USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=6 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= 1.77 K(o=1.8,f=-7.5!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= -0.0323 (180deg=-0.0323) USER MOD Single : A 15 THR OG1 : rot 80:sc= 0.965 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=-0.00251 X(o=-0.0025,f=-0.21) 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= 1.19 K(o=1.2,f=-0.00061) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.055 4.643 -23.196 1.00 0.00 N ATOM 2 CA LYS A 1 -15.793 5.271 -22.713 1.00 0.00 C ATOM 3 C LYS A 1 -14.616 4.294 -22.832 1.00 0.00 C ATOM 4 O LYS A 1 -13.774 4.469 -23.714 1.00 0.00 O ATOM 5 CB LYS A 1 -15.964 5.895 -21.306 1.00 0.00 C ATOM 6 CG LYS A 1 -14.962 7.013 -20.957 1.00 0.00 C ATOM 7 CD LYS A 1 -13.511 6.553 -20.730 1.00 0.00 C ATOM 8 CE LYS A 1 -12.639 7.651 -20.103 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.457 8.821 -21.003 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.837 5.322 -23.106 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.947 4.369 -24.194 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.263 3.798 -22.626 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.549 6.111 -23.363 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.974 6.296 -21.225 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.874 5.104 -20.562 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.970 7.749 -21.761 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.309 7.521 -20.057 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.508 5.676 -20.082 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.077 6.247 -21.682 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.094 7.983 -19.170 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.663 7.235 -19.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.862 9.532 -20.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.998 8.513 -21.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.384 9.237 -21.223 1.00 0.00 H new ATOM 25 N LEU A 2 -14.553 3.253 -21.990 1.00 0.00 N ATOM 26 CA LEU A 2 -13.567 2.165 -22.100 1.00 0.00 C ATOM 27 C LEU A 2 -13.874 1.214 -23.286 1.00 0.00 C ATOM 28 O LEU A 2 -15.023 1.166 -23.743 1.00 0.00 O ATOM 29 CB LEU A 2 -13.511 1.370 -20.773 1.00 0.00 C ATOM 30 CG LEU A 2 -12.882 2.027 -19.529 1.00 0.00 C ATOM 31 CD1 LEU A 2 -11.704 2.946 -19.854 1.00 0.00 C ATOM 32 CD2 LEU A 2 -13.907 2.777 -18.685 1.00 0.00 C ATOM 0 H LEU A 2 -15.192 3.140 -21.203 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.595 2.618 -22.295 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -14.532 1.090 -20.515 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.966 0.446 -20.967 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.494 1.192 -18.945 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.311 3.374 -18.932 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.921 2.372 -20.351 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.039 3.748 -20.512 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.412 3.221 -17.821 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -14.366 3.563 -19.284 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.676 2.083 -18.346 1.00 0.00 H new ATOM 44 N PRO A 3 -12.885 0.434 -23.774 1.00 0.00 N ATOM 45 CA PRO A 3 -13.106 -0.650 -24.742 1.00 0.00 C ATOM 46 C PRO A 3 -14.008 -1.782 -24.184 1.00 0.00 C ATOM 47 O PRO A 3 -14.235 -1.845 -22.969 1.00 0.00 O ATOM 48 CB PRO A 3 -11.702 -1.142 -25.127 1.00 0.00 C ATOM 49 CG PRO A 3 -10.848 -0.791 -23.912 1.00 0.00 C ATOM 50 CD PRO A 3 -11.475 0.499 -23.403 1.00 0.00 C ATOM 0 HA PRO A 3 -13.654 -0.295 -25.614 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.694 -2.214 -25.326 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.338 -0.648 -26.028 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.879 -1.578 -23.158 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.802 -0.650 -24.183 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.359 0.589 -22.323 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.994 1.369 -23.849 1.00 0.00 H new ATOM 58 N PRO A 4 -14.531 -2.691 -25.034 1.00 0.00 N ATOM 59 CA PRO A 4 -15.559 -3.669 -24.654 1.00 0.00 C ATOM 60 C PRO A 4 -15.245 -4.515 -23.409 1.00 0.00 C ATOM 61 O PRO A 4 -14.183 -5.132 -23.292 1.00 0.00 O ATOM 62 CB PRO A 4 -15.776 -4.542 -25.894 1.00 0.00 C ATOM 63 CG PRO A 4 -15.492 -3.566 -27.032 1.00 0.00 C ATOM 64 CD PRO A 4 -14.332 -2.739 -26.478 1.00 0.00 C ATOM 0 HA PRO A 4 -16.458 -3.133 -24.349 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.100 -5.397 -25.913 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.791 -4.937 -25.941 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.218 -4.084 -27.951 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.359 -2.946 -27.261 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.374 -3.195 -26.725 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.328 -1.736 -26.905 1.00 0.00 H new ATOM 72 N GLY A 5 -16.203 -4.555 -22.478 1.00 0.00 N ATOM 73 CA GLY A 5 -16.142 -5.305 -21.216 1.00 0.00 C ATOM 74 C GLY A 5 -15.351 -4.644 -20.078 1.00 0.00 C ATOM 75 O GLY A 5 -15.496 -5.072 -18.932 1.00 0.00 O ATOM 0 H GLY A 5 -17.080 -4.045 -22.586 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.161 -5.479 -20.870 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.702 -6.282 -21.418 1.00 0.00 H new ATOM 79 N TRP A 6 -14.548 -3.608 -20.343 1.00 0.00 N ATOM 80 CA TRP A 6 -13.744 -2.908 -19.330 1.00 0.00 C ATOM 81 C TRP A 6 -14.549 -1.855 -18.550 1.00 0.00 C ATOM 82 O TRP A 6 -15.362 -1.121 -19.115 1.00 0.00 O ATOM 83 CB TRP A 6 -12.510 -2.278 -19.983 1.00 0.00 C ATOM 84 CG TRP A 6 -11.464 -3.231 -20.482 1.00 0.00 C ATOM 85 CD1 TRP A 6 -11.418 -3.753 -21.729 1.00 0.00 C ATOM 86 CD2 TRP A 6 -10.308 -3.790 -19.778 1.00 0.00 C ATOM 87 NE1 TRP A 6 -10.315 -4.574 -21.855 1.00 0.00 N ATOM 88 CE2 TRP A 6 -9.595 -4.635 -20.682 1.00 0.00 C ATOM 89 CE3 TRP A 6 -9.775 -3.654 -18.477 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -8.430 -5.322 -20.316 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -8.592 -4.324 -18.105 1.00 0.00 C ATOM 92 CH2 TRP A 6 -7.925 -5.163 -19.015 1.00 0.00 C ATOM 0 H TRP A 6 -14.435 -3.225 -21.281 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.426 -3.652 -18.600 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -12.842 -1.664 -20.821 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -12.045 -1.607 -19.261 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -12.137 -3.557 -22.510 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -10.065 -5.073 -22.709 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -10.281 -3.028 -17.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.928 -5.964 -21.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -8.194 -4.191 -17.110 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -7.028 -5.683 -18.715 1.00 0.00 H new ATOM 103 N GLU A 7 -14.284 -1.748 -17.248 1.00 0.00 N ATOM 104 CA GLU A 7 -14.863 -0.762 -16.324 1.00 0.00 C ATOM 105 C GLU A 7 -13.870 -0.423 -15.189 1.00 0.00 C ATOM 106 O GLU A 7 -12.976 -1.218 -14.880 1.00 0.00 O ATOM 107 CB GLU A 7 -16.194 -1.323 -15.781 1.00 0.00 C ATOM 108 CG GLU A 7 -16.997 -0.313 -14.945 1.00 0.00 C ATOM 109 CD GLU A 7 -18.459 -0.757 -14.715 1.00 0.00 C ATOM 110 OE1 GLU A 7 -18.724 -1.964 -14.485 1.00 0.00 O ATOM 111 OE2 GLU A 7 -19.368 0.112 -14.739 1.00 0.00 O ATOM 0 H GLU A 7 -13.628 -2.375 -16.782 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.062 0.172 -16.849 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.806 -1.655 -16.619 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.985 -2.202 -15.171 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.508 -0.175 -13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.990 0.655 -15.447 1.00 0.00 H new ATOM 118 N LYS A 8 -14.008 0.749 -14.552 1.00 0.00 N ATOM 119 CA LYS A 8 -13.200 1.136 -13.384 1.00 0.00 C ATOM 120 C LYS A 8 -13.541 0.303 -12.146 1.00 0.00 C ATOM 121 O LYS A 8 -14.699 -0.049 -11.899 1.00 0.00 O ATOM 122 CB LYS A 8 -13.332 2.637 -13.081 1.00 0.00 C ATOM 123 CG LYS A 8 -12.512 3.441 -14.096 1.00 0.00 C ATOM 124 CD LYS A 8 -12.646 4.962 -13.936 1.00 0.00 C ATOM 125 CE LYS A 8 -11.900 5.454 -12.690 1.00 0.00 C ATOM 126 NZ LYS A 8 -12.003 6.929 -12.543 1.00 0.00 N ATOM 0 H LYS A 8 -14.685 1.458 -14.833 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.161 0.931 -13.641 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.379 2.936 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.983 2.846 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.462 3.166 -14.000 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.823 3.162 -15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.250 5.460 -14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.700 5.232 -13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.310 4.969 -11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.851 5.166 -12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.488 7.230 -11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.590 7.391 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.003 7.200 -12.457 1.00 0.00 H new ATOM 140 N ARG A 9 -12.506 0.028 -11.360 1.00 0.00 N ATOM 141 CA ARG A 9 -12.520 -0.752 -10.107 1.00 0.00 C ATOM 142 C ARG A 9 -11.491 -0.189 -9.111 1.00 0.00 C ATOM 143 O ARG A 9 -10.669 0.652 -9.480 1.00 0.00 O ATOM 144 CB ARG A 9 -12.306 -2.235 -10.476 1.00 0.00 C ATOM 145 CG ARG A 9 -12.768 -3.209 -9.381 1.00 0.00 C ATOM 146 CD ARG A 9 -12.863 -4.643 -9.919 1.00 0.00 C ATOM 147 NE ARG A 9 -13.256 -5.584 -8.852 1.00 0.00 N ATOM 148 CZ ARG A 9 -13.388 -6.893 -8.960 1.00 0.00 C ATOM 149 NH1 ARG A 9 -13.709 -7.607 -7.919 1.00 0.00 N ATOM 150 NH2 ARG A 9 -13.213 -7.525 -10.085 1.00 0.00 N ATOM 0 H ARG A 9 -11.569 0.361 -11.587 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.477 -0.674 -9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.845 -2.454 -11.398 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.248 -2.402 -10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.070 -3.177 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.739 -2.896 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.590 -4.683 -10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.902 -4.943 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.446 -5.180 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.859 -7.155 -7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.810 -8.618 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.964 -7.007 -10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.325 -8.538 -10.124 1.00 0.00 H new ATOM 164 N MET A 10 -11.542 -0.591 -7.840 1.00 0.00 N ATOM 165 CA MET A 10 -10.752 0.041 -6.771 1.00 0.00 C ATOM 166 C MET A 10 -10.478 -0.900 -5.588 1.00 0.00 C ATOM 167 O MET A 10 -11.356 -1.650 -5.156 1.00 0.00 O ATOM 168 CB MET A 10 -11.504 1.306 -6.314 1.00 0.00 C ATOM 169 CG MET A 10 -10.769 2.134 -5.258 1.00 0.00 C ATOM 170 SD MET A 10 -11.637 3.672 -4.843 1.00 0.00 S ATOM 171 CE MET A 10 -10.477 4.351 -3.631 1.00 0.00 C ATOM 0 H MET A 10 -12.129 -1.361 -7.519 1.00 0.00 H new ATOM 0 HA MET A 10 -9.769 0.298 -7.166 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.693 1.935 -7.184 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.475 1.012 -5.916 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.646 1.536 -4.355 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.769 2.373 -5.621 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.852 5.306 -3.264 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.374 3.657 -2.797 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.505 4.499 -4.101 1.00 0.00 H new ATOM 181 N PHE A 11 -9.255 -0.840 -5.054 1.00 0.00 N ATOM 182 CA PHE A 11 -8.819 -1.535 -3.837 1.00 0.00 C ATOM 183 C PHE A 11 -9.140 -0.725 -2.570 1.00 0.00 C ATOM 184 O PHE A 11 -9.090 0.509 -2.571 1.00 0.00 O ATOM 185 CB PHE A 11 -7.308 -1.815 -3.912 1.00 0.00 C ATOM 186 CG PHE A 11 -6.889 -2.836 -4.953 1.00 0.00 C ATOM 187 CD1 PHE A 11 -6.400 -2.421 -6.206 1.00 0.00 C ATOM 188 CD2 PHE A 11 -6.964 -4.210 -4.655 1.00 0.00 C ATOM 189 CE1 PHE A 11 -6.000 -3.376 -7.159 1.00 0.00 C ATOM 190 CE2 PHE A 11 -6.561 -5.164 -5.608 1.00 0.00 C ATOM 191 CZ PHE A 11 -6.083 -4.748 -6.862 1.00 0.00 C ATOM 0 H PHE A 11 -8.510 -0.284 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.366 -2.476 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.791 -0.878 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.970 -2.158 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.332 -1.368 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.332 -4.533 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.628 -3.054 -8.121 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.619 -6.217 -5.375 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.780 -5.480 -7.596 1.00 0.00 H new ATOM 201 N ALA A 12 -9.376 -1.418 -1.451 1.00 0.00 N ATOM 202 CA ALA A 12 -9.653 -0.808 -0.142 1.00 0.00 C ATOM 203 C ALA A 12 -8.477 0.021 0.429 1.00 0.00 C ATOM 204 O ALA A 12 -8.673 0.836 1.334 1.00 0.00 O ATOM 205 CB ALA A 12 -10.068 -1.928 0.819 1.00 0.00 C ATOM 0 H ALA A 12 -9.380 -2.438 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.458 -0.084 -0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.280 -1.505 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.960 -2.423 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.259 -2.653 0.904 1.00 0.00 H new ATOM 211 N ASN A 13 -7.265 -0.144 -0.119 1.00 0.00 N ATOM 212 CA ASN A 13 -6.079 0.659 0.204 1.00 0.00 C ATOM 213 C ASN A 13 -6.070 2.067 -0.444 1.00 0.00 C ATOM 214 O ASN A 13 -5.170 2.863 -0.160 1.00 0.00 O ATOM 215 CB ASN A 13 -4.816 -0.160 -0.138 1.00 0.00 C ATOM 216 CG ASN A 13 -4.594 -0.428 -1.624 1.00 0.00 C ATOM 217 OD1 ASN A 13 -5.083 0.295 -2.490 1.00 0.00 O ATOM 218 ND2 ASN A 13 -3.841 -1.471 -1.929 1.00 0.00 N ATOM 0 H ASN A 13 -7.078 -0.861 -0.820 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.099 0.869 1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.945 0.366 0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.871 -1.116 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.450 -2.052 -1.187 1.00 0.00 H new ATOM 224 N GLY A 14 -7.044 2.379 -1.311 1.00 0.00 N ATOM 225 CA GLY A 14 -7.163 3.660 -2.018 1.00 0.00 C ATOM 226 C GLY A 14 -6.670 3.662 -3.474 1.00 0.00 C ATOM 227 O GLY A 14 -6.650 4.726 -4.096 1.00 0.00 O ATOM 0 H GLY A 14 -7.792 1.727 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.209 3.965 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.605 4.414 -1.463 1.00 0.00 H new ATOM 231 N THR A 15 -6.292 2.510 -4.044 1.00 0.00 N ATOM 232 CA THR A 15 -5.738 2.420 -5.413 1.00 0.00 C ATOM 233 C THR A 15 -6.830 2.092 -6.435 1.00 0.00 C ATOM 234 O THR A 15 -7.527 1.085 -6.302 1.00 0.00 O ATOM 235 CB THR A 15 -4.611 1.373 -5.511 1.00 0.00 C ATOM 236 OG1 THR A 15 -3.641 1.576 -4.504 1.00 0.00 O ATOM 237 CG2 THR A 15 -3.886 1.438 -6.857 1.00 0.00 C ATOM 0 H THR A 15 -6.360 1.608 -3.572 1.00 0.00 H new ATOM 0 HA THR A 15 -5.319 3.400 -5.642 1.00 0.00 H new ATOM 0 HB THR A 15 -5.093 0.402 -5.395 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.964 1.200 -3.659 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.100 0.684 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.596 1.250 -7.662 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.445 2.426 -6.985 1.00 0.00 H new ATOM 245 N VAL A 16 -6.963 2.917 -7.479 1.00 0.00 N ATOM 246 CA VAL A 16 -7.919 2.742 -8.589 1.00 0.00 C ATOM 247 C VAL A 16 -7.253 2.026 -9.772 1.00 0.00 C ATOM 248 O VAL A 16 -6.077 2.251 -10.066 1.00 0.00 O ATOM 249 CB VAL A 16 -8.513 4.107 -8.995 1.00 0.00 C ATOM 250 CG1 VAL A 16 -9.374 4.054 -10.263 1.00 0.00 C ATOM 251 CG2 VAL A 16 -9.395 4.664 -7.870 1.00 0.00 C ATOM 0 H VAL A 16 -6.391 3.755 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.741 2.109 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.651 4.745 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.756 5.050 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.769 3.703 -11.099 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.209 3.371 -10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.806 5.627 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.210 3.969 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.796 4.792 -6.968 1.00 0.00 H new ATOM 261 N TYR A 17 -8.009 1.161 -10.450 1.00 0.00 N ATOM 262 CA TYR A 17 -7.582 0.366 -11.607 1.00 0.00 C ATOM 263 C TYR A 17 -8.754 0.093 -12.570 1.00 0.00 C ATOM 264 O TYR A 17 -9.872 0.577 -12.368 1.00 0.00 O ATOM 265 CB TYR A 17 -6.923 -0.933 -11.103 1.00 0.00 C ATOM 266 CG TYR A 17 -7.832 -1.964 -10.448 1.00 0.00 C ATOM 267 CD1 TYR A 17 -8.215 -1.817 -9.100 1.00 0.00 C ATOM 268 CD2 TYR A 17 -8.218 -3.119 -11.160 1.00 0.00 C ATOM 269 CE1 TYR A 17 -8.933 -2.841 -8.452 1.00 0.00 C ATOM 270 CE2 TYR A 17 -8.950 -4.138 -10.520 1.00 0.00 C ATOM 271 CZ TYR A 17 -9.278 -4.015 -9.154 1.00 0.00 C ATOM 272 OH TYR A 17 -9.909 -5.034 -8.513 1.00 0.00 O ATOM 0 H TYR A 17 -8.982 0.986 -10.197 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.848 0.928 -12.184 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.425 -1.409 -11.948 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.147 -0.663 -10.387 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.957 -0.917 -8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.951 -3.222 -12.201 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.220 -2.727 -7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.259 -5.012 -11.074 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.074 -5.765 -9.144 1.00 0.00 H new ATOM 282 N TYR A 18 -8.507 -0.677 -13.629 1.00 0.00 N ATOM 283 CA TYR A 18 -9.495 -1.090 -14.630 1.00 0.00 C ATOM 284 C TYR A 18 -9.588 -2.620 -14.691 1.00 0.00 C ATOM 285 O TYR A 18 -8.571 -3.317 -14.645 1.00 0.00 O ATOM 286 CB TYR A 18 -9.140 -0.486 -15.996 1.00 0.00 C ATOM 287 CG TYR A 18 -9.069 1.032 -15.999 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.193 1.794 -16.374 1.00 0.00 C ATOM 289 CD2 TYR A 18 -7.885 1.683 -15.600 1.00 0.00 C ATOM 290 CE1 TYR A 18 -10.129 3.200 -16.343 1.00 0.00 C ATOM 291 CE2 TYR A 18 -7.824 3.089 -15.551 1.00 0.00 C ATOM 292 CZ TYR A 18 -8.951 3.852 -15.924 1.00 0.00 C ATOM 293 OH TYR A 18 -8.911 5.210 -15.873 1.00 0.00 O ATOM 0 H TYR A 18 -7.576 -1.046 -13.823 1.00 0.00 H new ATOM 0 HA TYR A 18 -10.478 -0.715 -14.343 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -8.179 -0.885 -16.320 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -9.882 -0.807 -16.728 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.102 1.300 -16.685 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.018 1.099 -15.330 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.988 3.783 -16.642 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.918 3.581 -15.229 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.028 5.500 -15.563 1.00 0.00 H new ATOM 303 N PHE A 19 -10.807 -3.143 -14.805 1.00 0.00 N ATOM 304 CA PHE A 19 -11.121 -4.574 -14.814 1.00 0.00 C ATOM 305 C PHE A 19 -12.118 -4.908 -15.931 1.00 0.00 C ATOM 306 O PHE A 19 -13.063 -4.154 -16.170 1.00 0.00 O ATOM 307 CB PHE A 19 -11.644 -4.977 -13.427 1.00 0.00 C ATOM 308 CG PHE A 19 -12.314 -6.339 -13.350 1.00 0.00 C ATOM 309 CD1 PHE A 19 -11.536 -7.497 -13.167 1.00 0.00 C ATOM 310 CD2 PHE A 19 -13.717 -6.454 -13.450 1.00 0.00 C ATOM 311 CE1 PHE A 19 -12.149 -8.761 -13.085 1.00 0.00 C ATOM 312 CE2 PHE A 19 -14.331 -7.715 -13.349 1.00 0.00 C ATOM 313 CZ PHE A 19 -13.548 -8.869 -13.174 1.00 0.00 C ATOM 0 H PHE A 19 -11.638 -2.559 -14.898 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.220 -5.151 -15.024 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.810 -4.962 -12.725 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.356 -4.222 -13.093 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.462 -7.415 -13.089 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -14.320 -5.572 -13.604 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.546 -9.647 -12.954 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.406 -7.797 -13.406 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.021 -9.838 -13.108 1.00 0.00 H new ATOM 323 N ASN A 20 -11.919 -6.039 -16.609 1.00 0.00 N ATOM 324 CA ASN A 20 -12.817 -6.538 -17.644 1.00 0.00 C ATOM 325 C ASN A 20 -13.771 -7.600 -17.083 1.00 0.00 C ATOM 326 O ASN A 20 -13.338 -8.671 -16.654 1.00 0.00 O ATOM 327 CB ASN A 20 -12.000 -7.045 -18.839 1.00 0.00 C ATOM 328 CG ASN A 20 -12.893 -7.259 -20.048 1.00 0.00 C ATOM 329 OD1 ASN A 20 -13.832 -8.040 -20.026 1.00 0.00 O ATOM 330 ND2 ASN A 20 -12.669 -6.535 -21.117 1.00 0.00 N ATOM 0 H ASN A 20 -11.113 -6.643 -16.449 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.447 -5.723 -17.999 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.217 -6.326 -19.082 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.505 -7.980 -18.577 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.279 -6.624 -21.930 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.885 -5.883 -21.136 1.00 0.00 H new ATOM 337 N HIS A 21 -15.078 -7.332 -17.119 1.00 0.00 N ATOM 338 CA HIS A 21 -16.094 -8.220 -16.533 1.00 0.00 C ATOM 339 C HIS A 21 -16.400 -9.463 -17.391 1.00 0.00 C ATOM 340 O HIS A 21 -16.948 -10.444 -16.882 1.00 0.00 O ATOM 341 CB HIS A 21 -17.346 -7.397 -16.183 1.00 0.00 C ATOM 342 CG HIS A 21 -18.371 -7.271 -17.291 1.00 0.00 C ATOM 343 ND1 HIS A 21 -19.364 -8.212 -17.587 1.00 0.00 N ATOM 344 CD2 HIS A 21 -18.491 -6.227 -18.162 1.00 0.00 C ATOM 345 CE1 HIS A 21 -20.056 -7.712 -18.625 1.00 0.00 C ATOM 346 NE2 HIS A 21 -19.553 -6.520 -18.989 1.00 0.00 N ATOM 0 H HIS A 21 -15.465 -6.495 -17.554 1.00 0.00 H new ATOM 0 HA HIS A 21 -15.687 -8.640 -15.613 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -17.827 -7.850 -15.316 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -17.031 -6.396 -15.887 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -17.873 -5.342 -18.196 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -20.896 -8.198 -19.099 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -19.899 -5.933 -19.748 1.00 0.00 H new ATOM 354 N ILE A 22 -16.008 -9.447 -18.670 1.00 0.00 N ATOM 355 CA ILE A 22 -16.243 -10.523 -19.649 1.00 0.00 C ATOM 356 C ILE A 22 -15.077 -11.526 -19.656 1.00 0.00 C ATOM 357 O ILE A 22 -15.300 -12.737 -19.725 1.00 0.00 O ATOM 358 CB ILE A 22 -16.485 -9.914 -21.057 1.00 0.00 C ATOM 359 CG1 ILE A 22 -17.641 -8.883 -21.020 1.00 0.00 C ATOM 360 CG2 ILE A 22 -16.767 -11.018 -22.094 1.00 0.00 C ATOM 361 CD1 ILE A 22 -17.922 -8.171 -22.349 1.00 0.00 C ATOM 0 H ILE A 22 -15.500 -8.658 -19.069 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.137 -11.075 -19.359 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.576 -9.393 -21.359 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.550 -9.391 -20.699 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.412 -8.131 -20.264 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.933 -10.565 -23.071 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.913 -11.694 -22.147 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.654 -11.577 -21.798 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.747 -7.471 -22.219 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.032 -7.628 -22.666 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.187 -8.908 -23.107 1.00 0.00 H new ATOM 373 N THR A 23 -13.838 -11.032 -19.553 1.00 0.00 N ATOM 374 CA THR A 23 -12.597 -11.829 -19.685 1.00 0.00 C ATOM 375 C THR A 23 -11.811 -11.991 -18.375 1.00 0.00 C ATOM 376 O THR A 23 -10.804 -12.703 -18.349 1.00 0.00 O ATOM 377 CB THR A 23 -11.682 -11.232 -20.767 1.00 0.00 C ATOM 378 OG1 THR A 23 -11.231 -9.958 -20.365 1.00 0.00 O ATOM 379 CG2 THR A 23 -12.380 -11.069 -22.118 1.00 0.00 C ATOM 0 H THR A 23 -13.658 -10.045 -19.371 1.00 0.00 H new ATOM 0 HA THR A 23 -12.924 -12.828 -19.975 1.00 0.00 H new ATOM 0 HB THR A 23 -10.856 -11.934 -20.886 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.647 -9.584 -21.058 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.682 -10.643 -22.839 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.719 -12.043 -22.472 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.237 -10.405 -22.007 1.00 0.00 H new ATOM 387 N ASN A 24 -12.254 -11.347 -17.287 1.00 0.00 N ATOM 388 CA ASN A 24 -11.609 -11.308 -15.965 1.00 0.00 C ATOM 389 C ASN A 24 -10.184 -10.699 -15.943 1.00 0.00 C ATOM 390 O ASN A 24 -9.458 -10.853 -14.957 1.00 0.00 O ATOM 391 CB ASN A 24 -11.721 -12.677 -15.258 1.00 0.00 C ATOM 392 CG ASN A 24 -13.139 -13.227 -15.234 1.00 0.00 C ATOM 393 OD1 ASN A 24 -13.546 -14.017 -16.077 1.00 0.00 O ATOM 394 ND2 ASN A 24 -13.938 -12.837 -14.266 1.00 0.00 N ATOM 0 H ASN A 24 -13.120 -10.809 -17.305 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.175 -10.588 -15.374 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.070 -13.392 -15.761 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.359 -12.580 -14.235 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.893 -13.192 -14.219 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.603 -12.179 -13.562 1.00 0.00 H new ATOM 401 N ALA A 25 -9.777 -9.994 -17.006 1.00 0.00 N ATOM 402 CA ALA A 25 -8.510 -9.262 -17.074 1.00 0.00 C ATOM 403 C ALA A 25 -8.514 -8.003 -16.180 1.00 0.00 C ATOM 404 O ALA A 25 -9.574 -7.462 -15.859 1.00 0.00 O ATOM 405 CB ALA A 25 -8.229 -8.916 -18.542 1.00 0.00 C ATOM 0 H ALA A 25 -10.331 -9.916 -17.859 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.711 -9.894 -16.687 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.288 -8.370 -18.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.161 -9.834 -19.126 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.038 -8.298 -18.931 1.00 0.00 H new ATOM 411 N SER A 26 -7.334 -7.507 -15.795 1.00 0.00 N ATOM 412 CA SER A 26 -7.179 -6.230 -15.074 1.00 0.00 C ATOM 413 C SER A 26 -5.852 -5.528 -15.392 1.00 0.00 C ATOM 414 O SER A 26 -4.846 -6.179 -15.694 1.00 0.00 O ATOM 415 CB SER A 26 -7.329 -6.421 -13.557 1.00 0.00 C ATOM 416 OG SER A 26 -6.357 -7.309 -13.030 1.00 0.00 O ATOM 0 H SER A 26 -6.449 -7.981 -15.974 1.00 0.00 H new ATOM 0 HA SER A 26 -7.982 -5.583 -15.427 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.243 -5.454 -13.061 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.326 -6.804 -13.338 1.00 0.00 H new ATOM 0 HG SER A 26 -6.488 -7.400 -12.063 1.00 0.00 H new ATOM 422 N GLN A 27 -5.851 -4.191 -15.330 1.00 0.00 N ATOM 423 CA GLN A 27 -4.664 -3.340 -15.500 1.00 0.00 C ATOM 424 C GLN A 27 -4.815 -1.996 -14.759 1.00 0.00 C ATOM 425 O GLN A 27 -5.930 -1.528 -14.528 1.00 0.00 O ATOM 426 CB GLN A 27 -4.358 -3.159 -17.000 1.00 0.00 C ATOM 427 CG GLN A 27 -5.401 -2.383 -17.817 1.00 0.00 C ATOM 428 CD GLN A 27 -4.839 -2.002 -19.185 1.00 0.00 C ATOM 429 OE1 GLN A 27 -4.692 -2.816 -20.087 1.00 0.00 O ATOM 430 NE2 GLN A 27 -4.484 -0.752 -19.380 1.00 0.00 N ATOM 0 H GLN A 27 -6.701 -3.654 -15.155 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.808 -3.837 -15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.400 -2.648 -17.095 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.239 -4.146 -17.447 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.297 -2.990 -17.943 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.698 -1.484 -17.277 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.602 -0.066 -18.635 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.090 -0.468 -20.277 1.00 0.00 H new ATOM 439 N PHE A 28 -3.701 -1.371 -14.365 1.00 0.00 N ATOM 440 CA PHE A 28 -3.697 -0.155 -13.540 1.00 0.00 C ATOM 441 C PHE A 28 -3.973 1.132 -14.341 1.00 0.00 C ATOM 442 O PHE A 28 -4.793 1.956 -13.931 1.00 0.00 O ATOM 443 CB PHE A 28 -2.356 -0.099 -12.794 1.00 0.00 C ATOM 444 CG PHE A 28 -2.088 1.222 -12.107 1.00 0.00 C ATOM 445 CD1 PHE A 28 -2.682 1.513 -10.865 1.00 0.00 C ATOM 446 CD2 PHE A 28 -1.273 2.180 -12.739 1.00 0.00 C ATOM 447 CE1 PHE A 28 -2.455 2.759 -10.254 1.00 0.00 C ATOM 448 CE2 PHE A 28 -1.049 3.428 -12.130 1.00 0.00 C ATOM 449 CZ PHE A 28 -1.638 3.715 -10.884 1.00 0.00 C ATOM 0 H PHE A 28 -2.766 -1.697 -14.611 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.522 -0.208 -12.830 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.333 -0.895 -12.050 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.550 -0.299 -13.500 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.311 0.780 -10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.819 1.956 -13.693 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.909 2.982 -9.300 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.427 4.164 -12.617 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.462 4.670 -10.411 1.00 0.00 H new ATOM 459 N GLU A 29 -3.317 1.300 -15.494 1.00 0.00 N ATOM 460 CA GLU A 29 -3.560 2.411 -16.432 1.00 0.00 C ATOM 461 C GLU A 29 -4.776 2.134 -17.340 1.00 0.00 C ATOM 462 O GLU A 29 -5.286 1.013 -17.375 1.00 0.00 O ATOM 463 CB GLU A 29 -2.276 2.715 -17.224 1.00 0.00 C ATOM 464 CG GLU A 29 -1.874 1.611 -18.217 1.00 0.00 C ATOM 465 CD GLU A 29 -0.494 1.867 -18.862 1.00 0.00 C ATOM 466 OE1 GLU A 29 0.263 0.888 -19.088 1.00 0.00 O ATOM 467 OE2 GLU A 29 -0.147 3.036 -19.172 1.00 0.00 O ATOM 0 H GLU A 29 -2.589 0.659 -15.811 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.816 3.305 -15.864 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.411 3.648 -17.770 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.457 2.873 -16.522 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.857 0.651 -17.701 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.629 1.539 -19.000 1.00 0.00 H new ATOM 474 N ARG A 30 -5.255 3.132 -18.095 1.00 0.00 N ATOM 475 CA ARG A 30 -6.494 3.018 -18.891 1.00 0.00 C ATOM 476 C ARG A 30 -6.336 2.035 -20.074 1.00 0.00 C ATOM 477 O ARG A 30 -5.379 2.187 -20.841 1.00 0.00 O ATOM 478 CB ARG A 30 -6.929 4.412 -19.381 1.00 0.00 C ATOM 479 CG ARG A 30 -8.433 4.482 -19.703 1.00 0.00 C ATOM 480 CD ARG A 30 -8.736 5.330 -20.941 1.00 0.00 C ATOM 481 NE ARG A 30 -8.434 4.580 -22.175 1.00 0.00 N ATOM 482 CZ ARG A 30 -8.286 5.066 -23.393 1.00 0.00 C ATOM 483 NH1 ARG A 30 -8.339 6.340 -23.660 1.00 0.00 N ATOM 484 NH2 ARG A 30 -8.082 4.242 -24.375 1.00 0.00 N ATOM 0 H ARG A 30 -4.799 4.041 -18.174 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.273 2.608 -18.247 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.689 5.153 -18.618 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.358 4.675 -20.271 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.814 3.473 -19.858 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.964 4.896 -18.846 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.785 5.626 -20.937 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.146 6.246 -20.913 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.327 3.570 -22.075 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.501 7.012 -22.910 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.218 6.666 -24.619 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.039 3.238 -24.198 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.965 4.598 -25.324 1.00 0.00 H new ATOM 498 N PRO A 31 -7.241 1.053 -20.269 1.00 0.00 N ATOM 499 CA PRO A 31 -7.179 0.105 -21.389 1.00 0.00 C ATOM 500 C PRO A 31 -7.474 0.743 -22.756 1.00 0.00 C ATOM 501 O PRO A 31 -8.150 1.771 -22.854 1.00 0.00 O ATOM 502 CB PRO A 31 -8.186 -1.001 -21.049 1.00 0.00 C ATOM 503 CG PRO A 31 -9.207 -0.264 -20.188 1.00 0.00 C ATOM 504 CD PRO A 31 -8.325 0.672 -19.373 1.00 0.00 C ATOM 0 HA PRO A 31 -6.166 -0.281 -21.497 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.641 -1.425 -21.944 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.718 -1.824 -20.509 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.931 0.282 -20.793 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.772 -0.946 -19.553 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.883 1.546 -19.037 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.943 0.176 -18.481 1.00 0.00 H new ATOM 512 N SER A 32 -6.985 0.105 -23.824 1.00 0.00 N ATOM 513 CA SER A 32 -7.116 0.552 -25.227 1.00 0.00 C ATOM 514 C SER A 32 -7.634 -0.525 -26.202 1.00 0.00 C ATOM 515 O SER A 32 -7.891 -0.214 -27.369 1.00 0.00 O ATOM 516 CB SER A 32 -5.764 1.102 -25.702 1.00 0.00 C ATOM 517 OG SER A 32 -4.770 0.088 -25.672 1.00 0.00 O ATOM 0 H SER A 32 -6.467 -0.770 -23.739 1.00 0.00 H new ATOM 0 HA SER A 32 -7.881 1.328 -25.236 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.861 1.493 -26.715 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.461 1.934 -25.066 1.00 0.00 H new ATOM 0 HG SER A 32 -3.916 0.458 -25.980 1.00 0.00 H new ATOM 523 N GLY A 33 -7.832 -1.769 -25.739 1.00 0.00 N ATOM 524 CA GLY A 33 -8.349 -2.903 -26.528 1.00 0.00 C ATOM 525 C GLY A 33 -7.348 -3.443 -27.554 1.00 0.00 C ATOM 526 O GLY A 33 -7.678 -3.455 -28.763 1.00 0.00 O ATOM 527 OXT GLY A 33 -6.248 -3.880 -27.144 1.00 0.00 O ATOM 0 H GLY A 33 -7.630 -2.024 -24.772 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.631 -3.708 -25.850 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.255 -2.591 -27.047 1.00 0.00 H new TER 531 GLY A 33 HETATM 532 C1 4N2 A 101 -3.408 -1.785 -3.274 1.00 0.00 C HETATM 533 C2 4N2 A 101 -3.080 -3.303 -3.484 1.00 0.00 C HETATM 534 C3 4N2 A 101 -2.301 -3.517 -4.812 1.00 0.00 C HETATM 535 C4 4N2 A 101 -1.065 -2.585 -4.933 1.00 0.00 C HETATM 536 C5 4N2 A 101 -1.492 -1.109 -4.733 1.00 0.00 C HETATM 537 C6 4N2 A 101 -0.327 -0.099 -4.789 1.00 0.00 C HETATM 538 O2 4N2 A 101 -2.295 -3.860 -2.373 1.00 0.00 O HETATM 539 O3 4N2 A 101 -3.171 -3.263 -5.952 1.00 0.00 O HETATM 540 O4 4N2 A 101 -0.053 -2.972 -3.950 1.00 0.00 O HETATM 541 O5 4N2 A 101 -2.207 -0.957 -3.433 1.00 0.00 O HETATM 542 O6 4N2 A 101 -0.817 1.249 -4.998 1.00 0.00 O