USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 268 hydrogens (11 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 NoAdj-H: A 13 ASNHD21 : A 13 ASN ND2 : A 101 4N2 C1 :(H bumps) USER MOD Set 1.1: A 20 ASN : amide:sc= 1.47 K(o=1.5,f=-7.8!) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.08) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -125:sc= 0 (180deg=-0.021) USER MOD Single : A 15 THR OG1 : rot 86:sc= 0.587 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 32 SER OG : rot -23:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.494 5.689 -23.493 1.00 0.00 N ATOM 2 CA LYS A 1 -15.576 5.699 -22.320 1.00 0.00 C ATOM 3 C LYS A 1 -14.460 4.654 -22.445 1.00 0.00 C ATOM 4 O LYS A 1 -13.363 5.000 -22.888 1.00 0.00 O ATOM 5 CB LYS A 1 -16.309 5.677 -20.951 1.00 0.00 C ATOM 6 CG LYS A 1 -17.482 4.680 -20.817 1.00 0.00 C ATOM 7 CD LYS A 1 -18.052 4.608 -19.391 1.00 0.00 C ATOM 8 CE LYS A 1 -17.111 3.870 -18.426 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.721 3.727 -17.082 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.231 6.411 -23.363 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.955 5.896 -24.358 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.938 4.753 -23.578 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.078 6.668 -22.337 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.578 5.451 -20.175 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.687 6.679 -20.750 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.276 4.968 -21.505 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.144 3.688 -21.117 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.230 5.618 -19.021 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.017 4.102 -19.413 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.875 2.884 -18.827 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.170 4.414 -18.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.099 3.152 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.845 4.667 -16.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.647 3.261 -17.169 1.00 0.00 H new ATOM 25 N LEU A 2 -14.709 3.393 -22.077 1.00 0.00 N ATOM 26 CA LEU A 2 -13.750 2.274 -22.054 1.00 0.00 C ATOM 27 C LEU A 2 -13.998 1.268 -23.203 1.00 0.00 C ATOM 28 O LEU A 2 -15.099 1.235 -23.765 1.00 0.00 O ATOM 29 CB LEU A 2 -13.846 1.598 -20.667 1.00 0.00 C ATOM 30 CG LEU A 2 -12.781 2.022 -19.637 1.00 0.00 C ATOM 31 CD1 LEU A 2 -12.459 3.512 -19.577 1.00 0.00 C ATOM 32 CD2 LEU A 2 -13.246 1.606 -18.244 1.00 0.00 C ATOM 0 H LEU A 2 -15.638 3.105 -21.769 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.741 2.653 -22.215 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -14.831 1.807 -20.250 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.781 0.519 -20.805 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.869 1.524 -19.966 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.698 3.689 -18.817 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.088 3.843 -20.547 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.361 4.069 -19.324 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.499 1.902 -17.508 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.193 2.094 -18.016 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.378 0.525 -18.212 1.00 0.00 H new ATOM 44 N PRO A 3 -12.993 0.439 -23.551 1.00 0.00 N ATOM 45 CA PRO A 3 -13.120 -0.621 -24.555 1.00 0.00 C ATOM 46 C PRO A 3 -13.998 -1.797 -24.061 1.00 0.00 C ATOM 47 O PRO A 3 -14.299 -1.880 -22.863 1.00 0.00 O ATOM 48 CB PRO A 3 -11.678 -1.025 -24.891 1.00 0.00 C ATOM 49 CG PRO A 3 -10.893 -0.712 -23.620 1.00 0.00 C ATOM 50 CD PRO A 3 -11.657 0.439 -22.969 1.00 0.00 C ATOM 0 HA PRO A 3 -13.643 -0.280 -25.449 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.611 -2.082 -25.150 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.296 -0.463 -25.743 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.844 -1.579 -22.961 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.866 -0.427 -23.848 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.706 0.308 -21.888 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.155 1.389 -23.153 1.00 0.00 H new ATOM 58 N PRO A 4 -14.429 -2.722 -24.947 1.00 0.00 N ATOM 59 CA PRO A 4 -15.430 -3.749 -24.638 1.00 0.00 C ATOM 60 C PRO A 4 -15.163 -4.578 -23.370 1.00 0.00 C ATOM 61 O PRO A 4 -14.116 -5.211 -23.214 1.00 0.00 O ATOM 62 CB PRO A 4 -15.519 -4.628 -25.889 1.00 0.00 C ATOM 63 CG PRO A 4 -15.225 -3.627 -27.003 1.00 0.00 C ATOM 64 CD PRO A 4 -14.145 -2.744 -26.379 1.00 0.00 C ATOM 0 HA PRO A 4 -16.374 -3.260 -24.398 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -14.793 -5.441 -25.869 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.503 -5.083 -25.999 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.872 -4.120 -27.909 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.110 -3.053 -27.277 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.151 -3.145 -26.574 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.171 -1.738 -26.799 1.00 0.00 H new ATOM 72 N GLY A 5 -16.142 -4.575 -22.462 1.00 0.00 N ATOM 73 CA GLY A 5 -16.131 -5.303 -21.186 1.00 0.00 C ATOM 74 C GLY A 5 -15.318 -4.662 -20.050 1.00 0.00 C ATOM 75 O GLY A 5 -15.419 -5.134 -18.918 1.00 0.00 O ATOM 0 H GLY A 5 -17.002 -4.043 -22.600 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.161 -5.419 -20.848 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.740 -6.304 -21.365 1.00 0.00 H new ATOM 79 N TRP A 6 -14.541 -3.600 -20.297 1.00 0.00 N ATOM 80 CA TRP A 6 -13.751 -2.905 -19.267 1.00 0.00 C ATOM 81 C TRP A 6 -14.579 -1.882 -18.470 1.00 0.00 C ATOM 82 O TRP A 6 -15.428 -1.175 -19.018 1.00 0.00 O ATOM 83 CB TRP A 6 -12.511 -2.252 -19.892 1.00 0.00 C ATOM 84 CG TRP A 6 -11.459 -3.196 -20.402 1.00 0.00 C ATOM 85 CD1 TRP A 6 -11.434 -3.737 -21.642 1.00 0.00 C ATOM 86 CD2 TRP A 6 -10.282 -3.734 -19.715 1.00 0.00 C ATOM 87 NE1 TRP A 6 -10.316 -4.533 -21.786 1.00 0.00 N ATOM 88 CE2 TRP A 6 -9.574 -4.577 -20.626 1.00 0.00 C ATOM 89 CE3 TRP A 6 -9.726 -3.591 -18.423 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -8.393 -5.248 -20.279 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -8.532 -4.252 -18.067 1.00 0.00 C ATOM 92 CH2 TRP A 6 -7.869 -5.082 -18.987 1.00 0.00 C ATOM 0 H TRP A 6 -14.441 -3.193 -21.227 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.426 -3.659 -18.550 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -12.835 -1.619 -20.718 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -12.055 -1.598 -19.149 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -12.179 -3.570 -22.406 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -10.070 -5.027 -22.644 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -10.224 -2.965 -17.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.893 -5.883 -20.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -8.123 -4.119 -17.076 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -6.960 -5.590 -18.701 1.00 0.00 H new ATOM 103 N GLU A 7 -14.289 -1.766 -17.173 1.00 0.00 N ATOM 104 CA GLU A 7 -14.850 -0.781 -16.239 1.00 0.00 C ATOM 105 C GLU A 7 -13.798 -0.350 -15.189 1.00 0.00 C ATOM 106 O GLU A 7 -12.879 -1.114 -14.868 1.00 0.00 O ATOM 107 CB GLU A 7 -16.117 -1.381 -15.595 1.00 0.00 C ATOM 108 CG GLU A 7 -16.928 -0.455 -14.674 1.00 0.00 C ATOM 109 CD GLU A 7 -17.345 0.864 -15.351 1.00 0.00 C ATOM 110 OE1 GLU A 7 -16.494 1.774 -15.508 1.00 0.00 O ATOM 111 OE2 GLU A 7 -18.530 1.019 -15.734 1.00 0.00 O ATOM 0 H GLU A 7 -13.621 -2.389 -16.719 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.129 0.127 -16.774 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.773 -1.727 -16.394 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.823 -2.260 -15.021 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.821 -0.981 -14.337 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.337 -0.229 -13.786 1.00 0.00 H new ATOM 118 N LYS A 8 -13.917 0.863 -14.633 1.00 0.00 N ATOM 119 CA LYS A 8 -13.088 1.344 -13.515 1.00 0.00 C ATOM 120 C LYS A 8 -13.473 0.644 -12.210 1.00 0.00 C ATOM 121 O LYS A 8 -14.656 0.469 -11.906 1.00 0.00 O ATOM 122 CB LYS A 8 -13.196 2.869 -13.360 1.00 0.00 C ATOM 123 CG LYS A 8 -12.292 3.555 -14.388 1.00 0.00 C ATOM 124 CD LYS A 8 -12.462 5.079 -14.442 1.00 0.00 C ATOM 125 CE LYS A 8 -11.919 5.749 -13.174 1.00 0.00 C ATOM 126 NZ LYS A 8 -12.040 7.227 -13.243 1.00 0.00 N ATOM 0 H LYS A 8 -14.601 1.549 -14.951 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.050 1.100 -13.743 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.229 3.187 -13.500 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.906 3.164 -12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.253 3.323 -14.157 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.499 3.140 -15.375 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.942 5.474 -15.315 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.517 5.325 -14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.463 5.379 -12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.873 5.475 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.663 7.647 -12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.501 7.582 -14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.041 7.489 -13.350 1.00 0.00 H new ATOM 140 N ARG A 9 -12.462 0.281 -11.422 1.00 0.00 N ATOM 141 CA ARG A 9 -12.595 -0.439 -10.136 1.00 0.00 C ATOM 142 C ARG A 9 -11.565 0.047 -9.106 1.00 0.00 C ATOM 143 O ARG A 9 -10.490 0.506 -9.479 1.00 0.00 O ATOM 144 CB ARG A 9 -12.479 -1.945 -10.444 1.00 0.00 C ATOM 145 CG ARG A 9 -12.887 -2.858 -9.280 1.00 0.00 C ATOM 146 CD ARG A 9 -13.049 -4.302 -9.777 1.00 0.00 C ATOM 147 NE ARG A 9 -13.346 -5.221 -8.664 1.00 0.00 N ATOM 148 CZ ARG A 9 -13.511 -6.530 -8.745 1.00 0.00 C ATOM 149 NH1 ARG A 9 -13.448 -7.175 -9.875 1.00 0.00 N ATOM 150 NH2 ARG A 9 -13.749 -7.228 -7.672 1.00 0.00 N ATOM 0 H ARG A 9 -11.491 0.482 -11.661 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.562 -0.238 -9.675 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.101 -2.177 -11.308 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.450 -2.169 -10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.133 -2.818 -8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.822 -2.508 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.852 -4.348 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.136 -4.620 -10.280 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.433 -4.805 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.265 -6.669 -10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.581 -8.186 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.809 -6.765 -6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.876 -8.238 -7.738 1.00 0.00 H new ATOM 164 N MET A 10 -11.899 -0.005 -7.815 1.00 0.00 N ATOM 165 CA MET A 10 -11.009 0.384 -6.705 1.00 0.00 C ATOM 166 C MET A 10 -10.435 -0.810 -5.918 1.00 0.00 C ATOM 167 O MET A 10 -11.159 -1.763 -5.619 1.00 0.00 O ATOM 168 CB MET A 10 -11.730 1.402 -5.807 1.00 0.00 C ATOM 169 CG MET A 10 -10.751 2.214 -4.951 1.00 0.00 C ATOM 170 SD MET A 10 -11.536 3.414 -3.840 1.00 0.00 S ATOM 171 CE MET A 10 -12.199 2.292 -2.576 1.00 0.00 C ATOM 0 H MET A 10 -12.815 -0.325 -7.499 1.00 0.00 H new ATOM 0 HA MET A 10 -10.127 0.858 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.316 2.080 -6.427 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.431 0.878 -5.157 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.152 1.525 -4.356 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.065 2.745 -5.611 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.270 2.462 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.025 1.259 -2.879 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.701 2.480 -1.625 1.00 0.00 H new ATOM 181 N PHE A 11 -9.155 -0.747 -5.538 1.00 0.00 N ATOM 182 CA PHE A 11 -8.505 -1.679 -4.606 1.00 0.00 C ATOM 183 C PHE A 11 -8.868 -1.352 -3.144 1.00 0.00 C ATOM 184 O PHE A 11 -9.243 -0.224 -2.815 1.00 0.00 O ATOM 185 CB PHE A 11 -6.975 -1.622 -4.788 1.00 0.00 C ATOM 186 CG PHE A 11 -6.422 -2.223 -6.069 1.00 0.00 C ATOM 187 CD1 PHE A 11 -5.685 -1.430 -6.970 1.00 0.00 C ATOM 188 CD2 PHE A 11 -6.572 -3.601 -6.321 1.00 0.00 C ATOM 189 CE1 PHE A 11 -5.106 -2.008 -8.115 1.00 0.00 C ATOM 190 CE2 PHE A 11 -6.007 -4.176 -7.475 1.00 0.00 C ATOM 191 CZ PHE A 11 -5.273 -3.380 -8.371 1.00 0.00 C ATOM 0 H PHE A 11 -8.522 -0.024 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.863 -2.684 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.664 -0.578 -4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.512 -2.133 -3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.564 -0.374 -6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.122 -4.218 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.533 -1.397 -8.797 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.138 -5.230 -7.672 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.838 -3.822 -9.255 1.00 0.00 H new ATOM 201 N ALA A 12 -8.681 -2.314 -2.233 1.00 0.00 N ATOM 202 CA ALA A 12 -8.959 -2.154 -0.797 1.00 0.00 C ATOM 203 C ALA A 12 -8.102 -1.070 -0.095 1.00 0.00 C ATOM 204 O ALA A 12 -8.477 -0.579 0.973 1.00 0.00 O ATOM 205 CB ALA A 12 -8.778 -3.523 -0.130 1.00 0.00 C ATOM 0 H ALA A 12 -8.327 -3.240 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.983 -1.794 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.978 -3.437 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.472 -4.238 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.755 -3.869 -0.281 1.00 0.00 H new ATOM 211 N ASN A 13 -6.978 -0.664 -0.702 1.00 0.00 N ATOM 212 CA ASN A 13 -6.112 0.432 -0.244 1.00 0.00 C ATOM 213 C ASN A 13 -6.547 1.836 -0.738 1.00 0.00 C ATOM 214 O ASN A 13 -5.893 2.830 -0.412 1.00 0.00 O ATOM 215 CB ASN A 13 -4.651 0.102 -0.617 1.00 0.00 C ATOM 216 CG ASN A 13 -4.397 -0.034 -2.114 1.00 0.00 C ATOM 217 OD1 ASN A 13 -5.087 0.568 -2.933 1.00 0.00 O ATOM 218 ND2 ASN A 13 -3.417 -0.844 -2.475 1.00 0.00 N ATOM 0 H ASN A 13 -6.635 -1.105 -1.555 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.208 0.499 0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.003 0.883 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.365 -0.829 -0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.866 -1.326 -1.765 1.00 0.00 H new ATOM 224 N GLY A 14 -7.628 1.935 -1.523 1.00 0.00 N ATOM 225 CA GLY A 14 -8.146 3.195 -2.075 1.00 0.00 C ATOM 226 C GLY A 14 -7.559 3.613 -3.434 1.00 0.00 C ATOM 227 O GLY A 14 -7.794 4.742 -3.869 1.00 0.00 O ATOM 0 H GLY A 14 -8.180 1.123 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.228 3.109 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.956 3.992 -1.356 1.00 0.00 H new ATOM 231 N THR A 15 -6.816 2.734 -4.118 1.00 0.00 N ATOM 232 CA THR A 15 -6.194 3.016 -5.431 1.00 0.00 C ATOM 233 C THR A 15 -7.092 2.529 -6.572 1.00 0.00 C ATOM 234 O THR A 15 -7.643 1.432 -6.498 1.00 0.00 O ATOM 235 CB THR A 15 -4.802 2.366 -5.541 1.00 0.00 C ATOM 236 OG1 THR A 15 -3.994 2.742 -4.449 1.00 0.00 O ATOM 237 CG2 THR A 15 -4.053 2.749 -6.818 1.00 0.00 C ATOM 0 H THR A 15 -6.624 1.793 -3.776 1.00 0.00 H new ATOM 0 HA THR A 15 -6.075 4.096 -5.513 1.00 0.00 H new ATOM 0 HB THR A 15 -4.984 1.291 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.154 2.132 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.081 2.257 -6.831 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.631 2.434 -7.687 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.913 3.830 -6.847 1.00 0.00 H new ATOM 245 N VAL A 16 -7.245 3.317 -7.639 1.00 0.00 N ATOM 246 CA VAL A 16 -8.129 3.007 -8.777 1.00 0.00 C ATOM 247 C VAL A 16 -7.361 2.320 -9.915 1.00 0.00 C ATOM 248 O VAL A 16 -6.224 2.681 -10.226 1.00 0.00 O ATOM 249 CB VAL A 16 -8.872 4.278 -9.238 1.00 0.00 C ATOM 250 CG1 VAL A 16 -9.703 4.063 -10.507 1.00 0.00 C ATOM 251 CG2 VAL A 16 -9.827 4.767 -8.139 1.00 0.00 C ATOM 0 H VAL A 16 -6.752 4.204 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.883 2.291 -8.450 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.095 5.013 -9.450 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.200 4.994 -10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.049 3.750 -11.321 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.451 3.292 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.344 5.664 -8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.558 3.989 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.258 4.996 -7.238 1.00 0.00 H new ATOM 261 N TYR A 17 -8.002 1.329 -10.534 1.00 0.00 N ATOM 262 CA TYR A 17 -7.513 0.519 -11.651 1.00 0.00 C ATOM 263 C TYR A 17 -8.656 0.186 -12.633 1.00 0.00 C ATOM 264 O TYR A 17 -9.791 0.646 -12.474 1.00 0.00 O ATOM 265 CB TYR A 17 -6.837 -0.745 -11.089 1.00 0.00 C ATOM 266 CG TYR A 17 -7.751 -1.819 -10.512 1.00 0.00 C ATOM 267 CD1 TYR A 17 -8.263 -1.691 -9.206 1.00 0.00 C ATOM 268 CD2 TYR A 17 -8.024 -2.987 -11.256 1.00 0.00 C ATOM 269 CE1 TYR A 17 -9.018 -2.735 -8.636 1.00 0.00 C ATOM 270 CE2 TYR A 17 -8.788 -4.026 -10.692 1.00 0.00 C ATOM 271 CZ TYR A 17 -9.265 -3.912 -9.370 1.00 0.00 C ATOM 272 OH TYR A 17 -9.944 -4.938 -8.791 1.00 0.00 O ATOM 0 H TYR A 17 -8.941 1.051 -10.249 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.774 1.081 -12.223 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.245 -1.196 -11.886 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.140 -0.438 -10.309 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.076 -0.790 -8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.645 -3.084 -12.263 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.408 -2.633 -7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.009 -4.910 -11.272 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.031 -5.675 -9.431 1.00 0.00 H new ATOM 282 N TYR A 18 -8.358 -0.606 -13.662 1.00 0.00 N ATOM 283 CA TYR A 18 -9.287 -1.012 -14.719 1.00 0.00 C ATOM 284 C TYR A 18 -9.439 -2.538 -14.725 1.00 0.00 C ATOM 285 O TYR A 18 -8.447 -3.268 -14.673 1.00 0.00 O ATOM 286 CB TYR A 18 -8.802 -0.451 -16.067 1.00 0.00 C ATOM 287 CG TYR A 18 -8.688 1.066 -16.072 1.00 0.00 C ATOM 288 CD1 TYR A 18 -9.754 1.852 -16.546 1.00 0.00 C ATOM 289 CD2 TYR A 18 -7.547 1.693 -15.534 1.00 0.00 C ATOM 290 CE1 TYR A 18 -9.707 3.253 -16.425 1.00 0.00 C ATOM 291 CE2 TYR A 18 -7.495 3.095 -15.409 1.00 0.00 C ATOM 292 CZ TYR A 18 -8.586 3.879 -15.843 1.00 0.00 C ATOM 293 OH TYR A 18 -8.568 5.231 -15.697 1.00 0.00 O ATOM 0 H TYR A 18 -7.425 -0.999 -13.788 1.00 0.00 H new ATOM 0 HA TYR A 18 -10.279 -0.600 -14.534 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.831 -0.884 -16.306 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -9.491 -0.761 -16.853 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -10.610 1.379 -17.004 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.706 1.095 -15.215 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.533 3.851 -16.780 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.623 3.569 -14.982 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.725 5.504 -15.278 1.00 0.00 H new ATOM 303 N PHE A 19 -10.678 -3.025 -14.782 1.00 0.00 N ATOM 304 CA PHE A 19 -11.034 -4.447 -14.727 1.00 0.00 C ATOM 305 C PHE A 19 -12.038 -4.802 -15.830 1.00 0.00 C ATOM 306 O PHE A 19 -12.972 -4.044 -16.093 1.00 0.00 O ATOM 307 CB PHE A 19 -11.577 -4.777 -13.326 1.00 0.00 C ATOM 308 CG PHE A 19 -12.313 -6.103 -13.206 1.00 0.00 C ATOM 309 CD1 PHE A 19 -11.591 -7.294 -13.006 1.00 0.00 C ATOM 310 CD2 PHE A 19 -13.719 -6.150 -13.296 1.00 0.00 C ATOM 311 CE1 PHE A 19 -12.266 -8.524 -12.898 1.00 0.00 C ATOM 312 CE2 PHE A 19 -14.394 -7.378 -13.178 1.00 0.00 C ATOM 313 CZ PHE A 19 -13.669 -8.567 -12.985 1.00 0.00 C ATOM 0 H PHE A 19 -11.494 -2.419 -14.871 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.146 -5.054 -14.905 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.744 -4.779 -12.623 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.251 -3.978 -13.019 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.514 -7.264 -12.935 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -14.279 -5.241 -13.456 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.706 -9.435 -12.748 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.472 -7.408 -13.236 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.188 -9.511 -12.904 1.00 0.00 H new ATOM 323 N ASN A 20 -11.864 -5.959 -16.466 1.00 0.00 N ATOM 324 CA ASN A 20 -12.764 -6.469 -17.493 1.00 0.00 C ATOM 325 C ASN A 20 -13.723 -7.519 -16.913 1.00 0.00 C ATOM 326 O ASN A 20 -13.292 -8.586 -16.478 1.00 0.00 O ATOM 327 CB ASN A 20 -11.941 -6.992 -18.676 1.00 0.00 C ATOM 328 CG ASN A 20 -12.831 -7.248 -19.879 1.00 0.00 C ATOM 329 OD1 ASN A 20 -13.760 -8.038 -19.833 1.00 0.00 O ATOM 330 ND2 ASN A 20 -12.612 -6.555 -20.970 1.00 0.00 N ATOM 0 H ASN A 20 -11.077 -6.579 -16.276 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.397 -5.663 -17.864 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.169 -6.268 -18.936 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.432 -7.913 -18.392 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.218 -6.676 -21.781 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.835 -5.895 -21.008 1.00 0.00 H new ATOM 337 N HIS A 21 -15.030 -7.244 -16.935 1.00 0.00 N ATOM 338 CA HIS A 21 -16.042 -8.121 -16.326 1.00 0.00 C ATOM 339 C HIS A 21 -16.430 -9.327 -17.204 1.00 0.00 C ATOM 340 O HIS A 21 -17.039 -10.280 -16.712 1.00 0.00 O ATOM 341 CB HIS A 21 -17.247 -7.278 -15.871 1.00 0.00 C ATOM 342 CG HIS A 21 -18.331 -7.081 -16.908 1.00 0.00 C ATOM 343 ND1 HIS A 21 -19.449 -7.904 -17.075 1.00 0.00 N ATOM 344 CD2 HIS A 21 -18.393 -6.072 -17.824 1.00 0.00 C ATOM 345 CE1 HIS A 21 -20.160 -7.368 -18.081 1.00 0.00 C ATOM 346 NE2 HIS A 21 -19.547 -6.267 -18.551 1.00 0.00 N ATOM 0 H HIS A 21 -15.419 -6.409 -17.374 1.00 0.00 H new ATOM 0 HA HIS A 21 -15.598 -8.584 -15.445 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -17.689 -7.751 -14.994 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -16.886 -6.299 -15.557 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -17.676 -5.275 -17.954 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -21.091 -7.765 -18.458 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -19.879 -5.678 -19.314 1.00 0.00 H new ATOM 354 N ILE A 22 -16.033 -9.320 -18.482 1.00 0.00 N ATOM 355 CA ILE A 22 -16.265 -10.403 -19.453 1.00 0.00 C ATOM 356 C ILE A 22 -15.142 -11.454 -19.390 1.00 0.00 C ATOM 357 O ILE A 22 -15.413 -12.655 -19.451 1.00 0.00 O ATOM 358 CB ILE A 22 -16.405 -9.811 -20.880 1.00 0.00 C ATOM 359 CG1 ILE A 22 -17.485 -8.706 -20.983 1.00 0.00 C ATOM 360 CG2 ILE A 22 -16.651 -10.909 -21.930 1.00 0.00 C ATOM 361 CD1 ILE A 22 -18.928 -9.174 -20.755 1.00 0.00 C ATOM 0 H ILE A 22 -15.523 -8.534 -18.885 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.195 -10.910 -19.196 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.448 -9.335 -21.094 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.254 -7.927 -20.256 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.421 -8.249 -21.971 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.744 -10.455 -22.917 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.814 -11.607 -21.929 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.570 -11.444 -21.689 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.605 -8.325 -20.849 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.187 -9.929 -21.497 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.018 -9.601 -19.756 1.00 0.00 H new ATOM 373 N THR A 23 -13.888 -11.011 -19.237 1.00 0.00 N ATOM 374 CA THR A 23 -12.676 -11.860 -19.306 1.00 0.00 C ATOM 375 C THR A 23 -11.941 -12.024 -17.969 1.00 0.00 C ATOM 376 O THR A 23 -11.000 -12.815 -17.880 1.00 0.00 O ATOM 377 CB THR A 23 -11.698 -11.319 -20.362 1.00 0.00 C ATOM 378 OG1 THR A 23 -11.210 -10.058 -19.963 1.00 0.00 O ATOM 379 CG2 THR A 23 -12.336 -11.153 -21.743 1.00 0.00 C ATOM 0 H THR A 23 -13.675 -10.030 -19.057 1.00 0.00 H new ATOM 0 HA THR A 23 -13.035 -12.850 -19.586 1.00 0.00 H new ATOM 0 HB THR A 23 -10.898 -12.056 -20.438 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.586 -9.720 -20.639 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.594 -10.768 -22.443 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.699 -12.119 -22.094 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.170 -10.454 -21.677 1.00 0.00 H new ATOM 387 N ASN A 24 -12.356 -11.298 -16.924 1.00 0.00 N ATOM 388 CA ASN A 24 -11.707 -11.202 -15.605 1.00 0.00 C ATOM 389 C ASN A 24 -10.259 -10.655 -15.621 1.00 0.00 C ATOM 390 O ASN A 24 -9.529 -10.800 -14.635 1.00 0.00 O ATOM 391 CB ASN A 24 -11.890 -12.510 -14.807 1.00 0.00 C ATOM 392 CG ASN A 24 -13.343 -12.948 -14.717 1.00 0.00 C ATOM 393 OD1 ASN A 24 -14.187 -12.273 -14.142 1.00 0.00 O ATOM 394 ND2 ASN A 24 -13.688 -14.088 -15.274 1.00 0.00 N ATOM 0 H ASN A 24 -13.201 -10.729 -16.976 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.234 -10.418 -15.061 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.305 -13.301 -15.276 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.493 -12.375 -13.801 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.656 -14.407 -15.226 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.988 -14.654 -15.754 1.00 0.00 H new ATOM 401 N ALA A 25 -9.834 -10.009 -16.714 1.00 0.00 N ATOM 402 CA ALA A 25 -8.547 -9.312 -16.807 1.00 0.00 C ATOM 403 C ALA A 25 -8.523 -8.019 -15.962 1.00 0.00 C ATOM 404 O ALA A 25 -9.570 -7.436 -15.673 1.00 0.00 O ATOM 405 CB ALA A 25 -8.251 -9.029 -18.286 1.00 0.00 C ATOM 0 H ALA A 25 -10.384 -9.956 -17.571 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.765 -9.950 -16.394 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.296 -8.510 -18.373 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.204 -9.970 -18.834 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.042 -8.405 -18.703 1.00 0.00 H new ATOM 411 N SER A 26 -7.333 -7.543 -15.583 1.00 0.00 N ATOM 412 CA SER A 26 -7.152 -6.250 -14.899 1.00 0.00 C ATOM 413 C SER A 26 -5.790 -5.605 -15.188 1.00 0.00 C ATOM 414 O SER A 26 -4.797 -6.298 -15.430 1.00 0.00 O ATOM 415 CB SER A 26 -7.357 -6.379 -13.383 1.00 0.00 C ATOM 416 OG SER A 26 -6.468 -7.318 -12.799 1.00 0.00 O ATOM 0 H SER A 26 -6.459 -8.045 -15.741 1.00 0.00 H new ATOM 0 HA SER A 26 -7.920 -5.592 -15.306 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.213 -5.405 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.385 -6.681 -13.182 1.00 0.00 H new ATOM 0 HG SER A 26 -6.632 -7.367 -11.834 1.00 0.00 H new ATOM 422 N GLN A 27 -5.749 -4.269 -15.165 1.00 0.00 N ATOM 423 CA GLN A 27 -4.535 -3.460 -15.327 1.00 0.00 C ATOM 424 C GLN A 27 -4.665 -2.090 -14.626 1.00 0.00 C ATOM 425 O GLN A 27 -5.773 -1.593 -14.419 1.00 0.00 O ATOM 426 CB GLN A 27 -4.204 -3.327 -16.825 1.00 0.00 C ATOM 427 CG GLN A 27 -5.174 -2.461 -17.642 1.00 0.00 C ATOM 428 CD GLN A 27 -4.692 -2.306 -19.084 1.00 0.00 C ATOM 429 OE1 GLN A 27 -4.463 -3.266 -19.809 1.00 0.00 O ATOM 430 NE2 GLN A 27 -4.502 -1.095 -19.554 1.00 0.00 N ATOM 0 H GLN A 27 -6.586 -3.702 -15.029 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.702 -3.965 -14.838 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.202 -2.910 -16.922 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.178 -4.325 -17.263 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.166 -2.913 -17.633 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.268 -1.479 -17.179 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.688 -0.284 -18.964 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.169 -0.965 -20.509 1.00 0.00 H new ATOM 439 N PHE A 28 -3.543 -1.467 -14.257 1.00 0.00 N ATOM 440 CA PHE A 28 -3.525 -0.210 -13.497 1.00 0.00 C ATOM 441 C PHE A 28 -3.789 1.041 -14.361 1.00 0.00 C ATOM 442 O PHE A 28 -4.482 1.960 -13.922 1.00 0.00 O ATOM 443 CB PHE A 28 -2.182 -0.131 -12.756 1.00 0.00 C ATOM 444 CG PHE A 28 -1.883 1.224 -12.149 1.00 0.00 C ATOM 445 CD1 PHE A 28 -2.467 1.607 -10.928 1.00 0.00 C ATOM 446 CD2 PHE A 28 -1.042 2.119 -12.837 1.00 0.00 C ATOM 447 CE1 PHE A 28 -2.203 2.881 -10.392 1.00 0.00 C ATOM 448 CE2 PHE A 28 -0.781 3.394 -12.303 1.00 0.00 C ATOM 449 CZ PHE A 28 -1.358 3.774 -11.078 1.00 0.00 C ATOM 0 H PHE A 28 -2.613 -1.822 -14.478 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.351 -0.218 -12.786 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.173 -0.881 -11.965 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.382 -0.390 -13.450 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.118 0.924 -10.402 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.596 1.826 -13.776 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.649 3.174 -9.453 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.138 4.081 -12.833 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.153 4.750 -10.664 1.00 0.00 H new ATOM 459 N GLU A 29 -3.263 1.081 -15.588 1.00 0.00 N ATOM 460 CA GLU A 29 -3.408 2.213 -16.521 1.00 0.00 C ATOM 461 C GLU A 29 -4.631 2.068 -17.447 1.00 0.00 C ATOM 462 O GLU A 29 -5.099 0.957 -17.708 1.00 0.00 O ATOM 463 CB GLU A 29 -2.100 2.423 -17.304 1.00 0.00 C ATOM 464 CG GLU A 29 -1.779 1.296 -18.301 1.00 0.00 C ATOM 465 CD GLU A 29 -0.382 1.452 -18.943 1.00 0.00 C ATOM 466 OE1 GLU A 29 0.052 2.594 -19.243 1.00 0.00 O ATOM 467 OE2 GLU A 29 0.299 0.420 -19.176 1.00 0.00 O ATOM 0 H GLU A 29 -2.712 0.314 -15.973 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.599 3.110 -15.932 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.161 3.367 -17.846 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.276 2.514 -16.597 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.834 0.336 -17.788 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.536 1.283 -19.085 1.00 0.00 H new ATOM 474 N ARG A 30 -5.146 3.185 -17.978 1.00 0.00 N ATOM 475 CA ARG A 30 -6.373 3.221 -18.796 1.00 0.00 C ATOM 476 C ARG A 30 -6.223 2.398 -20.102 1.00 0.00 C ATOM 477 O ARG A 30 -5.276 2.652 -20.854 1.00 0.00 O ATOM 478 CB ARG A 30 -6.762 4.697 -19.017 1.00 0.00 C ATOM 479 CG ARG A 30 -8.054 4.894 -19.823 1.00 0.00 C ATOM 480 CD ARG A 30 -7.765 5.116 -21.317 1.00 0.00 C ATOM 481 NE ARG A 30 -8.759 4.462 -22.179 1.00 0.00 N ATOM 482 CZ ARG A 30 -9.979 4.860 -22.475 1.00 0.00 C ATOM 483 NH1 ARG A 30 -10.531 5.915 -21.950 1.00 0.00 N ATOM 484 NH2 ARG A 30 -10.692 4.180 -23.319 1.00 0.00 N ATOM 0 H ARG A 30 -4.719 4.103 -17.852 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.195 2.733 -18.272 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.875 5.180 -18.047 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.945 5.203 -19.532 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.695 4.021 -19.702 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.603 5.749 -19.428 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.752 6.185 -21.528 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.773 4.732 -21.554 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.465 3.583 -22.605 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.015 6.478 -21.274 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.480 6.179 -22.215 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.307 3.340 -23.751 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.637 4.485 -23.550 1.00 0.00 H new ATOM 498 N PRO A 31 -7.111 1.420 -20.391 1.00 0.00 N ATOM 499 CA PRO A 31 -6.961 0.489 -21.516 1.00 0.00 C ATOM 500 C PRO A 31 -7.381 1.102 -22.860 1.00 0.00 C ATOM 501 O PRO A 31 -8.416 1.766 -22.953 1.00 0.00 O ATOM 502 CB PRO A 31 -7.814 -0.736 -21.153 1.00 0.00 C ATOM 503 CG PRO A 31 -8.923 -0.140 -20.290 1.00 0.00 C ATOM 504 CD PRO A 31 -8.215 0.988 -19.546 1.00 0.00 C ATOM 0 HA PRO A 31 -5.914 0.224 -21.659 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.213 -1.227 -22.041 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.236 -1.483 -20.608 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.749 0.233 -20.896 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.339 -0.877 -19.603 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.900 1.813 -19.353 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.850 0.644 -18.578 1.00 0.00 H new ATOM 512 N SER A 32 -6.616 0.814 -23.921 1.00 0.00 N ATOM 513 CA SER A 32 -6.695 1.392 -25.280 1.00 0.00 C ATOM 514 C SER A 32 -6.443 2.911 -25.361 1.00 0.00 C ATOM 515 O SER A 32 -6.692 3.668 -24.418 1.00 0.00 O ATOM 516 CB SER A 32 -7.980 0.967 -26.012 1.00 0.00 C ATOM 517 OG SER A 32 -9.104 1.667 -25.511 1.00 0.00 O ATOM 0 H SER A 32 -5.870 0.122 -23.853 1.00 0.00 H new ATOM 0 HA SER A 32 -5.850 0.957 -25.814 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.875 1.158 -27.080 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.133 -0.106 -25.893 1.00 0.00 H new ATOM 0 HG SER A 32 -8.913 1.987 -24.605 1.00 0.00 H new ATOM 523 N GLY A 33 -5.925 3.356 -26.512 1.00 0.00 N ATOM 524 CA GLY A 33 -5.607 4.762 -26.816 1.00 0.00 C ATOM 525 C GLY A 33 -4.992 4.945 -28.203 1.00 0.00 C ATOM 526 O GLY A 33 -5.754 5.190 -29.166 1.00 0.00 O ATOM 527 OXT GLY A 33 -3.751 4.830 -28.324 1.00 0.00 O ATOM 0 H GLY A 33 -5.707 2.728 -27.286 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.517 5.359 -26.746 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.916 5.144 -26.064 1.00 0.00 H new TER 531 GLY A 33 HETATM 532 C1 4N2 A 101 -3.090 -1.173 -3.847 1.00 0.00 C HETATM 533 C2 4N2 A 101 -2.412 -2.576 -3.994 1.00 0.00 C HETATM 534 C3 4N2 A 101 -1.829 -2.809 -5.423 1.00 0.00 C HETATM 535 C4 4N2 A 101 -1.766 -1.525 -6.303 1.00 0.00 C HETATM 536 C5 4N2 A 101 -1.350 -0.262 -5.502 1.00 0.00 C HETATM 537 C6 4N2 A 101 0.148 -0.149 -5.124 1.00 0.00 C HETATM 538 O2 4N2 A 101 -1.348 -2.770 -2.999 1.00 0.00 O HETATM 539 O3 4N2 A 101 -2.621 -3.832 -6.098 1.00 0.00 O HETATM 540 O4 4N2 A 101 -0.882 -1.710 -7.451 1.00 0.00 O HETATM 541 O5 4N2 A 101 -2.188 -0.089 -4.271 1.00 0.00 O HETATM 542 O6 4N2 A 101 0.564 -1.189 -4.203 1.00 0.00 O