -4.124 1.00 64.34 N ATOM 158 CA SER A 9 -2.425 16.018 -5.059 1.00 41.25 C ATOM 159 C SER A 9 -3.602 16.698 -5.753 1.00 4.23 C ATOM 160 O SER A 9 -3.759 17.918 -5.684 1.00 24.23 O ATOM 161 CB SER A 9 -1.495 15.395 -6.102 1.00 43.32 C ATOM 162 OG SER A 9 -0.738 16.390 -6.770 1.00 13.30 O ATOM 0 H SER A 9 -2.581 14.054 -4.342 1.00 64.34 H new ATOM 0 HA SER A 9 -1.874 16.770 -4.494 1.00 41.25 H new ATOM 0 HB2 SER A 9 -0.823 14.687 -5.618 1.00 43.32 H new ATOM 0 HB3 SER A 9 -2.082 14.832 -6.828 1.00 43.32 H new ATOM 0 HG SER A 9 -0.151 15.966 -7.430 1.00 13.30 H new ATOM 168 N THR A 10 -4.428 15.900 -6.422 1.00 42.10 N ATOM 169 CA THR A 10 -5.590 16.423 -7.129 1.00 42.04 C ATOM 170 C THR A 10 -6.438 17.303 -6.219 1.00 2.35 C ATOM 171 O THR A 10 -6.711 18.460 -6.537 1.00 12.23 O ATOM 172 CB THR A 10 -6.467 15.286 -7.687 1.00 64.00 C ATOM 173 OG1 THR A 10 -5.648 14.318 -8.353 1.00 73.10 O ATOM 174 CG2 THR A 10 -7.507 15.830 -8.655 1.00 30.35 C ATOM 0 H THR A 10 -4.314 14.889 -6.489 1.00 42.10 H new ATOM 0 HA THR A 10 -5.212 17.021 -7.958 1.00 42.04 H new ATOM 0 HB THR A 10 -6.984 14.812 -6.852 1.00 64.00 H new ATOM 0 HG1 THR A 10 -5.254 13.712 -7.691 1.00 73.10 H new ATOM 0 HG21 THR A 10 -8.114 15.009 -9.036 1.00 30.35 H new ATOM 0 HG22 THR A 10 -8.147 16.545 -8.138 1.00 30.35 H new ATOM 0 HG23 THR A 10 -7.006 16.327 -9.486 1.00 30.35 H new ATOM 182 N ALA A 11 -6.851 16.748 -5.084 1.00 3.12 N ATOM 183 CA ALA A 11 -7.666 17.484 -4.125 1.00 45.34 C ATOM 184 C ALA A 11 -7.017 18.815 -3.761 1.00 44.42 C ATOM 185 O ALA A 11 -7.666 19.861 -3.783 1.00 43.34 O ATOM 186 CB ALA A 11 -7.895 16.648 -2.876 1.00 34.45 C ATOM 0 H ALA A 11 -6.634 15.791 -4.806 1.00 3.12 H new ATOM 0 HA ALA A 11 -8.629 17.694 -4.590 1.00 45.34 H new ATOM 0 HB1 ALA A 11 -8.505 17.210 -2.169 1.00 34.45 H new ATOM 0 HB2 ALA A 11 -8.409 15.725 -3.145 1.00 34.45 H new ATOM 0 HB3 ALA A 11 -6.936 16.409 -2.417 1.00 34.45 H new ATOM 192 N LYS A 12 -5.732 18.770 -3.425 1.00 61.43 N ATOM 193 CA LYS A 12 -4.994 19.972 -3.057 1.00 23.35 C ATOM 194 C LYS A 12 -5.133 21.046 -4.130 1.00 2.40 C ATOM 195 O LYS A 12 -5.534 22.175 -3.845 1.00 45.20 O ATOM 196 CB LYS A 12 -3.515 19.641 -2.840 1.00 33.23 C ATOM 197 CG LYS A 12 -2.770 20.688 -2.031 1.00 1.14 C ATOM 198 CD LYS A 12 -2.054 20.069 -0.842 1.00 11.01 C ATOM 199 CE LYS A 12 -0.611 19.726 -1.177 1.00 44.41 C ATOM 200 NZ LYS A 12 -0.512 18.861 -2.385 1.00 31.43 N ATOM 0 H LYS A 12 -5.180 17.913 -3.400 1.00 61.43 H new ATOM 0 HA LYS A 12 -5.415 20.356 -2.128 1.00 23.35 H new ATOM 0 HB2 LYS A 12 -3.437 18.679 -2.333 1.00 33.23 H new ATOM 0 HB3 LYS A 12 -3.030 19.530 -3.810 1.00 33.23 H new ATOM 0 HG2 LYS A 12 -2.046 21.195 -2.669 1.00 1.14 H new ATOM 0 HG3 LYS A 12 -3.471 21.445 -1.681 1.00 1.14 H new ATOM 0 HD2 LYS A 12 -2.079 20.761 -0.000 1.00 11.01 H new ATOM 0 HD3 LYS A 12 -2.580 19.167 -0.528 1.00 11.01 H new ATOM 0 HE2 LYS A 12 -0.048 20.645 -1.341 1.00 44.41 H new ATOM 0 HE3 LYS A 12 -0.152 19.219 -0.328 1.00 44.41 H new ATOM 0 HZ1 LYS A 12 0.454 18.484 -2.464 1.00 31.43 H new ATOM 0 HZ2 LYS A 12 -1.186 18.073 -2.304 1.00 31.43 H new ATOM 0 HZ3 LYS A 12 -0.735 19.421 -3.232 1.00 31.43 H new ATOM 214 N LYS A 13 -4.801 20.688 -5.366 1.00 3.43 N ATOM 215 CA LYS A 13 -4.891 21.621 -6.483 1.00 61.42 C ATOM 216 C LYS A 13 -6.288 22.225 -6.576 1.00 74.12 C ATOM 217 O LYS A 13 -6.455 23.444 -6.509 1.00 65.45 O ATOM 218 CB LYS A 13 -4.542 20.913 -7.794 1.00 63.52 C ATOM 219 CG LYS A 13 -3.204 21.335 -8.376 1.00 22.00 C ATOM 220 CD LYS A 13 -2.047 20.886 -7.498 1.00 54.34 C ATOM 221 CE LYS A 13 -0.758 21.605 -7.865 1.00 62.43 C ATOM 222 NZ LYS A 13 -0.166 22.313 -6.697 1.00 2.11 N ATOM 0 H LYS A 13 -4.467 19.758 -5.619 1.00 3.43 H new ATOM 0 HA LYS A 13 -4.177 22.426 -6.310 1.00 61.42 H new ATOM 0 HB2 LYS A 13 -4.531 19.836 -7.624 1.00 63.52 H new ATOM 0 HB3 LYS A 13 -5.326 21.113 -8.525 1.00 63.52 H new ATOM 0 HG2 LYS A 13 -3.090 20.911 -9.374 1.00 22.00 H new ATOM 0 HG3 LYS A 13 -3.179 22.419 -8.485 1.00 22.00 H new ATOM 0 HD2 LYS A 13 -2.287 21.078 -6.452 1.00 54.34 H new ATOM 0 HD3 LYS A 13 -1.907 19.810 -7.601 1.00 54.34 H new ATOM 0 HE2 LYS A 13 -0.039 20.885 -8.256 1.00 62.43 H new ATOM 0 HE3 LYS A 13 -0.956 22.322 -8.662 1.00 62.43 H new ATOM 0 HZ1 LYS A 13 0.711 22.790 -6.988 1.00 2.11 H new ATOM 0 HZ2 LYS A 13 -0.842 23.018 -6.339 1.00 2.11 H new ATOM 0 HZ3 LYS A 13 0.047 21.626 -5.946 1.00 2.11 H new ATOM 236 N LEU A 14 -7.290 21.366 -6.729 1.00 12.11 N ATOM 237 CA LEU A 14 -8.675 21.815 -6.829 1.00 45.43 C ATOM 238 C LEU A 14 -9.031 22.743 -5.672 1.00 52.02 C ATOM 239 O LEU A 14 -9.680 23.772 -5.865 1.00 70.50 O ATOM 240 CB LEU A 14 -9.621 20.614 -6.845 1.00 54.14 C ATOM 241 CG LEU A 14 -10.305 20.316 -8.180 1.00 63.14 C ATOM 242 CD1 LEU A 14 -11.228 19.114 -8.051 1.00 1.41 C ATOM 243 CD2 LEU A 14 -11.076 21.533 -8.668 1.00 52.43 C ATOM 0 H LEU A 14 -7.170 20.355 -6.787 1.00 12.11 H new ATOM 0 HA LEU A 14 -8.786 22.369 -7.761 1.00 45.43 H new ATOM 0 HB2 LEU A 14 -9.059 19.730 -6.542 1.00 54.14 H new ATOM 0 HB3 LEU A 14 -10.393 20.775 -6.092 1.00 54.14 H new ATOM 0 HG LEU A 14 -9.536 20.080 -8.915 1.00 63.14 H new ATOM 0 HD11 LEU A 14 -11.706 18.917 -9.011 1.00 1.41 H new ATOM 0 HD12 LEU A 14 -10.649 18.242 -7.748 1.00 1.41 H new ATOM 0 HD13 LEU A 14 -11.992 19.321 -7.301 1.00 1.41 H new ATOM 0 HD21 LEU A 14 -11.556 21.302 -9.619 1.00 52.43 H new ATOM 0 HD22 LEU A 14 -11.836 21.801 -7.934 1.00 52.43 H new ATOM 0 HD23 LEU A 14 -10.390 22.369 -8.801 1.00 52.43 H new ATOM 255 N TYR A 15 -8.601 22.374 -4.471 1.00 33.22 N ATOM 256 CA TYR A 15 -8.875 23.173 -3.282 1.00 74.52 C ATOM 257 C TYR A 15 -8.360 24.598 -3.453 1.00 54.44 C ATOM 258 O TYR A 15 -9.129 25.559 -3.404 1.00 4.35 O ATOM 259 CB TYR A 15 -8.233 22.531 -2.051 1.00 62.45 C ATOM 260 CG TYR A 15 -8.310 23.390 -0.810 1.00 54.30 C ATOM 261 CD1 TYR A 15 -9.406 23.319 0.041 1.00 31.33 C ATOM 262 CD2 TYR A 15 -7.287 24.274 -0.488 1.00 33.41 C ATOM 263 CE1 TYR A 15 -9.481 24.103 1.176 1.00 34.20 C ATOM 264 CE2 TYR A 15 -7.353 25.061 0.646 1.00 74.54 C ATOM 265 CZ TYR A 15 -8.453 24.972 1.474 1.00 24.10 C ATOM 266 OH TYR A 15 -8.523 25.754 2.604 1.00 32.33 O ATOM 0 H TYR A 15 -8.061 21.527 -4.295 1.00 33.22 H new ATOM 0 HA TYR A 15 -9.955 23.211 -3.142 1.00 74.52 H new ATOM 0 HB2 TYR A 15 -8.721 21.577 -1.853 1.00 62.45 H new ATOM 0 HB3 TYR A 15 -7.187 22.315 -2.268 1.00 62.45 H new ATOM 0 HD1 TYR A 15 -10.213 22.639 -0.189 1.00 31.33 H new ATOM 0 HD2 TYR A 15 -6.426 24.347 -1.135 1.00 33.41 H new ATOM 0 HE1 TYR A 15 -10.340 24.036 1.826 1.00 34.20 H new ATOM 0 HE2 TYR A 15 -6.548 25.742 0.883 1.00 74.54 H new ATOM 0 HH TYR A 15 -7.718 26.309 2.668 1.00 32.33 H new ATOM 276 N LYS A 16 -7.054 24.728 -3.656 1.00 43.02 N ATOM 277 CA LYS A 16 -6.433 26.035 -3.837 1.00 60.13 C ATOM 278 C LYS A 16 -7.069 26.782 -5.005 1.00 44.04 C ATOM 279 O LYS A 16 -7.458 27.943 -4.875 1.00 73.44 O ATOM 280 CB LYS A 16 -4.929 25.880 -4.075 1.00 72.40 C ATOM 281 CG LYS A 16 -4.074 26.472 -2.968 1.00 50.14 C ATOM 282 CD LYS A 16 -4.371 27.948 -2.764 1.00 11.12 C ATOM 283 CE LYS A 16 -3.151 28.696 -2.249 1.00 42.21 C ATOM 284 NZ LYS A 16 -3.514 29.704 -1.215 1.00 3.40 N ATOM 0 H LYS A 16 -6.404 23.943 -3.699 1.00 43.02 H new ATOM 0 HA LYS A 16 -6.593 26.614 -2.928 1.00 60.13 H new ATOM 0 HB2 LYS A 16 -4.693 24.821 -4.178 1.00 72.40 H new ATOM 0 HB3 LYS A 16 -4.668 26.358 -5.019 1.00 72.40 H new ATOM 0 HG2 LYS A 16 -4.255 25.932 -2.039 1.00 50.14 H new ATOM 0 HG3 LYS A 16 -3.020 26.342 -3.212 1.00 50.14 H new ATOM 0 HD2 LYS A 16 -4.698 28.388 -3.706 1.00 11.12 H new ATOM 0 HD3 LYS A 16 -5.193 28.061 -2.057 1.00 11.12 H new ATOM 0 HE2 LYS A 16 -2.440 27.985 -1.829 1.00 42.21 H new ATOM 0 HE3 LYS A 16 -2.652 29.193 -3.081 1.00 42.21 H new ATOM 0 HZ1 LYS A 16 -2.655 30.192 -0.890 1.00 3.40 H new ATOM 0 HZ2 LYS A 16 -4.173 30.398 -1.623 1.00 3.40 H new ATOM 0 HZ3 LYS A 16 -3.968 29.227 -0.410 1.00 3.40 H new ATOM 298 N LYS A 17 -7.172 26.109 -6.146 1.00 44.04 N ATOM 299 CA LYS A 17 -7.763 26.707 -7.338 1.00 5.45 C ATOM 300 C LYS A 17 -9.132 27.302 -7.025 1.00 72.45 C ATOM 301 O LYS A 17 -9.366 28.491 -7.237 1.00 34.25 O ATOM 302 CB LYS A 17 -7.889 25.663 -8.449 1.00 31.12 C ATOM 303 CG LYS A 17 -7.014 25.951 -9.657 1.00 33.24 C ATOM 304 CD LYS A 17 -6.808 24.707 -10.505 1.00 1.02 C ATOM 305 CE LYS A 17 -7.737 24.693 -11.709 1.00 33.12 C ATOM 306 NZ LYS A 17 -8.313 23.341 -11.950 1.00 23.34 N ATOM 0 H LYS A 17 -6.854 25.148 -6.271 1.00 44.04 H new ATOM 0 HA LYS A 17 -7.107 27.509 -7.676 1.00 5.45 H new ATOM 0 HB2 LYS A 17 -7.628 24.684 -8.047 1.00 31.12 H new ATOM 0 HB3 LYS A 17 -8.930 25.609 -8.769 1.00 31.12 H new ATOM 0 HG2 LYS A 17 -7.473 26.733 -10.262 1.00 33.24 H new ATOM 0 HG3 LYS A 17 -6.048 26.331 -9.325 1.00 33.24 H new ATOM 0 HD2 LYS A 17 -5.773 24.663 -10.843 1.00 1.02 H new ATOM 0 HD3 LYS A 17 -6.984 23.819 -9.898 1.00 1.02 H new ATOM 0 HE2 LYS A 17 -8.544 25.409 -11.553 1.00 33.12 H new ATOM 0 HE3 LYS A 17 -7.189 25.017 -12.594 1.00 33.12 H new ATOM 0 HZ1 LYS A 17 -8.940 23.374 -12.779 1.00 23.34 H new ATOM 0 HZ2 LYS A 17 -7.545 22.662 -12.124 1.00 23.34 H new ATOM 0 HZ3 LYS A 17 -8.857 23.042 -11.116 1.00 23.34 H new ATOM 320 N GLY A 18 -10.034 26.465 -6.520 1.00 51.40 N ATOM 321 CA GLY A 18 -11.369 26.927 -6.186 1.00 3.31 C ATOM 322 C GLY A 18 -11.352 28.127 -5.259 1.00 71.23 C ATOM 323 O GLY A 18 -12.034 29.122 -5.507 1.00 24.12 O ATOM 0 H GLY A 18 -9.864 25.476 -6.336 1.00 51.40 H new ATOM 0 HA2 GLY A 18 -11.900 27.187 -7.102 1.00 3.31 H new ATOM 0 HA3 GLY A 18 -11.924 26.116 -5.715 1.00 3.31 H new ATOM 327 N LYS A 19 -10.573 28.034 -4.187 1.00 64.43 N ATOM 328 CA LYS A 19 -10.469 29.119 -3.219 1.00 73.21 C ATOM 329 C LYS A 19 -10.148 30.439 -3.913 1.00 75.42 C ATOM 330 O LYS A 19 -10.884 31.417 -3.780 1.00 41.02 O ATOM 331 CB LYS A 19 -9.392 28.802 -2.180 1.00 23.22 C ATOM 332 CG LYS A 19 -9.684 29.378 -0.805 1.00 72.21 C ATOM 333 CD LYS A 19 -8.707 30.484 -0.445 1.00 12.33 C ATOM 334 CE LYS A 19 -7.617 29.983 0.490 1.00 35.25 C ATOM 335 NZ LYS A 19 -8.178 29.478 1.775 1.00 64.24 N ATOM 0 H LYS A 19 -10.004 27.217 -3.966 1.00 64.43 H new ATOM 0 HA LYS A 19 -11.432 29.217 -2.717 1.00 73.21 H new ATOM 0 HB2 LYS A 19 -9.287 27.720 -2.097 1.00 23.22 H new ATOM 0 HB3 LYS A 19 -8.435 29.189 -2.531 1.00 23.22 H new ATOM 0 HG2 LYS A 19 -10.701 29.768 -0.782 1.00 72.21 H new ATOM 0 HG3 LYS A 19 -9.629 28.586 -0.058 1.00 72.21 H new ATOM 0 HD2 LYS A 19 -8.254 30.881 -1.354 1.00 12.33 H new ATOM 0 HD3 LYS A 19 -9.244 31.306 0.028 1.00 12.33 H new ATOM 0 HE2 LYS A 19 -7.056 29.187 0.001 1.00 35.25 H new ATOM 0 HE3 LYS A 19 -6.913 30.790 0.693 1.00 35.25 H new ATOM 0 HZ1 LYS A 19 -7.485 29.623 2.537 1.00 64.24 H new ATOM 0 HZ2 LYS A 19 -9.052 29.995 1.999 1.00 64.24 H new ATOM 0 HZ3 LYS A 19 -8.389 28.463 1.687 1.00 64.24 H new ATOM 349 N LYS A 20 -9.047 30.459 -4.655 1.00 64.15 N ATOM 350 CA LYS A 20 -8.629 31.657 -5.373 1.00 51.25 C ATOM 351 C LYS A 20 -9.750 32.173 -6.270 1.00 34.21 C ATOM 352 O LYS A 20 -9.995 33.378 -6.345 1.00 23.20 O ATOM 353 CB LYS A 20 -7.384 31.365 -6.213 1.00 44.55 C ATOM 354 CG LYS A 20 -6.198 30.882 -5.396 1.00 73.21 C ATOM 355 CD LYS A 20 -5.441 32.042 -4.772 1.00 22.21 C ATOM 356 CE LYS A 20 -4.230 32.430 -5.606 1.00 42.11 C ATOM 357 NZ LYS A 20 -4.450 33.705 -6.344 1.00 30.31 N ATOM 0 H LYS A 20 -8.427 29.658 -4.775 1.00 64.15 H new ATOM 0 HA LYS A 20 -8.392 32.426 -4.638 1.00 51.25 H new ATOM 0 HB2 LYS A 20 -7.630 30.612 -6.962 1.00 44.55 H new ATOM 0 HB3 LYS A 20 -7.099 32.269 -6.752 1.00 44.55 H new ATOM 0 HG2 LYS A 20 -6.545 30.209 -4.612 1.00 73.21 H new ATOM 0 HG3 LYS A 20 -5.525 30.308 -6.034 1.00 73.21 H new ATOM 0 HD2 LYS A 20 -6.106 32.900 -4.673 1.00 22.21 H new ATOM 0 HD3 LYS A 20 -5.120 31.769 -3.767 1.00 22.21 H new ATOM 0 HE2 LYS A 20 -3.360 32.531 -4.957 1.00 42.11 H new ATOM 0 HE3 LYS A 20 -4.008 31.633 -6.316 1.00 42.11 H new ATOM 0 HZ1 LYS A 20 -3.602 33.935 -6.900 1.00 30.31 H new ATOM 0 HZ2 LYS A 20 -5.265 33.601 -6.982 1.00 30.31 H new ATOM 0 HZ3 LYS A 20 -4.637 34.471 -5.666 1.00 30.31 H new ATOM 473 N PHE A 27 -16.332 35.194 -8.704 1.00 54.32 N ATOM 474 CA PHE A 27 -17.228 35.198 -7.553 1.00 42.12 C ATOM 475 C PHE A 27 -18.502 35.981 -7.858 1.00 23.23 C ATOM 476 O PHE A 27 -19.571 35.680 -7.327 1.00 73.33 O ATOM 477 CB PHE A 27 -16.524 35.800 -6.335 1.00 54.42 C ATOM 478 CG PHE A 27 -17.233 36.996 -5.764 1.00 63.42 C ATOM 479 CD1 PHE A 27 -18.294 36.835 -4.888 1.00 51.11 C ATOM 480 CD2 PHE A 27 -16.837 38.279 -6.103 1.00 43.30 C ATOM 481 CE1 PHE A 27 -18.948 37.933 -4.362 1.00 40.20 C ATOM 482 CE2 PHE A 27 -17.487 39.381 -5.580 1.00 4.43 C ATOM 483 CZ PHE A 27 -18.543 39.208 -4.707 1.00 60.12 C ATOM 0 HA PHE A 27 -17.502 34.166 -7.333 1.00 42.12 H new ATOM 0 HB2 PHE A 27 -16.436 35.037 -5.562 1.00 54.42 H new ATOM 0 HB3 PHE A 27 -15.511 36.088 -6.616 1.00 54.42 H new ATOM 0 HD1 PHE A 27 -18.614 35.841 -4.613 1.00 51.11 H new ATOM 0 HD2 PHE A 27 -16.011 38.420 -6.784 1.00 43.30 H new ATOM 0 HE1 PHE A 27 -19.775 37.794 -3.682 1.00 40.20 H new ATOM 0 HE2 PHE A 27 -17.169 40.376 -5.854 1.00 4.43 H new ATOM 0 HZ PHE A 27 -19.051 40.067 -4.295 1.00 60.12 H new ATOM 493 N LYS A 28 -18.379 36.988 -8.715 1.00 51.14 N ATOM 494 CA LYS A 28 -19.519 37.815 -9.093 1.00 0.43 C ATOM 495 C LYS A 28 -20.561 36.995 -9.846 1.00 33.24 C ATOM 496 O LYS A 28 -21.712 36.893 -9.420 1.00 53.23 O ATOM 497 CB LYS A 28 -19.058 38.991 -9.957 1.00 71.04 C ATOM 498 CG LYS A 28 -18.566 40.181 -9.153 1.00 5.41 C ATOM 499 CD LYS A 28 -17.441 40.911 -9.869 1.00 12.25 C ATOM 500 CE LYS A 28 -17.767 42.384 -10.062 1.00 10.33 C ATOM 501 NZ LYS A 28 -17.675 43.145 -8.785 1.00 24.12 N ATOM 0 H LYS A 28 -17.501 37.252 -9.162 1.00 51.14 H new ATOM 0 HA LYS A 28 -19.975 38.199 -8.181 1.00 0.43 H new ATOM 0 HB2 LYS A 28 -18.259 38.654 -10.617 1.00 71.04 H new ATOM 0 HB3 LYS A 28 -19.884 39.309 -10.593 1.00 71.04 H new ATOM 0 HG2 LYS A 28 -19.393 40.869 -8.976 1.00 5.41 H new ATOM 0 HG3 LYS A 28 -18.218 39.843 -8.177 1.00 5.41 H new ATOM 0 HD2 LYS A 28 -16.519 40.813 -9.295 1.00 12.25 H new ATOM 0 HD3 LYS A 28 -17.264 40.446 -10.839 1.00 12.25 H new ATOM 0 HE2 LYS A 28 -17.081 42.815 -10.792 1.00 10.33 H new ATOM 0 HE3 LYS A 28 -18.772 42.483 -10.472 1.00 10.33 H new ATOM 0 HZ1 LYS A 28 -17.904 44.144 -8.959 1.00 24.12 H new ATOM 0 HZ2 LYS A 28 -18.347 42.750 -8.097 1.00 24.12 H new ATOM 0 HZ3 LYS A 28 -16.709 43.072 -8.406 1.00 24.12 H new ATOM 515 N LYS A 29 -20.151 36.409 -10.965 1.00 42.45 N ATOM 516 CA LYS A 29 -21.048 35.595 -11.777 1.00 25.12 C ATOM 517 C LYS A 29 -21.504 34.359 -11.009 1.00 30.51 C ATOM 518 O LYS A 29 -22.679 33.994 -11.043 1.00 63.44 O ATOM 519 CB LYS A 29 -20.354 35.175 -13.075 1.00 33.11 C ATOM 520 CG LYS A 29 -19.801 36.342 -13.874 1.00 51.11 C ATOM 521 CD LYS A 29 -20.892 37.043 -14.666 1.00 35.21 C ATOM 522 CE LYS A 29 -20.340 38.219 -15.456 1.00 61.03 C ATOM 523 NZ LYS A 29 -20.491 39.503 -14.718 1.00 2.32 N ATOM 0 H LYS A 29 -19.202 36.483 -11.331 1.00 42.45 H new ATOM 0 HA LYS A 29 -21.925 36.195 -12.019 1.00 25.12 H new ATOM 0 HB2 LYS A 29 -19.540 34.490 -12.837 1.00 33.11 H new ATOM 0 HB3 LYS A 29 -21.062 34.625 -13.694 1.00 33.11 H new ATOM 0 HG2 LYS A 29 -19.326 37.054 -13.199 1.00 51.11 H new ATOM 0 HG3 LYS A 29 -19.029 35.984 -14.555 1.00 51.11 H new ATOM 0 HD2 LYS A 29 -21.361 36.334 -15.348 1.00 35.21 H new ATOM 0 HD3 LYS A 29 -21.669 37.393 -13.986 1.00 35.21 H new ATOM 0 HE2 LYS A 29 -19.286 38.047 -15.674 1.00 61.03 H new ATOM 0 HE3 LYS A 29 -20.856 38.288 -16.413 1.00 61.03 H new ATOM 0 HZ1 LYS A 29 -20.103 40.280 -15.290 1.00 2.32 H new ATOM 0 HZ2 LYS A 29 -21.499 39.680 -14.532 1.00 2.32 H new ATOM 0 HZ3 LYS A 29 -19.977 39.447 -13.816 1.00 2.32 H new ATOM 537 N ALA A 30 -20.568 33.719 -10.316 1.00 3.15 N ATOM 538 CA ALA A 30 -20.875 32.526 -9.536 1.00 52.14 C ATOM 539 C ALA A 30 -21.964 32.808 -8.507 1.00 12.30 C ATOM 540 O ALA A 30 -22.902 32.025 -8.350 1.00 12.42 O ATOM 541 CB ALA A 30 -19.620 32.006 -8.851 1.00 75.40 C ATOM 0 H ALA A 30 -19.590 34.007 -10.279 1.00 3.15 H new ATOM 0 HA ALA A 30 -21.246 31.761 -10.218 1.00 52.14 H new ATOM 0 HB1 ALA A 30 -19.864 31.115 -8.272 1.00 75.40 H new ATOM 0 HB2 ALA A 30 -18.872 31.756 -9.603 1.00 75.40 H new ATOM 0 HB3 ALA A 30 -19.224 32.773 -8.186 1.00 75.40 H new ATOM 547 N LEU A 31 -21.834 33.930 -7.807 1.00 50.04 N ATOM 548 CA LEU A 31 -22.807 34.316 -6.792 1.00 35.55 C ATOM 549 C LEU A 31 -24.154 34.648 -7.426 1.00 51.11 C ATOM 550 O LEU A 31 -25.165 34.009 -7.134 1.00 52.11 O ATOM 551 CB LEU A 31 -22.295 35.517 -5.996 1.00 50.40 C ATOM 552 CG LEU A 31 -23.210 36.023 -4.880 1.00 24.44 C ATOM 553 CD1 LEU A 31 -23.288 35.005 -3.752 1.00 4.20 C ATOM 554 CD2 LEU A 31 -22.721 37.365 -4.356 1.00 44.22 C ATOM 0 H LEU A 31 -21.064 34.588 -7.924 1.00 50.04 H new ATOM 0 HA LEU A 31 -22.943 33.472 -6.116 1.00 35.55 H new ATOM 0 HB2 LEU A 31 -21.333 35.253 -5.558 1.00 50.40 H new ATOM 0 HB3 LEU A 31 -22.115 36.337 -6.691 1.00 50.40 H new ATOM 0 HG LEU A 31 -24.211 36.159 -5.290 1.00 24.44 H new ATOM 0 HD11 LEU A 31 -23.943 35.382 -2.967 1.00 4.20 H new ATOM 0 HD12 LEU A 31 -23.685 34.066 -4.137 1.00 4.20 H new ATOM 0 HD13 LEU A 31 -22.291 34.837 -3.344 1.00 4.20 H new ATOM 0 HD21 LEU A 31 -23.384 37.709 -3.563 1.00 44.22 H new ATOM 0 HD22 LEU A 31 -21.711 37.256 -3.962 1.00 44.22 H new ATOM 0 HD23 LEU A 31 -22.717 38.093 -5.167 1.00 44.22 H new ATOM 566 N LYS A 32 -24.160 35.651 -8.298 1.00 20.13 N ATOM 567 CA LYS A 32 -25.381 36.067 -8.978 1.00 1.25 C ATOM 568 C LYS A 32 -26.078 34.874 -9.624 1.00 45.20 C ATOM 569 O LYS A 32 -27.235 34.580 -9.323 1.00 5.22 O ATOM 570 CB LYS A 32 -25.063 37.123 -10.039 1.00 74.32 C ATOM 571 CG LYS A 32 -25.269 38.549 -9.559 1.00 54.15 C ATOM 572 CD LYS A 32 -24.142 39.459 -10.016 1.00 41.45 C ATOM 573 CE LYS A 32 -24.133 40.768 -9.241 1.00 61.10 C ATOM 574 NZ LYS A 32 -24.142 41.950 -10.147 1.00 65.31 N ATOM 0 H LYS A 32 -23.332 36.191 -8.550 1.00 20.13 H new ATOM 0 HA LYS A 32 -26.052 36.498 -8.235 1.00 1.25 H new ATOM 0 HB2 LYS A 32 -24.028 37.003 -10.361 1.00 74.32 H new ATOM 0 HB3 LYS A 32 -25.691 36.948 -10.913 1.00 74.32 H new ATOM 0 HG2 LYS A 32 -26.219 38.927 -9.936 1.00 54.15 H new ATOM 0 HG3 LYS A 32 -25.330 38.562 -8.471 1.00 54.15 H new ATOM 0 HD2 LYS A 32 -23.187 38.951 -9.885 1.00 41.45 H new ATOM 0 HD3 LYS A 32 -24.249 39.666 -11.081 1.00 41.45 H new ATOM 0 HE2 LYS A 32 -25.002 40.807 -8.585 1.00 61.10 H new ATOM 0 HE3 LYS A 32 -23.250 40.806 -8.603 1.00 61.10 H new ATOM 0 HZ1 LYS A 32 -24.135 42.822 -9.580 1.00 65.31 H new ATOM 0 HZ2 LYS A 32 -23.299 41.927 -10.756 1.00 65.31 H new ATOM 0 HZ3 LYS A 32 -24.997 41.928 -10.738 1.00 65.31 H new ATOM 588 N PHE A 33 -25.366 34.189 -10.513 1.00 5.41 N ATOM 589 CA PHE A 33 -25.916 33.028 -11.201 1.00 63.45 C ATOM 590 C PHE A 33 -26.451 32.006 -10.202 1.00 51.32 C ATOM 591 O PHE A 33 -27.609 31.597 -10.276 1.00 41.12 O ATOM 592 CB PHE A 33 -24.849 32.381 -12.087 1.00 62.41 C ATOM 593 CG PHE A 33 -25.401 31.363 -13.044 1.00 44.12 C ATOM 594 CD1 PHE A 33 -26.480 31.671 -13.857 1.00 22.10 C ATOM 595 CD2 PHE A 33 -24.840 30.099 -13.132 1.00 0.14 C ATOM 596 CE1 PHE A 33 -26.990 30.736 -14.738 1.00 1.11 C ATOM 597 CE2 PHE A 33 -25.346 29.160 -14.011 1.00 44.20 C ATOM 598 CZ PHE A 33 -26.421 29.480 -14.816 1.00 34.30 C ATOM 0 H PHE A 33 -24.407 34.418 -10.773 1.00 5.41 H new ATOM 0 HA PHE A 33 -26.742 33.366 -11.826 1.00 63.45 H new ATOM 0 HB2 PHE A 33 -24.337 33.159 -12.653 1.00 62.41 H new ATOM 0 HB3 PHE A 33 -24.102 31.904 -11.453 1.00 62.41 H new ATOM 0 HD1 PHE A 33 -26.927 32.652 -13.802 1.00 22.10 H new ATOM 0 HD2 PHE A 33 -23.997 29.845 -12.506 1.00 0.14 H new ATOM 0 HE1 PHE A 33 -27.833 30.987 -15.365 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.901 28.178 -14.068 1.00 44.20 H new ATOM 0 HZ PHE A 33 -26.816 28.749 -15.506 1.00 34.30 H new ATOM 608 N GLY A 34 -25.598 31.598 -9.268 1.00 10.05 N ATOM 609 CA GLY A 34 -26.002 30.628 -8.267 1.00 73.41 C ATOM 610 C GLY A 34 -27.280 31.026 -7.556 1.00 1.45 C ATOM 611 O GLY A 34 -28.229 30.245 -7.482 1.00 4.13 O ATOM 0 H GLY A 34 -24.634 31.922 -9.186 1.00 10.05 H new ATOM 0 HA2 GLY A 34 -26.142 29.657 -8.742 1.00 73.41 H new ATOM 0 HA3 GLY A 34 -25.203 30.512 -7.534 1.00 73.41 H new ATOM 615 N LYS A 35 -27.306 32.246 -7.028 1.00 62.23 N ATOM 616 CA LYS A 35 -28.476 32.748 -6.318 1.00 41.21 C ATOM 617 C LYS A 35 -29.728 32.629 -7.180 1.00 74.14 C ATOM 618 O LYS A 35 -30.683 31.944 -6.812 1.00 45.33 O ATOM 619 CB LYS A 35 -28.262 34.207 -5.909 1.00 53.54 C ATOM 620 CG LYS A 35 -28.898 34.565 -4.577 1.00 53.34 C ATOM 621 CD LYS A 35 -28.190 35.737 -3.918 1.00 71.11 C ATOM 622 CE LYS A 35 -29.030 37.004 -3.983 1.00 23.45 C ATOM 623 NZ LYS A 35 -28.634 37.874 -5.124 1.00 43.10 N ATOM 0 H LYS A 35 -26.529 32.905 -7.079 1.00 62.23 H new ATOM 0 HA LYS A 35 -28.614 32.142 -5.422 1.00 41.21 H new ATOM 0 HB2 LYS A 35 -27.192 34.408 -5.857 1.00 53.54 H new ATOM 0 HB3 LYS A 35 -28.671 34.856 -6.683 1.00 53.54 H new ATOM 0 HG2 LYS A 35 -29.949 34.812 -4.729 1.00 53.34 H new ATOM 0 HG3 LYS A 35 -28.867 33.700 -3.914 1.00 53.34 H new ATOM 0 HD2 LYS A 35 -27.975 35.495 -2.877 1.00 71.11 H new ATOM 0 HD3 LYS A 35 -27.233 35.908 -4.410 1.00 71.11 H new ATOM 0 HE2 LYS A 35 -30.083 36.737 -4.078 1.00 23.45 H new ATOM 0 HE3 LYS A 35 -28.924 37.558 -3.050 1.00 23.45 H new ATOM 0 HZ1 LYS A 35 -29.230 38.727 -5.134 1.00 43.10 H new ATOM 0 HZ2 LYS A 35 -27.637 38.150 -5.021 1.00 43.10 H new ATOM 0 HZ3 LYS A 35 -28.759 37.355 -6.016 1.00 43.10 H new ATOM 637 N GLN A 36 -29.717 33.298 -8.329 1.00 1.13 N ATOM 638 CA GLN A 36 -30.852 33.265 -9.243 1.00 14.42 C ATOM 639 C GLN A 36 -31.241 31.829 -9.576 1.00 75.04 C ATOM 640 O GLN A 36 -32.409 31.535 -9.835 1.00 54.01 O ATOM 641 CB GLN A 36 -30.523 34.028 -10.527 1.00 4.41 C ATOM 642 CG GLN A 36 -31.644 34.940 -10.998 1.00 0.22 C ATOM 643 CD GLN A 36 -32.528 34.287 -12.042 1.00 30.23 C ATOM 644 OE1 GLN A 36 -32.097 33.385 -12.761 1.00 22.25 O ATOM 645 NE2 GLN A 36 -33.773 34.739 -12.131 1.00 12.53 N ATOM 0 H GLN A 36 -28.935 33.869 -8.648 1.00 1.13 H new ATOM 0 HA GLN A 36 -31.697 33.746 -8.750 1.00 14.42 H new ATOM 0 HB2 GLN A 36 -29.625 34.624 -10.365 1.00 4.41 H new ATOM 0 HB3 GLN A 36 -30.293 33.312 -11.316 1.00 4.41 H new ATOM 0 HG2 GLN A 36 -32.253 35.232 -10.143 1.00 0.22 H new ATOM 0 HG3 GLN A 36 -31.215 35.853 -11.410 1.00 0.22 H new ATOM 0 HE21 GLN A 36 -34.089 35.488 -11.515 1.00 12.53 H new ATOM 0 HE22 GLN A 36 -34.414 34.337 -12.815 1.00 12.53 H new ATOM 654 N LEU A 37 -30.256 30.938 -9.569 1.00 74.23 N ATOM 655 CA LEU A 37 -30.495 29.531 -9.872 1.00 34.24 C ATOM 656 C LEU A 37 -31.359 28.882 -8.795 1.00 73.41 C ATOM 657 O LEU A 37 -32.457 28.399 -9.073 1.00 43.22 O ATOM 658 CB LEU A 37 -29.167 28.783 -9.995 1.00 60.45 C ATOM 659 CG LEU A 37 -28.884 28.138 -11.353 1.00 4.21 C ATOM 660 CD1 LEU A 37 -30.017 27.204 -11.748 1.00 12.54 C ATOM 661 CD2 LEU A 37 -28.675 29.206 -12.417 1.00 24.11 C ATOM 0 H LEU A 37 -29.284 31.165 -9.357 1.00 74.23 H new ATOM 0 HA LEU A 37 -31.026 29.474 -10.822 1.00 34.24 H new ATOM 0 HB2 LEU A 37 -28.359 29.479 -9.770 1.00 60.45 H new ATOM 0 HB3 LEU A 37 -29.139 28.005 -9.232 1.00 60.45 H new ATOM 0 HG LEU A 37 -27.969 27.551 -11.271 1.00 4.21 H new ATOM 0 HD11 LEU A 37 -29.797 26.755 -12.717 1.00 12.54 H new ATOM 0 HD12 LEU A 37 -30.119 26.419 -10.999 1.00 12.54 H new ATOM 0 HD13 LEU A 37 -30.948 27.768 -11.812 1.00 12.54 H new ATOM 0 HD21 LEU A 37 -28.475 28.729 -13.377 1.00 24.11 H new ATOM 0 HD22 LEU A 37 -29.572 29.820 -12.497 1.00 24.11 H new ATOM 0 HD23 LEU A 37 -27.828 29.834 -12.140 1.00 24.11 H new ATOM 673 N ALA A 38 -30.857 28.875 -7.565 1.00 0.43 N ATOM 674 CA ALA A 38 -31.584 28.290 -6.446 1.00 34.35 C ATOM 675 C ALA A 38 -32.884 29.042 -6.182 1.00 12.34 C ATOM 676 O ALA A 38 -33.844 28.479 -5.656 1.00 34.14 O ATOM 677 CB ALA A 38 -30.715 28.281 -5.197 1.00 65.13 C ATOM 0 H ALA A 38 -29.949 29.268 -7.318 1.00 0.43 H new ATOM 0 HA ALA A 38 -31.836 27.262 -6.707 1.00 34.35 H new ATOM 0 HB1 ALA A 38 -31.272 27.841 -4.370 1.00 65.13 H new ATOM 0 HB2 ALA A 38 -29.816 27.693 -5.383 1.00 65.13 H new ATOM 0 HB3 ALA A 38 -30.433 29.303 -4.942 1.00 65.13 H new ATOM 683 N LYS A 39 -32.908 30.319 -6.549 1.00 73.11 N ATOM 684 CA LYS A 39 -34.090 31.150 -6.353 1.00 33.11 C ATOM 685 C LYS A 39 -35.320 30.505 -6.986 1.00 5.44 C ATOM 686 O LYS A 39 -36.446 30.730 -6.544 1.00 63.23 O ATOM 687 CB LYS A 39 -33.866 32.541 -6.950 1.00 60.24 C ATOM 688 CG LYS A 39 -33.497 33.593 -5.919 1.00 52.44 C ATOM 689 CD LYS A 39 -34.618 34.600 -5.725 1.00 53.50 C ATOM 690 CE LYS A 39 -35.889 33.931 -5.224 1.00 64.41 C ATOM 691 NZ LYS A 39 -36.603 34.773 -4.225 1.00 61.30 N ATOM 0 H LYS A 39 -32.122 30.801 -6.984 1.00 73.11 H new ATOM 0 HA LYS A 39 -34.263 31.245 -5.281 1.00 33.11 H new ATOM 0 HB2 LYS A 39 -33.075 32.483 -7.697 1.00 60.24 H new ATOM 0 HB3 LYS A 39 -34.772 32.855 -7.469 1.00 60.24 H new ATOM 0 HG2 LYS A 39 -33.273 33.109 -4.968 1.00 52.44 H new ATOM 0 HG3 LYS A 39 -32.592 34.111 -6.235 1.00 52.44 H new ATOM 0 HD2 LYS A 39 -34.303 35.364 -5.014 1.00 53.50 H new ATOM 0 HD3 LYS A 39 -34.820 35.107 -6.669 1.00 53.50 H new ATOM 0 HE2 LYS A 39 -36.550 33.729 -6.067 1.00 64.41 H new ATOM 0 HE3 LYS A 39 -35.641 32.969 -4.776 1.00 64.41 H new ATOM 0 HZ1 LYS A 39 -37.463 34.282 -3.908 1.00 61.30 H new ATOM 0 HZ2 LYS A 39 -35.982 34.945 -3.409 1.00 61.30 H new ATOM 0 HZ3 LYS A 39 -36.863 35.682 -4.659 1.00 61.30 H new