USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 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 23 ASN : amide:sc= 2.78 K(o=2.8,f=-12!) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.383 (180deg=-0.0164) USER MOD Single : A 2 SER OG : rot 180:sc= 0.536 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.076 USER MOD Single : A 15 SER OG : rot 43:sc= 0.69 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0767 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-5.4!) USER MOD Single : A 27 ASN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 29 SER OG : rot 156:sc= 0.669 USER MOD Single : A 30 GLN : amide:sc= 1.46 K(o=1.5,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.765 6.798 2.608 1.00 1.00 N ATOM 2 CA GLY A 1 -10.355 7.203 2.496 1.00 1.00 C ATOM 3 C GLY A 1 -10.078 7.785 1.126 1.00 1.00 C ATOM 4 O GLY A 1 -10.878 8.576 0.625 1.00 1.00 O ATOM 0 H1 GLY A 1 -11.830 5.915 3.154 1.00 1.00 H new ATOM 0 H2 GLY A 1 -12.303 7.545 3.092 1.00 1.00 H new ATOM 0 H3 GLY A 1 -12.159 6.647 1.658 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -10.120 7.939 3.265 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.708 6.343 2.670 1.00 1.00 H new ATOM 10 N SER A 2 -8.942 7.427 0.530 1.00 1.00 N ATOM 11 CA SER A 2 -8.408 8.060 -0.662 1.00 1.00 C ATOM 12 C SER A 2 -8.232 7.019 -1.762 1.00 1.00 C ATOM 13 O SER A 2 -7.129 6.530 -1.999 1.00 1.00 O ATOM 14 CB SER A 2 -7.103 8.792 -0.322 1.00 1.00 C ATOM 15 OG SER A 2 -7.230 9.520 0.888 1.00 1.00 O ATOM 0 H SER A 2 -8.356 6.667 0.877 1.00 1.00 H new ATOM 0 HA SER A 2 -9.106 8.809 -1.037 1.00 1.00 H new ATOM 0 HB2 SER A 2 -6.290 8.071 -0.234 1.00 1.00 H new ATOM 0 HB3 SER A 2 -6.840 9.471 -1.133 1.00 1.00 H new ATOM 0 HG SER A 2 -6.386 9.977 1.085 1.00 1.00 H new ATOM 21 N LYS A 3 -9.332 6.658 -2.425 1.00 1.00 N ATOM 22 CA LYS A 3 -9.432 5.765 -3.586 1.00 1.00 C ATOM 23 C LYS A 3 -9.067 4.298 -3.308 1.00 1.00 C ATOM 24 O LYS A 3 -9.656 3.418 -3.938 1.00 1.00 O ATOM 25 CB LYS A 3 -8.650 6.360 -4.779 1.00 1.00 C ATOM 26 CG LYS A 3 -9.274 6.007 -6.139 1.00 1.00 C ATOM 27 CD LYS A 3 -8.483 6.639 -7.292 1.00 1.00 C ATOM 28 CE LYS A 3 -9.156 6.430 -8.658 1.00 1.00 C ATOM 29 NZ LYS A 3 -8.385 5.508 -9.518 1.00 1.00 N ATOM 0 H LYS A 3 -10.248 7.008 -2.144 1.00 1.00 H new ATOM 0 HA LYS A 3 -10.489 5.714 -3.846 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -8.608 7.444 -4.675 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.623 5.997 -4.751 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -9.298 4.924 -6.261 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.307 6.354 -6.170 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.370 7.707 -7.107 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.480 6.212 -7.316 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.161 6.034 -8.511 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.263 7.391 -9.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.873 5.394 -10.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -7.434 5.898 -9.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -8.305 4.583 -9.050 1.00 1.00 H new ATOM 43 N LEU A 4 -8.107 3.990 -2.435 1.00 1.00 N ATOM 44 CA LEU A 4 -7.709 2.623 -2.093 1.00 1.00 C ATOM 45 C LEU A 4 -8.846 1.943 -1.290 1.00 1.00 C ATOM 46 O LEU A 4 -9.455 2.615 -0.454 1.00 1.00 O ATOM 47 CB LEU A 4 -6.393 2.649 -1.284 1.00 1.00 C ATOM 48 CG LEU A 4 -5.112 3.013 -2.054 1.00 1.00 C ATOM 49 CD1 LEU A 4 -3.938 3.289 -1.106 1.00 1.00 C ATOM 50 CD2 LEU A 4 -4.648 1.855 -2.913 1.00 1.00 C ATOM 0 H LEU A 4 -7.572 4.700 -1.934 1.00 1.00 H new ATOM 0 HA LEU A 4 -7.536 2.048 -3.002 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.511 3.360 -0.466 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.251 1.666 -0.834 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.368 3.893 -2.645 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -3.052 3.542 -1.688 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -4.190 4.120 -0.448 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.737 2.400 -0.508 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.741 2.138 -3.447 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -4.442 0.992 -2.280 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -5.427 1.600 -3.632 1.00 1.00 H new ATOM 62 N PRO A 5 -9.122 0.638 -1.485 1.00 1.00 N ATOM 63 CA PRO A 5 -10.061 -0.140 -0.671 1.00 1.00 C ATOM 64 C PRO A 5 -9.462 -0.546 0.678 1.00 1.00 C ATOM 65 O PRO A 5 -8.253 -0.438 0.836 1.00 1.00 O ATOM 66 CB PRO A 5 -10.321 -1.415 -1.469 1.00 1.00 C ATOM 67 CG PRO A 5 -9.152 -1.575 -2.436 1.00 1.00 C ATOM 68 CD PRO A 5 -8.452 -0.218 -2.446 1.00 1.00 C ATOM 0 HA PRO A 5 -10.954 0.451 -0.467 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -10.396 -2.277 -0.807 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -11.264 -1.347 -2.011 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -8.476 -2.365 -2.109 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -9.500 -1.846 -3.433 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -7.399 -0.330 -2.188 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -8.490 0.224 -3.442 1.00 1.00 H new ATOM 76 N PRO A 6 -10.228 -1.117 1.623 1.00 1.00 N ATOM 77 CA PRO A 6 -9.632 -1.855 2.731 1.00 1.00 C ATOM 78 C PRO A 6 -8.959 -3.139 2.200 1.00 1.00 C ATOM 79 O PRO A 6 -9.127 -3.496 1.034 1.00 1.00 O ATOM 80 CB PRO A 6 -10.804 -2.153 3.666 1.00 1.00 C ATOM 81 CG PRO A 6 -11.975 -2.327 2.699 1.00 1.00 C ATOM 82 CD PRO A 6 -11.665 -1.337 1.578 1.00 1.00 C ATOM 0 HA PRO A 6 -8.849 -1.304 3.252 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -10.631 -3.052 4.257 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -10.978 -1.338 4.369 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -12.038 -3.349 2.325 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -12.928 -2.104 3.179 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -11.968 -1.736 0.610 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -12.207 -0.403 1.722 1.00 1.00 H new ATOM 90 N GLY A 7 -8.168 -3.833 3.023 1.00 1.00 N ATOM 91 CA GLY A 7 -7.410 -5.011 2.602 1.00 1.00 C ATOM 92 C GLY A 7 -5.899 -4.778 2.520 1.00 1.00 C ATOM 93 O GLY A 7 -5.241 -5.482 1.757 1.00 1.00 O ATOM 0 H GLY A 7 -8.036 -3.591 4.005 1.00 1.00 H new ATOM 0 HA2 GLY A 7 -7.605 -5.825 3.300 1.00 1.00 H new ATOM 0 HA3 GLY A 7 -7.772 -5.334 1.626 1.00 1.00 H new ATOM 97 N TRP A 8 -5.336 -3.783 3.217 1.00 1.00 N ATOM 98 CA TRP A 8 -4.000 -3.268 2.931 1.00 1.00 C ATOM 99 C TRP A 8 -3.087 -3.215 4.160 1.00 1.00 C ATOM 100 O TRP A 8 -3.532 -3.083 5.303 1.00 1.00 O ATOM 101 CB TRP A 8 -4.148 -1.880 2.299 1.00 1.00 C ATOM 102 CG TRP A 8 -4.720 -1.851 0.912 1.00 1.00 C ATOM 103 CD1 TRP A 8 -6.000 -2.109 0.565 1.00 1.00 C ATOM 104 CD2 TRP A 8 -4.052 -1.542 -0.345 1.00 1.00 C ATOM 105 NE1 TRP A 8 -6.172 -1.921 -0.778 1.00 1.00 N ATOM 106 CE2 TRP A 8 -4.996 -1.620 -1.403 1.00 1.00 C ATOM 107 CE3 TRP A 8 -2.743 -1.193 -0.706 1.00 1.00 C ATOM 108 CZ2 TRP A 8 -4.656 -1.417 -2.740 1.00 1.00 C ATOM 109 CZ3 TRP A 8 -2.367 -1.019 -2.052 1.00 1.00 C ATOM 110 CH2 TRP A 8 -3.317 -1.160 -3.081 1.00 1.00 C ATOM 0 H TRP A 8 -5.799 -3.314 3.996 1.00 1.00 H new ATOM 0 HA TRP A 8 -3.512 -3.958 2.243 1.00 1.00 H new ATOM 0 HB2 TRP A 8 -4.782 -1.273 2.946 1.00 1.00 H new ATOM 0 HB3 TRP A 8 -3.167 -1.405 2.277 1.00 1.00 H new ATOM 0 HD1 TRP A 8 -6.775 -2.419 1.250 1.00 1.00 H new ATOM 0 HE1 TRP A 8 -7.070 -1.996 -1.255 1.00 1.00 H new ATOM 0 HE3 TRP A 8 -2.003 -1.054 0.069 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 -5.415 -1.457 -3.507 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 -1.343 -0.776 -2.296 1.00 1.00 H new ATOM 0 HH2 TRP A 8 -3.022 -1.072 -4.116 1.00 1.00 H new ATOM 121 N GLU A 9 -1.786 -3.226 3.872 1.00 1.00 N ATOM 122 CA GLU A 9 -0.626 -3.128 4.750 1.00 1.00 C ATOM 123 C GLU A 9 0.157 -1.875 4.352 1.00 1.00 C ATOM 124 O GLU A 9 -0.043 -1.354 3.249 1.00 1.00 O ATOM 125 CB GLU A 9 0.286 -4.357 4.559 1.00 1.00 C ATOM 126 CG GLU A 9 -0.436 -5.710 4.473 1.00 1.00 C ATOM 127 CD GLU A 9 -1.487 -5.906 5.564 1.00 1.00 C ATOM 128 OE1 GLU A 9 -1.278 -5.440 6.706 1.00 1.00 O ATOM 129 OE2 GLU A 9 -2.509 -6.572 5.285 1.00 1.00 O ATOM 0 H GLU A 9 -1.488 -3.315 2.901 1.00 1.00 H new ATOM 0 HA GLU A 9 -0.950 -3.080 5.790 1.00 1.00 H new ATOM 0 HB2 GLU A 9 0.868 -4.217 3.648 1.00 1.00 H new ATOM 0 HB3 GLU A 9 0.994 -4.395 5.387 1.00 1.00 H new ATOM 0 HG2 GLU A 9 -0.915 -5.797 3.498 1.00 1.00 H new ATOM 0 HG3 GLU A 9 0.300 -6.511 4.539 1.00 1.00 H new ATOM 136 N LYS A 10 1.095 -1.413 5.182 1.00 1.00 N ATOM 137 CA LYS A 10 2.051 -0.358 4.833 1.00 1.00 C ATOM 138 C LYS A 10 3.416 -1.022 4.741 1.00 1.00 C ATOM 139 O LYS A 10 4.235 -0.973 5.657 1.00 1.00 O ATOM 140 CB LYS A 10 1.995 0.836 5.805 1.00 1.00 C ATOM 141 CG LYS A 10 0.591 1.255 6.253 1.00 1.00 C ATOM 142 CD LYS A 10 -0.406 1.522 5.134 1.00 1.00 C ATOM 143 CE LYS A 10 -1.772 0.851 5.206 1.00 1.00 C ATOM 144 NZ LYS A 10 -2.492 1.135 6.462 1.00 1.00 N ATOM 0 H LYS A 10 1.214 -1.767 6.131 1.00 1.00 H new ATOM 0 HA LYS A 10 1.803 0.095 3.873 1.00 1.00 H new ATOM 0 HB2 LYS A 10 2.582 0.590 6.690 1.00 1.00 H new ATOM 0 HB3 LYS A 10 2.477 1.691 5.331 1.00 1.00 H new ATOM 0 HG2 LYS A 10 0.187 0.474 6.896 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.677 2.156 6.861 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -0.567 2.599 5.083 1.00 1.00 H new ATOM 0 HD3 LYS A 10 0.061 1.225 4.195 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -2.378 1.184 4.364 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -1.646 -0.227 5.102 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -3.413 0.652 6.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -1.931 0.794 7.268 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -2.640 2.160 6.553 1.00 1.00 H new ATOM 158 N ARG A 11 3.618 -1.730 3.636 1.00 1.00 N ATOM 159 CA ARG A 11 4.853 -2.445 3.363 1.00 1.00 C ATOM 160 C ARG A 11 5.929 -1.415 3.038 1.00 1.00 C ATOM 161 O ARG A 11 5.619 -0.249 2.813 1.00 1.00 O ATOM 162 CB ARG A 11 4.592 -3.423 2.211 1.00 1.00 C ATOM 163 CG ARG A 11 4.005 -4.744 2.743 1.00 1.00 C ATOM 164 CD ARG A 11 5.098 -5.740 3.137 1.00 1.00 C ATOM 165 NE ARG A 11 5.831 -6.201 1.944 1.00 1.00 N ATOM 166 CZ ARG A 11 7.109 -6.579 1.887 1.00 1.00 C ATOM 167 NH1 ARG A 11 7.826 -6.726 2.994 1.00 1.00 N ATOM 168 NH2 ARG A 11 7.650 -6.796 0.697 1.00 1.00 N ATOM 0 H ARG A 11 2.920 -1.823 2.898 1.00 1.00 H new ATOM 0 HA ARG A 11 5.199 -3.028 4.217 1.00 1.00 H new ATOM 0 HB2 ARG A 11 3.903 -2.975 1.495 1.00 1.00 H new ATOM 0 HB3 ARG A 11 5.522 -3.621 1.677 1.00 1.00 H new ATOM 0 HG2 ARG A 11 3.374 -4.538 3.607 1.00 1.00 H new ATOM 0 HG3 ARG A 11 3.366 -5.190 1.981 1.00 1.00 H new ATOM 0 HD2 ARG A 11 5.789 -5.272 3.838 1.00 1.00 H new ATOM 0 HD3 ARG A 11 4.653 -6.593 3.650 1.00 1.00 H new ATOM 0 HE ARG A 11 5.306 -6.234 1.070 1.00 1.00 H new ATOM 0 HH11 ARG A 11 7.401 -6.549 3.904 1.00 1.00 H new ATOM 0 HH12 ARG A 11 8.802 -7.016 2.935 1.00 1.00 H new ATOM 0 HH21 ARG A 11 7.091 -6.673 -0.147 1.00 1.00 H new ATOM 0 HH22 ARG A 11 8.625 -7.086 0.625 1.00 1.00 H new ATOM 182 N MET A 12 7.187 -1.837 2.947 1.00 1.00 N ATOM 183 CA MET A 12 8.256 -0.999 2.417 1.00 1.00 C ATOM 184 C MET A 12 8.806 -1.647 1.159 1.00 1.00 C ATOM 185 O MET A 12 8.733 -2.869 0.991 1.00 1.00 O ATOM 186 CB MET A 12 9.329 -0.718 3.475 1.00 1.00 C ATOM 187 CG MET A 12 8.773 0.267 4.505 1.00 1.00 C ATOM 188 SD MET A 12 9.945 0.811 5.770 1.00 1.00 S ATOM 189 CE MET A 12 8.755 1.519 6.938 1.00 1.00 C ATOM 0 H MET A 12 7.492 -2.766 3.238 1.00 1.00 H new ATOM 0 HA MET A 12 7.862 -0.019 2.147 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.626 -1.646 3.964 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.222 -0.306 3.005 1.00 1.00 H new ATOM 0 HG2 MET A 12 8.400 1.145 3.978 1.00 1.00 H new ATOM 0 HG3 MET A 12 7.919 -0.195 5.000 1.00 1.00 H new ATOM 0 HE1 MET A 12 9.286 1.916 7.803 1.00 1.00 H new ATOM 0 HE2 MET A 12 8.202 2.323 6.452 1.00 1.00 H new ATOM 0 HE3 MET A 12 8.059 0.745 7.263 1.00 1.00 H new ATOM 199 N SER A 13 9.254 -0.793 0.241 1.00 1.00 N ATOM 200 CA SER A 13 9.772 -1.156 -1.068 1.00 1.00 C ATOM 201 C SER A 13 11.195 -1.718 -0.900 1.00 1.00 C ATOM 202 O SER A 13 11.465 -2.439 0.062 1.00 1.00 O ATOM 203 CB SER A 13 9.614 0.075 -1.977 1.00 1.00 C ATOM 204 OG SER A 13 9.879 -0.229 -3.331 1.00 1.00 O ATOM 0 H SER A 13 9.265 0.214 0.400 1.00 1.00 H new ATOM 0 HA SER A 13 9.225 -1.960 -1.560 1.00 1.00 H new ATOM 0 HB2 SER A 13 8.601 0.466 -1.885 1.00 1.00 H new ATOM 0 HB3 SER A 13 10.291 0.862 -1.643 1.00 1.00 H new ATOM 0 HG SER A 13 9.766 0.578 -3.876 1.00 1.00 H new ATOM 210 N ARG A 14 12.106 -1.453 -1.845 1.00 1.00 N ATOM 211 CA ARG A 14 13.448 -2.056 -1.902 1.00 1.00 C ATOM 212 C ARG A 14 14.152 -2.032 -0.544 1.00 1.00 C ATOM 213 O ARG A 14 14.780 -3.008 -0.139 1.00 1.00 O ATOM 214 CB ARG A 14 14.283 -1.405 -3.025 1.00 1.00 C ATOM 215 CG ARG A 14 15.143 -2.420 -3.797 1.00 1.00 C ATOM 216 CD ARG A 14 16.475 -2.758 -3.122 1.00 1.00 C ATOM 217 NE ARG A 14 16.938 -4.099 -3.510 1.00 1.00 N ATOM 218 CZ ARG A 14 17.949 -4.763 -2.944 1.00 1.00 C ATOM 219 NH1 ARG A 14 18.792 -4.140 -2.135 1.00 1.00 N ATOM 220 NH2 ARG A 14 18.097 -6.057 -3.200 1.00 1.00 N ATOM 0 H ARG A 14 11.929 -0.800 -2.608 1.00 1.00 H new ATOM 0 HA ARG A 14 13.336 -3.112 -2.150 1.00 1.00 H new ATOM 0 HB2 ARG A 14 13.614 -0.899 -3.721 1.00 1.00 H new ATOM 0 HB3 ARG A 14 14.931 -0.642 -2.593 1.00 1.00 H new ATOM 0 HG2 ARG A 14 14.571 -3.339 -3.927 1.00 1.00 H new ATOM 0 HG3 ARG A 14 15.343 -2.026 -4.793 1.00 1.00 H new ATOM 0 HD2 ARG A 14 17.225 -2.017 -3.398 1.00 1.00 H new ATOM 0 HD3 ARG A 14 16.361 -2.708 -2.039 1.00 1.00 H new ATOM 0 HE ARG A 14 16.446 -4.560 -4.275 1.00 1.00 H new ATOM 0 HH11 ARG A 14 18.672 -3.146 -1.940 1.00 1.00 H new ATOM 0 HH12 ARG A 14 19.562 -4.654 -1.706 1.00 1.00 H new ATOM 0 HH21 ARG A 14 17.443 -6.532 -3.822 1.00 1.00 H new ATOM 0 HH22 ARG A 14 18.865 -6.577 -2.775 1.00 1.00 H new ATOM 234 N SER A 15 14.004 -0.926 0.170 1.00 1.00 N ATOM 235 CA SER A 15 14.174 -0.779 1.591 1.00 1.00 C ATOM 236 C SER A 15 13.542 0.576 1.890 1.00 1.00 C ATOM 237 O SER A 15 12.321 0.691 1.922 1.00 1.00 O ATOM 238 CB SER A 15 15.652 -0.831 1.990 1.00 1.00 C ATOM 239 OG SER A 15 16.162 -2.131 2.178 1.00 1.00 O ATOM 0 H SER A 15 13.742 -0.045 -0.272 1.00 1.00 H new ATOM 0 HA SER A 15 13.711 -1.585 2.160 1.00 1.00 H new ATOM 0 HB2 SER A 15 16.241 -0.331 1.221 1.00 1.00 H new ATOM 0 HB3 SER A 15 15.786 -0.265 2.912 1.00 1.00 H new ATOM 0 HG SER A 15 15.842 -2.715 1.459 1.00 1.00 H new ATOM 245 N SER A 16 14.368 1.619 1.964 1.00 1.00 N ATOM 246 CA SER A 16 14.011 3.007 2.184 1.00 1.00 C ATOM 247 C SER A 16 12.985 3.551 1.184 1.00 1.00 C ATOM 248 O SER A 16 12.334 4.541 1.521 1.00 1.00 O ATOM 249 CB SER A 16 15.311 3.832 2.152 1.00 1.00 C ATOM 250 OG SER A 16 16.249 3.345 1.194 1.00 1.00 O ATOM 0 H SER A 16 15.376 1.500 1.864 1.00 1.00 H new ATOM 0 HA SER A 16 13.517 3.085 3.152 1.00 1.00 H new ATOM 0 HB2 SER A 16 15.072 4.871 1.924 1.00 1.00 H new ATOM 0 HB3 SER A 16 15.769 3.820 3.141 1.00 1.00 H new ATOM 0 HG SER A 16 17.055 3.903 1.212 1.00 1.00 H new ATOM 256 N GLY A 17 12.846 2.932 -0.001 1.00 1.00 N ATOM 257 CA GLY A 17 12.110 3.399 -1.171 1.00 1.00 C ATOM 258 C GLY A 17 10.933 4.304 -0.824 1.00 1.00 C ATOM 259 O GLY A 17 11.019 5.515 -1.023 1.00 1.00 O ATOM 0 H GLY A 17 13.281 2.025 -0.170 1.00 1.00 H new ATOM 0 HA2 GLY A 17 12.792 3.938 -1.829 1.00 1.00 H new ATOM 0 HA3 GLY A 17 11.744 2.537 -1.729 1.00 1.00 H new ATOM 263 N ARG A 18 9.865 3.703 -0.294 1.00 1.00 N ATOM 264 CA ARG A 18 8.637 4.304 0.231 1.00 1.00 C ATOM 265 C ARG A 18 7.920 3.247 1.031 1.00 1.00 C ATOM 266 O ARG A 18 8.141 2.048 0.817 1.00 1.00 O ATOM 267 CB ARG A 18 7.683 4.699 -0.909 1.00 1.00 C ATOM 268 CG ARG A 18 8.106 5.968 -1.675 1.00 1.00 C ATOM 269 CD ARG A 18 6.938 6.894 -2.035 1.00 1.00 C ATOM 270 NE ARG A 18 6.497 7.680 -0.873 1.00 1.00 N ATOM 271 CZ ARG A 18 7.019 8.838 -0.453 1.00 1.00 C ATOM 272 NH1 ARG A 18 8.092 9.356 -1.039 1.00 1.00 N ATOM 273 NH2 ARG A 18 6.473 9.467 0.578 1.00 1.00 N ATOM 0 H ARG A 18 9.836 2.687 -0.214 1.00 1.00 H new ATOM 0 HA ARG A 18 8.902 5.184 0.817 1.00 1.00 H new ATOM 0 HB2 ARG A 18 7.613 3.870 -1.613 1.00 1.00 H new ATOM 0 HB3 ARG A 18 6.686 4.852 -0.497 1.00 1.00 H new ATOM 0 HG2 ARG A 18 8.824 6.523 -1.071 1.00 1.00 H new ATOM 0 HG3 ARG A 18 8.619 5.674 -2.590 1.00 1.00 H new ATOM 0 HD2 ARG A 18 7.240 7.567 -2.838 1.00 1.00 H new ATOM 0 HD3 ARG A 18 6.105 6.301 -2.412 1.00 1.00 H new ATOM 0 HE ARG A 18 5.716 7.305 -0.334 1.00 1.00 H new ATOM 0 HH11 ARG A 18 8.530 8.870 -1.821 1.00 1.00 H new ATOM 0 HH12 ARG A 18 8.478 10.240 -0.707 1.00 1.00 H new ATOM 0 HH21 ARG A 18 5.660 9.068 1.046 1.00 1.00 H new ATOM 0 HH22 ARG A 18 6.866 10.350 0.903 1.00 1.00 H new ATOM 287 N VAL A 19 6.954 3.707 1.822 1.00 1.00 N ATOM 288 CA VAL A 19 5.997 2.859 2.474 1.00 1.00 C ATOM 289 C VAL A 19 4.809 2.756 1.508 1.00 1.00 C ATOM 290 O VAL A 19 3.692 3.182 1.793 1.00 1.00 O ATOM 291 CB VAL A 19 5.799 3.391 3.912 1.00 1.00 C ATOM 292 CG1 VAL A 19 4.775 4.516 4.124 1.00 1.00 C ATOM 293 CG2 VAL A 19 5.454 2.248 4.875 1.00 1.00 C ATOM 0 H VAL A 19 6.824 4.699 2.022 1.00 1.00 H new ATOM 0 HA VAL A 19 6.278 1.822 2.658 1.00 1.00 H new ATOM 0 HB VAL A 19 6.768 3.844 4.121 1.00 1.00 H new ATOM 0 HG11 VAL A 19 4.744 4.786 5.180 1.00 1.00 H new ATOM 0 HG12 VAL A 19 5.064 5.387 3.535 1.00 1.00 H new ATOM 0 HG13 VAL A 19 3.789 4.175 3.808 1.00 1.00 H new ATOM 0 HG21 VAL A 19 5.319 2.647 5.880 1.00 1.00 H new ATOM 0 HG22 VAL A 19 4.533 1.764 4.550 1.00 1.00 H new ATOM 0 HG23 VAL A 19 6.264 1.519 4.880 1.00 1.00 H new ATOM 303 N TYR A 20 5.071 2.278 0.285 1.00 1.00 N ATOM 304 CA TYR A 20 4.021 1.873 -0.641 1.00 1.00 C ATOM 305 C TYR A 20 3.088 0.918 0.113 1.00 1.00 C ATOM 306 O TYR A 20 3.519 -0.039 0.761 1.00 1.00 O ATOM 307 CB TYR A 20 4.573 1.297 -1.971 1.00 1.00 C ATOM 308 CG TYR A 20 5.239 -0.073 -1.968 1.00 1.00 C ATOM 309 CD1 TYR A 20 5.827 -0.573 -0.801 1.00 1.00 C ATOM 310 CD2 TYR A 20 5.201 -0.896 -3.111 1.00 1.00 C ATOM 311 CE1 TYR A 20 6.201 -1.916 -0.710 1.00 1.00 C ATOM 312 CE2 TYR A 20 5.621 -2.240 -3.035 1.00 1.00 C ATOM 313 CZ TYR A 20 6.123 -2.755 -1.828 1.00 1.00 C ATOM 314 OH TYR A 20 6.538 -4.046 -1.732 1.00 1.00 O ATOM 0 H TYR A 20 6.015 2.164 -0.084 1.00 1.00 H new ATOM 0 HA TYR A 20 3.452 2.743 -0.969 1.00 1.00 H new ATOM 0 HB2 TYR A 20 3.746 1.258 -2.680 1.00 1.00 H new ATOM 0 HB3 TYR A 20 5.296 2.012 -2.363 1.00 1.00 H new ATOM 0 HD1 TYR A 20 5.993 0.086 0.038 1.00 1.00 H new ATOM 0 HD2 TYR A 20 4.848 -0.496 -4.050 1.00 1.00 H new ATOM 0 HE1 TYR A 20 6.554 -2.311 0.231 1.00 1.00 H new ATOM 0 HE2 TYR A 20 5.557 -2.875 -3.906 1.00 1.00 H new ATOM 0 HH TYR A 20 6.417 -4.494 -2.595 1.00 1.00 H new ATOM 324 N TYR A 21 1.798 1.223 0.134 1.00 1.00 N ATOM 325 CA TYR A 21 0.864 0.311 0.763 1.00 1.00 C ATOM 326 C TYR A 21 0.787 -0.911 -0.138 1.00 1.00 C ATOM 327 O TYR A 21 1.043 -0.794 -1.334 1.00 1.00 O ATOM 328 CB TYR A 21 -0.498 0.971 0.967 1.00 1.00 C ATOM 329 CG TYR A 21 -0.541 2.203 1.852 1.00 1.00 C ATOM 330 CD1 TYR A 21 0.607 2.791 2.415 1.00 1.00 C ATOM 331 CD2 TYR A 21 -1.795 2.686 2.241 1.00 1.00 C ATOM 332 CE1 TYR A 21 0.512 3.954 3.183 1.00 1.00 C ATOM 333 CE2 TYR A 21 -1.898 3.792 3.102 1.00 1.00 C ATOM 334 CZ TYR A 21 -0.749 4.496 3.496 1.00 1.00 C ATOM 335 OH TYR A 21 -0.873 5.546 4.347 1.00 1.00 O ATOM 0 H TYR A 21 1.387 2.067 -0.264 1.00 1.00 H new ATOM 0 HA TYR A 21 1.197 0.023 1.760 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -0.893 1.243 -0.012 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -1.175 0.228 1.388 1.00 1.00 H new ATOM 0 HD1 TYR A 21 1.573 2.337 2.251 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -2.691 2.205 1.877 1.00 1.00 H new ATOM 0 HE1 TYR A 21 1.409 4.439 3.538 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -2.867 4.102 3.463 1.00 1.00 H new ATOM 0 HH TYR A 21 -1.820 5.782 4.440 1.00 1.00 H new ATOM 345 N PHE A 22 0.421 -2.066 0.401 1.00 1.00 N ATOM 346 CA PHE A 22 0.325 -3.313 -0.342 1.00 1.00 C ATOM 347 C PHE A 22 -0.951 -4.001 0.119 1.00 1.00 C ATOM 348 O PHE A 22 -1.152 -4.169 1.320 1.00 1.00 O ATOM 349 CB PHE A 22 1.604 -4.131 -0.111 1.00 1.00 C ATOM 350 CG PHE A 22 1.520 -5.616 -0.414 1.00 1.00 C ATOM 351 CD1 PHE A 22 0.983 -6.507 0.536 1.00 1.00 C ATOM 352 CD2 PHE A 22 2.031 -6.119 -1.625 1.00 1.00 C ATOM 353 CE1 PHE A 22 0.937 -7.887 0.268 1.00 1.00 C ATOM 354 CE2 PHE A 22 2.012 -7.501 -1.880 1.00 1.00 C ATOM 355 CZ PHE A 22 1.461 -8.386 -0.936 1.00 1.00 C ATOM 0 H PHE A 22 0.178 -2.163 1.387 1.00 1.00 H new ATOM 0 HA PHE A 22 0.258 -3.170 -1.421 1.00 1.00 H new ATOM 0 HB2 PHE A 22 2.399 -3.702 -0.722 1.00 1.00 H new ATOM 0 HB3 PHE A 22 1.903 -4.011 0.930 1.00 1.00 H new ATOM 0 HD1 PHE A 22 0.605 -6.129 1.474 1.00 1.00 H new ATOM 0 HD2 PHE A 22 2.439 -5.441 -2.360 1.00 1.00 H new ATOM 0 HE1 PHE A 22 0.499 -8.563 0.988 1.00 1.00 H new ATOM 0 HE2 PHE A 22 2.421 -7.884 -2.803 1.00 1.00 H new ATOM 0 HZ PHE A 22 1.441 -9.447 -1.136 1.00 1.00 H new ATOM 365 N ASN A 23 -1.844 -4.327 -0.811 1.00 1.00 N ATOM 366 CA ASN A 23 -3.046 -5.103 -0.535 1.00 1.00 C ATOM 367 C ASN A 23 -2.660 -6.552 -0.346 1.00 1.00 C ATOM 368 O ASN A 23 -1.714 -7.014 -0.972 1.00 1.00 O ATOM 369 CB ASN A 23 -3.985 -5.025 -1.725 1.00 1.00 C ATOM 370 CG ASN A 23 -5.360 -5.620 -1.489 1.00 1.00 C ATOM 371 OD1 ASN A 23 -5.532 -6.805 -1.688 1.00 1.00 O ATOM 372 ND2 ASN A 23 -6.355 -4.848 -1.103 1.00 1.00 N ATOM 0 H ASN A 23 -1.751 -4.055 -1.790 1.00 1.00 H new ATOM 0 HA ASN A 23 -3.532 -4.709 0.358 1.00 1.00 H new ATOM 0 HB2 ASN A 23 -4.101 -3.980 -2.011 1.00 1.00 H new ATOM 0 HB3 ASN A 23 -3.523 -5.537 -2.569 1.00 1.00 H new ATOM 0 HD21 ASN A 23 -7.285 -5.244 -0.967 1.00 1.00 H new ATOM 0 HD22 ASN A 23 -6.195 -3.854 -0.940 1.00 1.00 H new ATOM 379 N HIS A 24 -3.424 -7.316 0.412 1.00 1.00 N ATOM 380 CA HIS A 24 -3.094 -8.701 0.696 1.00 1.00 C ATOM 381 C HIS A 24 -4.006 -9.714 0.000 1.00 1.00 C ATOM 382 O HIS A 24 -3.701 -10.908 -0.014 1.00 1.00 O ATOM 383 CB HIS A 24 -3.072 -8.882 2.216 1.00 1.00 C ATOM 384 CG HIS A 24 -4.374 -8.596 2.929 1.00 1.00 C ATOM 385 ND1 HIS A 24 -4.596 -7.588 3.834 1.00 1.00 N ATOM 386 CD2 HIS A 24 -5.572 -9.229 2.738 1.00 1.00 C ATOM 387 CE1 HIS A 24 -5.910 -7.575 4.102 1.00 1.00 C ATOM 388 NE2 HIS A 24 -6.544 -8.592 3.506 1.00 1.00 N ATOM 0 H HIS A 24 -4.289 -6.996 0.848 1.00 1.00 H new ATOM 0 HA HIS A 24 -2.109 -8.913 0.279 1.00 1.00 H new ATOM 0 HB2 HIS A 24 -2.776 -9.907 2.437 1.00 1.00 H new ATOM 0 HB3 HIS A 24 -2.302 -8.231 2.630 1.00 1.00 H new ATOM 0 HD1 HIS A 24 -3.892 -6.965 4.229 1.00 1.00 H new ATOM 0 HD2 HIS A 24 -5.737 -10.082 2.097 1.00 1.00 H new ATOM 0 HE1 HIS A 24 -6.396 -6.836 4.722 1.00 1.00 H new ATOM 396 N ILE A 25 -5.097 -9.253 -0.597 1.00 1.00 N ATOM 397 CA ILE A 25 -6.028 -10.000 -1.422 1.00 1.00 C ATOM 398 C ILE A 25 -5.432 -10.077 -2.830 1.00 1.00 C ATOM 399 O ILE A 25 -5.241 -11.172 -3.364 1.00 1.00 O ATOM 400 CB ILE A 25 -7.436 -9.344 -1.361 1.00 1.00 C ATOM 401 CG1 ILE A 25 -7.905 -9.109 0.102 1.00 1.00 C ATOM 402 CG2 ILE A 25 -8.446 -10.222 -2.102 1.00 1.00 C ATOM 403 CD1 ILE A 25 -7.570 -7.713 0.616 1.00 1.00 C ATOM 0 H ILE A 25 -5.372 -8.275 -0.509 1.00 1.00 H new ATOM 0 HA ILE A 25 -6.172 -11.019 -1.063 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.371 -8.369 -1.843 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -8.982 -9.264 0.162 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -7.440 -9.851 0.751 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.432 -9.759 -2.057 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.141 -10.327 -3.143 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -8.485 -11.206 -1.634 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -7.922 -7.609 1.642 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -6.491 -7.563 0.586 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -8.057 -6.967 -0.012 1.00 1.00 H new ATOM 415 N THR A 26 -5.102 -8.933 -3.425 1.00 1.00 N ATOM 416 CA THR A 26 -4.706 -8.790 -4.820 1.00 1.00 C ATOM 417 C THR A 26 -3.202 -8.604 -4.998 1.00 1.00 C ATOM 418 O THR A 26 -2.657 -8.764 -6.089 1.00 1.00 O ATOM 419 CB THR A 26 -5.458 -7.598 -5.407 1.00 1.00 C ATOM 420 OG1 THR A 26 -5.121 -6.448 -4.659 1.00 1.00 O ATOM 421 CG2 THR A 26 -6.969 -7.826 -5.349 1.00 1.00 C ATOM 0 H THR A 26 -5.104 -8.044 -2.925 1.00 1.00 H new ATOM 0 HA THR A 26 -4.960 -9.712 -5.343 1.00 1.00 H new ATOM 0 HB THR A 26 -5.176 -7.471 -6.452 1.00 1.00 H new ATOM 0 HG1 THR A 26 -5.594 -5.671 -5.023 1.00 1.00 H new ATOM 0 HG21 THR A 26 -7.484 -6.964 -5.773 1.00 1.00 H new ATOM 0 HG22 THR A 26 -7.225 -8.718 -5.921 1.00 1.00 H new ATOM 0 HG23 THR A 26 -7.277 -7.959 -4.312 1.00 1.00 H new ATOM 429 N ASN A 27 -2.521 -8.285 -3.903 1.00 1.00 N ATOM 430 CA ASN A 27 -1.067 -8.167 -3.791 1.00 1.00 C ATOM 431 C ASN A 27 -0.453 -7.119 -4.719 1.00 1.00 C ATOM 432 O ASN A 27 0.744 -7.198 -5.016 1.00 1.00 O ATOM 433 CB ASN A 27 -0.391 -9.534 -3.897 1.00 1.00 C ATOM 434 CG ASN A 27 -1.110 -10.667 -3.195 1.00 1.00 C ATOM 435 OD1 ASN A 27 -1.252 -11.741 -3.770 1.00 1.00 O ATOM 436 ND2 ASN A 27 -1.539 -10.468 -1.964 1.00 1.00 N ATOM 0 H ASN A 27 -2.992 -8.091 -3.020 1.00 1.00 H new ATOM 0 HA ASN A 27 -0.868 -7.783 -2.791 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -0.288 -9.789 -4.952 1.00 1.00 H new ATOM 0 HB3 ASN A 27 0.616 -9.456 -3.488 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -2.006 -11.221 -1.459 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -1.403 -9.561 -1.517 1.00 1.00 H new ATOM 443 N ALA A 28 -1.254 -6.152 -5.176 1.00 1.00 N ATOM 444 CA ALA A 28 -0.779 -4.900 -5.750 1.00 1.00 C ATOM 445 C ALA A 28 -0.285 -3.969 -4.633 1.00 1.00 C ATOM 446 O ALA A 28 -0.523 -4.234 -3.452 1.00 1.00 O ATOM 447 CB ALA A 28 -1.924 -4.240 -6.517 1.00 1.00 C ATOM 0 H ALA A 28 -2.271 -6.224 -5.155 1.00 1.00 H new ATOM 0 HA ALA A 28 0.049 -5.097 -6.431 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -1.578 -3.302 -6.951 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -2.260 -4.905 -7.312 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -2.752 -4.042 -5.836 1.00 1.00 H new ATOM 453 N SER A 29 0.356 -2.857 -4.999 1.00 1.00 N ATOM 454 CA SER A 29 0.836 -1.842 -4.062 1.00 1.00 C ATOM 455 C SER A 29 0.632 -0.419 -4.615 1.00 1.00 C ATOM 456 O SER A 29 0.261 -0.294 -5.784 1.00 1.00 O ATOM 457 CB SER A 29 2.290 -2.140 -3.670 1.00 1.00 C ATOM 458 OG SER A 29 3.021 -2.682 -4.757 1.00 1.00 O ATOM 0 H SER A 29 0.559 -2.634 -5.973 1.00 1.00 H new ATOM 0 HA SER A 29 0.240 -1.886 -3.150 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.771 -1.223 -3.328 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.306 -2.840 -2.834 1.00 1.00 H new ATOM 0 HG SER A 29 3.977 -2.509 -4.627 1.00 1.00 H new ATOM 464 N GLN A 30 0.785 0.648 -3.805 1.00 1.00 N ATOM 465 CA GLN A 30 0.341 2.005 -4.180 1.00 1.00 C ATOM 466 C GLN A 30 0.764 3.095 -3.177 1.00 1.00 C ATOM 467 O GLN A 30 1.318 2.792 -2.123 1.00 1.00 O ATOM 468 CB GLN A 30 -1.199 2.017 -4.324 1.00 1.00 C ATOM 469 CG GLN A 30 -1.676 2.317 -5.750 1.00 1.00 C ATOM 470 CD GLN A 30 -1.739 3.820 -5.972 1.00 1.00 C ATOM 471 OE1 GLN A 30 -0.712 4.475 -6.147 1.00 1.00 O ATOM 472 NE2 GLN A 30 -2.911 4.419 -5.873 1.00 1.00 N ATOM 0 H GLN A 30 1.215 0.595 -2.882 1.00 1.00 H new ATOM 0 HA GLN A 30 0.830 2.242 -5.125 1.00 1.00 H new ATOM 0 HB2 GLN A 30 -1.593 1.049 -4.013 1.00 1.00 H new ATOM 0 HB3 GLN A 30 -1.614 2.763 -3.646 1.00 1.00 H new ATOM 0 HG2 GLN A 30 -0.998 1.863 -6.472 1.00 1.00 H new ATOM 0 HG3 GLN A 30 -2.659 1.875 -5.914 1.00 1.00 H new ATOM 0 HE21 GLN A 30 -3.756 3.866 -5.728 1.00 1.00 H new ATOM 0 HE22 GLN A 30 -2.972 5.435 -5.942 1.00 1.00 H new ATOM 481 N TRP A 31 0.465 4.365 -3.489 1.00 1.00 N ATOM 482 CA TRP A 31 0.917 5.556 -2.766 1.00 1.00 C ATOM 483 C TRP A 31 -0.153 6.251 -1.914 1.00 1.00 C ATOM 484 O TRP A 31 0.194 7.061 -1.053 1.00 1.00 O ATOM 485 CB TRP A 31 1.384 6.582 -3.804 1.00 1.00 C ATOM 486 CG TRP A 31 2.339 6.116 -4.860 1.00 1.00 C ATOM 487 CD1 TRP A 31 2.194 6.361 -6.178 1.00 1.00 C ATOM 488 CD2 TRP A 31 3.593 5.379 -4.730 1.00 1.00 C ATOM 489 NE1 TRP A 31 3.268 5.850 -6.871 1.00 1.00 N ATOM 490 CE2 TRP A 31 4.168 5.246 -6.028 1.00 1.00 C ATOM 491 CE3 TRP A 31 4.320 4.829 -3.655 1.00 1.00 C ATOM 492 CZ2 TRP A 31 5.404 4.621 -6.244 1.00 1.00 C ATOM 493 CZ3 TRP A 31 5.561 4.201 -3.869 1.00 1.00 C ATOM 494 CH2 TRP A 31 6.107 4.095 -5.156 1.00 1.00 C ATOM 0 H TRP A 31 -0.125 4.597 -4.288 1.00 1.00 H new ATOM 0 HA TRP A 31 1.694 5.213 -2.083 1.00 1.00 H new ATOM 0 HB2 TRP A 31 0.501 6.981 -4.303 1.00 1.00 H new ATOM 0 HB3 TRP A 31 1.851 7.410 -3.271 1.00 1.00 H new ATOM 0 HD1 TRP A 31 1.359 6.881 -6.624 1.00 1.00 H new ATOM 0 HE1 TRP A 31 3.381 5.912 -7.883 1.00 1.00 H new ATOM 0 HE3 TRP A 31 3.919 4.890 -2.654 1.00 1.00 H new ATOM 0 HZ2 TRP A 31 5.810 4.546 -7.242 1.00 1.00 H new ATOM 0 HZ3 TRP A 31 6.102 3.794 -3.028 1.00 1.00 H new ATOM 0 HH2 TRP A 31 7.061 3.612 -5.305 1.00 1.00 H new ATOM 505 N GLU A 32 -1.435 6.012 -2.187 1.00 1.00 N ATOM 506 CA GLU A 32 -2.571 6.672 -1.527 1.00 1.00 C ATOM 507 C GLU A 32 -2.785 6.116 -0.108 1.00 1.00 C ATOM 508 O GLU A 32 -1.958 5.342 0.375 1.00 1.00 O ATOM 509 CB GLU A 32 -3.806 6.538 -2.438 1.00 1.00 C ATOM 510 CG GLU A 32 -3.962 7.731 -3.392 1.00 1.00 C ATOM 511 CD GLU A 32 -2.814 7.834 -4.397 1.00 1.00 C ATOM 512 OE1 GLU A 32 -2.903 7.197 -5.474 1.00 1.00 O ATOM 513 OE2 GLU A 32 -1.822 8.548 -4.135 1.00 1.00 O ATOM 0 H GLU A 32 -1.725 5.335 -2.893 1.00 1.00 H new ATOM 0 HA GLU A 32 -2.372 7.734 -1.387 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -3.727 5.619 -3.019 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.701 6.450 -1.822 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -4.905 7.640 -3.931 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -4.015 8.652 -2.811 1.00 1.00 H new ATOM 520 N ARG A 33 -3.899 6.469 0.559 1.00 1.00 N ATOM 521 CA ARG A 33 -4.322 5.805 1.804 1.00 1.00 C ATOM 522 C ARG A 33 -5.767 5.291 1.785 1.00 1.00 C ATOM 523 O ARG A 33 -6.661 6.087 1.508 1.00 1.00 O ATOM 524 CB ARG A 33 -3.973 6.667 3.030 1.00 1.00 C ATOM 525 CG ARG A 33 -4.812 7.924 3.315 1.00 1.00 C ATOM 526 CD ARG A 33 -6.125 7.651 4.074 1.00 1.00 C ATOM 527 NE ARG A 33 -6.432 8.708 5.050 1.00 1.00 N ATOM 528 CZ ARG A 33 -7.080 9.859 4.829 1.00 1.00 C ATOM 529 NH1 ARG A 33 -7.553 10.158 3.623 1.00 1.00 N ATOM 530 NH2 ARG A 33 -7.261 10.714 5.825 1.00 1.00 N ATOM 0 H ARG A 33 -4.525 7.214 0.254 1.00 1.00 H new ATOM 0 HA ARG A 33 -3.740 4.887 1.887 1.00 1.00 H new ATOM 0 HB2 ARG A 33 -4.029 6.027 3.910 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -2.934 6.980 2.928 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -4.210 8.625 3.894 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -5.047 8.412 2.369 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -6.945 7.568 3.360 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -6.053 6.693 4.589 1.00 1.00 H new ATOM 0 HE ARG A 33 -6.115 8.545 6.006 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -7.425 9.506 2.849 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -8.044 11.039 3.472 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -6.907 10.495 6.756 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -7.754 11.592 5.660 1.00 1.00 H new ATOM 544 N PRO A 34 -6.049 3.997 2.051 1.00 1.00 N ATOM 545 CA PRO A 34 -7.418 3.521 2.148 1.00 1.00 C ATOM 546 C PRO A 34 -8.022 3.848 3.502 1.00 1.00 C ATOM 547 O PRO A 34 -7.308 4.014 4.496 1.00 1.00 O ATOM 548 CB PRO A 34 -7.346 2.014 1.957 1.00 1.00 C ATOM 549 CG PRO A 34 -5.937 1.591 2.315 1.00 1.00 C ATOM 550 CD PRO A 34 -5.129 2.875 2.190 1.00 1.00 C ATOM 0 HA PRO A 34 -8.051 4.000 1.400 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -8.074 1.509 2.592 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -7.580 1.744 0.927 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -5.886 1.183 3.325 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.568 0.819 1.640 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.498 3.011 3.068 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -4.466 2.821 1.326 1.00 1.00 H new ATOM 558 N SER A 35 -9.352 3.869 3.544 1.00 1.00 N ATOM 559 CA SER A 35 -10.133 3.724 4.755 1.00 1.00 C ATOM 560 C SER A 35 -11.541 3.336 4.293 1.00 1.00 C ATOM 561 O SER A 35 -12.409 4.201 4.138 1.00 1.00 O ATOM 562 CB SER A 35 -10.073 5.014 5.595 1.00 1.00 C ATOM 563 OG SER A 35 -10.516 4.788 6.918 1.00 1.00 O ATOM 0 H SER A 35 -9.926 3.991 2.710 1.00 1.00 H new ATOM 0 HA SER A 35 -9.749 2.953 5.423 1.00 1.00 H new ATOM 0 HB2 SER A 35 -9.051 5.392 5.611 1.00 1.00 H new ATOM 0 HB3 SER A 35 -10.690 5.783 5.129 1.00 1.00 H new ATOM 0 HG SER A 35 -10.465 5.624 7.427 1.00 1.00 H new ATOM 569 N GLY A 36 -11.747 2.047 4.007 1.00 1.00 N ATOM 570 CA GLY A 36 -13.013 1.544 3.499 1.00 1.00 C ATOM 571 C GLY A 36 -13.218 1.941 2.048 1.00 1.00 C ATOM 572 O GLY A 36 -14.320 1.684 1.524 1.00 1.00 O ATOM 573 OXT GLY A 36 -12.305 2.508 1.415 1.00 1.00 O ATOM 0 H GLY A 36 -11.035 1.326 4.124 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -13.038 0.458 3.589 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -13.831 1.933 4.105 1.00 1.00 H new TER 577 GLY A 36