USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 272 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 Single : A 1 MET CE :methyl -117:sc= -0.011 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ -154:sc= -1.62 (180deg=-2.98!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 178:sc= -0.115 (180deg=-0.125) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 14 ASN : amide:sc= -0.595 K(o=-0.6,f=-2.7!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.29! C(o=-1.3!,f=-3.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.833 14.777 6.175 1.00 0.00 N ATOM 2 CA MET A 1 -15.809 15.446 7.507 1.00 0.00 C ATOM 3 C MET A 1 -15.605 14.395 8.601 1.00 0.00 C ATOM 4 O MET A 1 -14.620 14.409 9.314 1.00 0.00 O ATOM 5 CB MET A 1 -17.136 16.172 7.737 1.00 0.00 C ATOM 6 CG MET A 1 -17.514 16.953 6.476 1.00 0.00 C ATOM 7 SD MET A 1 -19.236 17.497 6.597 1.00 0.00 S ATOM 8 CE MET A 1 -18.967 18.844 7.775 1.00 0.00 C ATOM 0 H1 MET A 1 -15.532 15.451 5.442 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.185 13.963 6.183 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.798 14.449 5.969 1.00 0.00 H new ATOM 0 HA MET A 1 -14.991 16.166 7.538 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.919 15.454 7.981 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.050 16.850 8.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.857 17.814 6.358 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.380 16.327 5.594 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.504 18.631 8.700 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.902 18.935 7.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.334 19.778 7.349 1.00 0.00 H new ATOM 20 N SER A 2 -16.526 13.482 8.737 1.00 0.00 N ATOM 21 CA SER A 2 -16.383 12.431 9.783 1.00 0.00 C ATOM 22 C SER A 2 -17.031 11.134 9.290 1.00 0.00 C ATOM 23 O SER A 2 -17.292 10.229 10.057 1.00 0.00 O ATOM 24 CB SER A 2 -17.070 12.893 11.068 1.00 0.00 C ATOM 25 OG SER A 2 -18.128 13.785 10.742 1.00 0.00 O ATOM 0 H SER A 2 -17.371 13.418 8.169 1.00 0.00 H new ATOM 0 HA SER A 2 -15.326 12.256 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.459 12.034 11.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.351 13.387 11.721 1.00 0.00 H new ATOM 0 HG SER A 2 -18.571 14.081 11.564 1.00 0.00 H new ATOM 31 N TRP A 3 -17.293 11.041 8.014 1.00 0.00 N ATOM 32 CA TRP A 3 -17.923 9.806 7.468 1.00 0.00 C ATOM 33 C TRP A 3 -16.832 8.801 7.080 1.00 0.00 C ATOM 34 O TRP A 3 -16.817 8.287 5.979 1.00 0.00 O ATOM 35 CB TRP A 3 -18.744 10.163 6.226 1.00 0.00 C ATOM 36 CG TRP A 3 -19.855 11.087 6.610 1.00 0.00 C ATOM 37 CD1 TRP A 3 -19.815 12.435 6.506 1.00 0.00 C ATOM 38 CD2 TRP A 3 -21.165 10.758 7.155 1.00 0.00 C ATOM 39 NE1 TRP A 3 -21.017 12.955 6.951 1.00 0.00 N ATOM 40 CE2 TRP A 3 -21.882 11.960 7.363 1.00 0.00 C ATOM 41 CE3 TRP A 3 -21.795 9.544 7.487 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -23.178 11.959 7.879 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -23.100 9.540 8.007 1.00 0.00 C ATOM 44 CH2 TRP A 3 -23.790 10.745 8.203 1.00 0.00 C ATOM 0 H TRP A 3 -17.097 11.768 7.326 1.00 0.00 H new ATOM 0 HA TRP A 3 -18.572 9.365 8.225 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.106 10.635 5.479 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -19.150 9.258 5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -18.980 13.012 6.136 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -21.237 13.951 6.972 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -21.272 8.610 7.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -23.705 12.890 8.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -23.575 8.603 8.257 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -24.793 10.735 8.604 1.00 0.00 H new ATOM 55 N ALA A 4 -15.917 8.514 7.970 1.00 0.00 N ATOM 56 CA ALA A 4 -14.836 7.542 7.636 1.00 0.00 C ATOM 57 C ALA A 4 -13.995 8.086 6.476 1.00 0.00 C ATOM 58 O ALA A 4 -13.482 7.338 5.669 1.00 0.00 O ATOM 59 CB ALA A 4 -15.461 6.208 7.225 1.00 0.00 C ATOM 0 H ALA A 4 -15.872 8.909 8.909 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.200 7.396 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.672 5.497 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.059 5.818 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.097 6.358 6.353 1.00 0.00 H new ATOM 65 N LEU A 5 -13.852 9.382 6.384 1.00 0.00 N ATOM 66 CA LEU A 5 -13.048 9.966 5.274 1.00 0.00 C ATOM 67 C LEU A 5 -11.557 9.873 5.612 1.00 0.00 C ATOM 68 O LEU A 5 -10.764 9.383 4.833 1.00 0.00 O ATOM 69 CB LEU A 5 -13.431 11.436 5.087 1.00 0.00 C ATOM 70 CG LEU A 5 -14.129 11.614 3.738 1.00 0.00 C ATOM 71 CD1 LEU A 5 -14.656 13.046 3.622 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.131 11.346 2.609 1.00 0.00 C ATOM 0 H LEU A 5 -14.257 10.060 7.030 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.248 9.413 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.090 11.757 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.541 12.063 5.133 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.960 10.913 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.154 13.174 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.366 13.239 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.824 13.747 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.627 11.473 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.300 12.048 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.754 10.327 2.691 1.00 0.00 H new ATOM 84 N GLU A 6 -11.171 10.344 6.765 1.00 0.00 N ATOM 85 CA GLU A 6 -9.732 10.290 7.151 1.00 0.00 C ATOM 86 C GLU A 6 -9.236 8.843 7.116 1.00 0.00 C ATOM 87 O GLU A 6 -8.103 8.575 6.769 1.00 0.00 O ATOM 88 CB GLU A 6 -9.567 10.849 8.566 1.00 0.00 C ATOM 89 CG GLU A 6 -9.624 12.377 8.522 1.00 0.00 C ATOM 90 CD GLU A 6 -10.009 12.914 9.901 1.00 0.00 C ATOM 91 OE1 GLU A 6 -9.436 12.454 10.875 1.00 0.00 O ATOM 92 OE2 GLU A 6 -10.872 13.776 9.960 1.00 0.00 O ATOM 0 H GLU A 6 -11.790 10.765 7.458 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.149 10.885 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.354 10.464 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.617 10.522 8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.657 12.779 8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.350 12.703 7.777 1.00 0.00 H new ATOM 99 N MET A 7 -10.070 7.906 7.478 1.00 0.00 N ATOM 100 CA MET A 7 -9.635 6.480 7.469 1.00 0.00 C ATOM 101 C MET A 7 -9.670 5.937 6.038 1.00 0.00 C ATOM 102 O MET A 7 -8.690 5.427 5.534 1.00 0.00 O ATOM 103 CB MET A 7 -10.574 5.654 8.349 1.00 0.00 C ATOM 104 CG MET A 7 -10.812 6.383 9.673 1.00 0.00 C ATOM 105 SD MET A 7 -11.488 5.224 10.887 1.00 0.00 S ATOM 106 CE MET A 7 -13.188 5.215 10.267 1.00 0.00 C ATOM 0 H MET A 7 -11.031 8.066 7.779 1.00 0.00 H new ATOM 0 HA MET A 7 -8.618 6.413 7.856 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.522 5.493 7.836 1.00 0.00 H new ATOM 0 HB3 MET A 7 -10.142 4.671 8.536 1.00 0.00 H new ATOM 0 HG2 MET A 7 -9.877 6.807 10.040 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.502 7.214 9.524 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.788 4.524 10.859 1.00 0.00 H new ATOM 0 HE2 MET A 7 -13.609 6.218 10.344 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.193 4.898 9.224 1.00 0.00 H new ATOM 116 N ALA A 8 -10.794 6.036 5.381 1.00 0.00 N ATOM 117 CA ALA A 8 -10.887 5.519 3.987 1.00 0.00 C ATOM 118 C ALA A 8 -9.691 6.017 3.172 1.00 0.00 C ATOM 119 O ALA A 8 -9.192 5.330 2.307 1.00 0.00 O ATOM 120 CB ALA A 8 -12.185 6.012 3.346 1.00 0.00 C ATOM 0 H ALA A 8 -11.650 6.452 5.749 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.882 4.429 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.254 5.634 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.036 5.652 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.192 7.102 3.330 1.00 0.00 H new ATOM 126 N ASP A 9 -9.227 7.208 3.442 1.00 0.00 N ATOM 127 CA ASP A 9 -8.063 7.742 2.680 1.00 0.00 C ATOM 128 C ASP A 9 -6.963 6.679 2.617 1.00 0.00 C ATOM 129 O ASP A 9 -6.432 6.383 1.564 1.00 0.00 O ATOM 130 CB ASP A 9 -7.528 8.993 3.380 1.00 0.00 C ATOM 131 CG ASP A 9 -7.249 10.080 2.342 1.00 0.00 C ATOM 132 OD1 ASP A 9 -7.865 10.038 1.289 1.00 0.00 O ATOM 133 OD2 ASP A 9 -6.424 10.936 2.615 1.00 0.00 O ATOM 0 H ASP A 9 -9.603 7.832 4.156 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.376 7.998 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.253 9.351 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.615 8.754 3.926 1.00 0.00 H new ATOM 138 N THR A 10 -6.618 6.101 3.735 1.00 0.00 N ATOM 139 CA THR A 10 -5.553 5.058 3.739 1.00 0.00 C ATOM 140 C THR A 10 -5.821 4.049 2.620 1.00 0.00 C ATOM 141 O THR A 10 -4.949 3.732 1.835 1.00 0.00 O ATOM 142 CB THR A 10 -5.550 4.334 5.087 1.00 0.00 C ATOM 143 OG1 THR A 10 -5.688 5.285 6.134 1.00 0.00 O ATOM 144 CG2 THR A 10 -4.235 3.571 5.256 1.00 0.00 C ATOM 0 H THR A 10 -7.028 6.306 4.646 1.00 0.00 H new ATOM 0 HA THR A 10 -4.584 5.531 3.578 1.00 0.00 H new ATOM 0 HB THR A 10 -6.382 3.630 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.688 4.823 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.234 3.056 6.217 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.132 2.841 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.401 4.271 5.219 1.00 0.00 H new ATOM 152 N PHE A 11 -7.019 3.539 2.540 1.00 0.00 N ATOM 153 CA PHE A 11 -7.339 2.550 1.473 1.00 0.00 C ATOM 154 C PHE A 11 -7.117 3.189 0.101 1.00 0.00 C ATOM 155 O PHE A 11 -6.449 2.638 -0.750 1.00 0.00 O ATOM 156 CB PHE A 11 -8.802 2.115 1.600 1.00 0.00 C ATOM 157 CG PHE A 11 -9.061 1.599 2.995 1.00 0.00 C ATOM 158 CD1 PHE A 11 -8.134 0.752 3.613 1.00 0.00 C ATOM 159 CD2 PHE A 11 -10.229 1.969 3.670 1.00 0.00 C ATOM 160 CE1 PHE A 11 -8.375 0.275 4.907 1.00 0.00 C ATOM 161 CE2 PHE A 11 -10.472 1.492 4.964 1.00 0.00 C ATOM 162 CZ PHE A 11 -9.544 0.645 5.583 1.00 0.00 C ATOM 0 H PHE A 11 -7.790 3.765 3.168 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.690 1.681 1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.461 2.956 1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.026 1.339 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.232 0.466 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.944 2.623 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.659 -0.378 5.384 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.374 1.777 5.484 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.730 0.277 6.581 1.00 0.00 H new ATOM 172 N LEU A 12 -7.679 4.346 -0.123 1.00 0.00 N ATOM 173 CA LEU A 12 -7.509 5.019 -1.441 1.00 0.00 C ATOM 174 C LEU A 12 -6.028 5.309 -1.693 1.00 0.00 C ATOM 175 O LEU A 12 -5.631 5.636 -2.794 1.00 0.00 O ATOM 176 CB LEU A 12 -8.298 6.330 -1.446 1.00 0.00 C ATOM 177 CG LEU A 12 -9.778 6.029 -1.686 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.616 7.258 -1.330 1.00 0.00 C ATOM 179 CD2 LEU A 12 -9.993 5.677 -3.160 1.00 0.00 C ATOM 0 H LEU A 12 -8.250 4.855 0.552 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.881 4.365 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.170 6.848 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.919 6.993 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.083 5.189 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.670 7.042 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.464 7.511 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.312 8.099 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.048 5.462 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.687 6.517 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.398 4.800 -3.415 1.00 0.00 H new ATOM 191 N ASP A 13 -5.204 5.187 -0.688 1.00 0.00 N ATOM 192 CA ASP A 13 -3.751 5.452 -0.889 1.00 0.00 C ATOM 193 C ASP A 13 -3.192 4.405 -1.853 1.00 0.00 C ATOM 194 O ASP A 13 -2.729 4.721 -2.932 1.00 0.00 O ATOM 195 CB ASP A 13 -3.024 5.356 0.455 1.00 0.00 C ATOM 196 CG ASP A 13 -1.575 5.819 0.288 1.00 0.00 C ATOM 197 OD1 ASP A 13 -1.100 5.825 -0.835 1.00 0.00 O ATOM 198 OD2 ASP A 13 -0.965 6.160 1.289 1.00 0.00 O ATOM 0 H ASP A 13 -5.472 4.917 0.258 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.606 6.450 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.530 5.972 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.049 4.330 0.821 1.00 0.00 H new ATOM 203 N ASN A 14 -3.241 3.161 -1.471 1.00 0.00 N ATOM 204 CA ASN A 14 -2.726 2.082 -2.362 1.00 0.00 C ATOM 205 C ASN A 14 -3.893 1.205 -2.835 1.00 0.00 C ATOM 206 O ASN A 14 -3.971 0.834 -3.987 1.00 0.00 O ATOM 207 CB ASN A 14 -1.717 1.224 -1.594 1.00 0.00 C ATOM 208 CG ASN A 14 -2.345 0.732 -0.289 1.00 0.00 C ATOM 209 OD1 ASN A 14 -2.539 1.499 0.633 1.00 0.00 O ATOM 210 ND2 ASN A 14 -2.672 -0.526 -0.171 1.00 0.00 N ATOM 0 H ASN A 14 -3.616 2.842 -0.578 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.237 2.529 -3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.409 0.374 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.820 1.805 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.090 -0.865 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.509 -1.170 -0.945 1.00 0.00 H new ATOM 217 N MET A 15 -4.796 0.870 -1.950 1.00 0.00 N ATOM 218 CA MET A 15 -5.961 0.018 -2.333 1.00 0.00 C ATOM 219 C MET A 15 -5.505 -1.138 -3.227 1.00 0.00 C ATOM 220 O MET A 15 -6.280 -1.686 -3.985 1.00 0.00 O ATOM 221 CB MET A 15 -7.012 0.865 -3.064 1.00 0.00 C ATOM 222 CG MET A 15 -6.539 1.209 -4.482 1.00 0.00 C ATOM 223 SD MET A 15 -7.970 1.248 -5.591 1.00 0.00 S ATOM 224 CE MET A 15 -7.468 2.686 -6.567 1.00 0.00 C ATOM 0 H MET A 15 -4.776 1.153 -0.970 1.00 0.00 H new ATOM 0 HA MET A 15 -6.404 -0.396 -1.427 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.956 0.321 -3.112 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.200 1.782 -2.505 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.034 2.175 -4.486 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.816 0.470 -4.827 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.223 2.892 -7.326 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.366 3.552 -5.913 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.513 2.482 -7.051 1.00 0.00 H new ATOM 234 N ARG A 16 -4.264 -1.527 -3.136 1.00 0.00 N ATOM 235 CA ARG A 16 -3.783 -2.659 -3.974 1.00 0.00 C ATOM 236 C ARG A 16 -3.914 -3.949 -3.167 1.00 0.00 C ATOM 237 O ARG A 16 -3.284 -4.947 -3.455 1.00 0.00 O ATOM 238 CB ARG A 16 -2.319 -2.438 -4.361 1.00 0.00 C ATOM 239 CG ARG A 16 -2.163 -2.618 -5.872 1.00 0.00 C ATOM 240 CD ARG A 16 -0.781 -2.129 -6.308 1.00 0.00 C ATOM 241 NE ARG A 16 0.257 -2.700 -5.404 1.00 0.00 N ATOM 242 CZ ARG A 16 1.503 -2.327 -5.522 1.00 0.00 C ATOM 243 NH1 ARG A 16 1.809 -1.058 -5.503 1.00 0.00 N ATOM 244 NH2 ARG A 16 2.441 -3.223 -5.657 1.00 0.00 N ATOM 0 H ARG A 16 -3.565 -1.112 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.378 -2.725 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.000 -1.438 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.680 -3.144 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.289 -3.667 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.939 -2.061 -6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.586 -2.428 -7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.743 -1.040 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.006 -3.382 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.075 -0.358 -5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.782 -0.767 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.201 -4.214 -5.670 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.414 -2.932 -5.749 1.00 0.00 H new ATOM 258 N VAL A 17 -4.734 -3.927 -2.152 1.00 0.00 N ATOM 259 CA VAL A 17 -4.920 -5.138 -1.309 1.00 0.00 C ATOM 260 C VAL A 17 -6.219 -5.013 -0.525 1.00 0.00 C ATOM 261 O VAL A 17 -7.154 -5.765 -0.716 1.00 0.00 O ATOM 262 CB VAL A 17 -3.746 -5.266 -0.337 1.00 0.00 C ATOM 263 CG1 VAL A 17 -4.044 -6.367 0.681 1.00 0.00 C ATOM 264 CG2 VAL A 17 -2.478 -5.621 -1.117 1.00 0.00 C ATOM 0 H VAL A 17 -5.286 -3.117 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.963 -6.023 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.600 -4.320 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.207 -6.458 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.948 -6.115 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.189 -7.314 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.640 -5.713 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.624 -6.567 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.266 -4.836 -1.843 1.00 0.00 H new ATOM 274 N GLY A 18 -6.279 -4.062 0.354 1.00 0.00 N ATOM 275 CA GLY A 18 -7.513 -3.861 1.166 1.00 0.00 C ATOM 276 C GLY A 18 -8.691 -3.551 0.234 1.00 0.00 C ATOM 277 O GLY A 18 -8.731 -2.498 -0.372 1.00 0.00 O ATOM 0 H GLY A 18 -5.522 -3.407 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.725 -4.755 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.368 -3.043 1.872 1.00 0.00 H new ATOM 281 N PRO A 19 -9.615 -4.475 0.141 1.00 0.00 N ATOM 282 CA PRO A 19 -10.804 -4.320 -0.717 1.00 0.00 C ATOM 283 C PRO A 19 -11.832 -3.402 -0.047 1.00 0.00 C ATOM 284 O PRO A 19 -11.916 -3.326 1.163 1.00 0.00 O ATOM 285 CB PRO A 19 -11.344 -5.746 -0.846 1.00 0.00 C ATOM 286 CG PRO A 19 -10.795 -6.533 0.368 1.00 0.00 C ATOM 287 CD PRO A 19 -9.566 -5.755 0.877 1.00 0.00 C ATOM 0 HA PRO A 19 -10.580 -3.868 -1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.434 -5.750 -0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.020 -6.201 -1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.551 -6.618 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.519 -7.547 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.613 -5.597 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.641 -6.295 0.675 1.00 0.00 H new ATOM 294 N ARG A 20 -12.613 -2.706 -0.827 1.00 0.00 N ATOM 295 CA ARG A 20 -13.634 -1.792 -0.242 1.00 0.00 C ATOM 296 C ARG A 20 -14.672 -2.609 0.532 1.00 0.00 C ATOM 297 O ARG A 20 -14.876 -2.413 1.713 1.00 0.00 O ATOM 298 CB ARG A 20 -14.327 -1.018 -1.366 1.00 0.00 C ATOM 299 CG ARG A 20 -15.053 0.195 -0.781 1.00 0.00 C ATOM 300 CD ARG A 20 -14.287 1.471 -1.139 1.00 0.00 C ATOM 301 NE ARG A 20 -13.232 1.719 -0.117 1.00 0.00 N ATOM 302 CZ ARG A 20 -12.017 1.288 -0.315 1.00 0.00 C ATOM 303 NH1 ARG A 20 -11.388 1.592 -1.417 1.00 0.00 N ATOM 304 NH2 ARG A 20 -11.429 0.554 0.590 1.00 0.00 N ATOM 0 H ARG A 20 -12.588 -2.731 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.147 -1.092 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.593 -0.694 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.036 -1.664 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.069 0.247 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.132 0.097 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.836 1.372 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.971 2.318 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.460 2.226 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.846 2.167 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.438 1.255 -1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.920 0.317 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.479 0.217 0.435 1.00 0.00 H new ATOM 318 N THR A 21 -15.333 -3.523 -0.126 1.00 0.00 N ATOM 319 CA THR A 21 -16.358 -4.350 0.574 1.00 0.00 C ATOM 320 C THR A 21 -17.056 -5.262 -0.437 1.00 0.00 C ATOM 321 O THR A 21 -17.547 -4.816 -1.454 1.00 0.00 O ATOM 322 CB THR A 21 -17.395 -3.433 1.233 1.00 0.00 C ATOM 323 OG1 THR A 21 -18.649 -4.101 1.280 1.00 0.00 O ATOM 324 CG2 THR A 21 -17.534 -2.141 0.425 1.00 0.00 C ATOM 0 H THR A 21 -15.208 -3.733 -1.116 1.00 0.00 H new ATOM 0 HA THR A 21 -15.872 -4.957 1.338 1.00 0.00 H new ATOM 0 HB THR A 21 -17.071 -3.188 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 21 -19.314 -3.518 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 21 -18.272 -1.494 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.572 -1.629 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 21 -17.857 -2.379 -0.589 1.00 0.00 H new ATOM 332 N TYR A 22 -17.105 -6.537 -0.164 1.00 0.00 N ATOM 333 CA TYR A 22 -17.774 -7.476 -1.109 1.00 0.00 C ATOM 334 C TYR A 22 -17.604 -8.913 -0.610 1.00 0.00 C ATOM 335 O TYR A 22 -18.563 -9.547 -0.224 1.00 0.00 O ATOM 336 CB TYR A 22 -17.142 -7.342 -2.497 1.00 0.00 C ATOM 337 CG TYR A 22 -18.227 -7.360 -3.547 1.00 0.00 C ATOM 338 CD1 TYR A 22 -19.233 -6.385 -3.531 1.00 0.00 C ATOM 339 CD2 TYR A 22 -18.229 -8.349 -4.538 1.00 0.00 C ATOM 340 CE1 TYR A 22 -20.239 -6.401 -4.505 1.00 0.00 C ATOM 341 CE2 TYR A 22 -19.235 -8.365 -5.512 1.00 0.00 C ATOM 342 CZ TYR A 22 -20.240 -7.390 -5.495 1.00 0.00 C ATOM 343 OH TYR A 22 -21.231 -7.406 -6.454 1.00 0.00 O ATOM 0 H TYR A 22 -16.711 -6.969 0.672 1.00 0.00 H new ATOM 0 HA TYR A 22 -18.835 -7.234 -1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -16.574 -6.414 -2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -16.440 -8.158 -2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -19.233 -5.621 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -17.454 -9.101 -4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -21.015 -5.650 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -19.236 -9.129 -6.276 1.00 0.00 H new ATOM 0 HH TYR A 22 -21.082 -8.157 -7.066 1.00 0.00 H new ATOM 353 N ALA A 23 -16.386 -9.409 -0.625 1.00 0.00 N ATOM 354 CA ALA A 23 -16.081 -10.809 -0.166 1.00 0.00 C ATOM 355 C ALA A 23 -17.273 -11.451 0.534 1.00 0.00 C ATOM 356 O ALA A 23 -17.804 -12.454 0.102 1.00 0.00 O ATOM 357 CB ALA A 23 -14.894 -10.773 0.797 1.00 0.00 C ATOM 0 H ALA A 23 -15.569 -8.889 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 23 -15.847 -11.407 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.668 -11.785 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.025 -10.357 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.142 -10.151 1.657 1.00 0.00 H new ATOM 363 N ASP A 24 -17.685 -10.876 1.611 1.00 0.00 N ATOM 364 CA ASP A 24 -18.843 -11.434 2.367 1.00 0.00 C ATOM 365 C ASP A 24 -20.068 -11.510 1.451 1.00 0.00 C ATOM 366 O ASP A 24 -20.523 -12.579 1.096 1.00 0.00 O ATOM 367 CB ASP A 24 -19.156 -10.530 3.562 1.00 0.00 C ATOM 368 CG ASP A 24 -18.501 -11.102 4.820 1.00 0.00 C ATOM 369 OD1 ASP A 24 -18.888 -12.186 5.225 1.00 0.00 O ATOM 370 OD2 ASP A 24 -17.624 -10.447 5.358 1.00 0.00 O ATOM 0 H ASP A 24 -17.272 -10.034 2.013 1.00 0.00 H new ATOM 0 HA ASP A 24 -18.594 -12.434 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -18.788 -9.521 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -20.234 -10.455 3.702 1.00 0.00 H new ATOM 375 N VAL A 25 -20.608 -10.385 1.072 1.00 0.00 N ATOM 376 CA VAL A 25 -21.806 -10.391 0.185 1.00 0.00 C ATOM 377 C VAL A 25 -21.608 -11.394 -0.955 1.00 0.00 C ATOM 378 O VAL A 25 -22.441 -12.244 -1.198 1.00 0.00 O ATOM 379 CB VAL A 25 -22.008 -8.992 -0.401 1.00 0.00 C ATOM 380 CG1 VAL A 25 -23.385 -8.907 -1.060 1.00 0.00 C ATOM 381 CG2 VAL A 25 -21.914 -7.952 0.719 1.00 0.00 C ATOM 0 H VAL A 25 -20.271 -9.460 1.339 1.00 0.00 H new ATOM 0 HA VAL A 25 -22.682 -10.679 0.767 1.00 0.00 H new ATOM 0 HB VAL A 25 -21.237 -8.796 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.528 -7.910 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -23.453 -9.647 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -24.157 -9.103 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -22.058 -6.955 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -22.685 -8.149 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.932 -8.011 1.189 1.00 0.00 H new ATOM 391 N ARG A 26 -20.516 -11.295 -1.663 1.00 0.00 N ATOM 392 CA ARG A 26 -20.269 -12.234 -2.794 1.00 0.00 C ATOM 393 C ARG A 26 -20.547 -13.674 -2.351 1.00 0.00 C ATOM 394 O ARG A 26 -21.283 -14.397 -2.993 1.00 0.00 O ATOM 395 CB ARG A 26 -18.812 -12.114 -3.246 1.00 0.00 C ATOM 396 CG ARG A 26 -18.724 -12.350 -4.755 1.00 0.00 C ATOM 397 CD ARG A 26 -17.292 -12.096 -5.229 1.00 0.00 C ATOM 398 NE ARG A 26 -16.989 -12.977 -6.392 1.00 0.00 N ATOM 399 CZ ARG A 26 -15.792 -13.473 -6.542 1.00 0.00 C ATOM 400 NH1 ARG A 26 -15.578 -14.740 -6.316 1.00 0.00 N ATOM 401 NH2 ARG A 26 -14.808 -12.701 -6.915 1.00 0.00 N ATOM 0 H ARG A 26 -19.783 -10.603 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 26 -20.933 -11.980 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -18.424 -11.126 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -18.195 -12.841 -2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -19.021 -13.372 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -19.414 -11.688 -5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -17.171 -11.050 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.590 -12.291 -4.419 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.719 -13.192 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.347 -15.343 -6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.642 -15.128 -6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.975 -11.710 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.872 -13.089 -7.032 1.00 0.00 H new ATOM 415 N ASP A 27 -19.963 -14.099 -1.264 1.00 0.00 N ATOM 416 CA ASP A 27 -20.196 -15.494 -0.793 1.00 0.00 C ATOM 417 C ASP A 27 -21.686 -15.707 -0.530 1.00 0.00 C ATOM 418 O ASP A 27 -22.219 -16.771 -0.767 1.00 0.00 O ATOM 419 CB ASP A 27 -19.408 -15.739 0.496 1.00 0.00 C ATOM 420 CG ASP A 27 -19.790 -17.101 1.078 1.00 0.00 C ATOM 421 OD1 ASP A 27 -20.844 -17.188 1.686 1.00 0.00 O ATOM 422 OD2 ASP A 27 -19.023 -18.033 0.905 1.00 0.00 O ATOM 0 H ASP A 27 -19.336 -13.542 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.862 -16.193 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.338 -15.706 0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.619 -14.951 1.219 1.00 0.00 H new ATOM 427 N GLU A 28 -22.366 -14.705 -0.045 1.00 0.00 N ATOM 428 CA GLU A 28 -23.823 -14.863 0.224 1.00 0.00 C ATOM 429 C GLU A 28 -24.538 -15.208 -1.080 1.00 0.00 C ATOM 430 O GLU A 28 -25.526 -15.920 -1.085 1.00 0.00 O ATOM 431 CB GLU A 28 -24.390 -13.562 0.793 1.00 0.00 C ATOM 432 CG GLU A 28 -23.700 -13.241 2.121 1.00 0.00 C ATOM 433 CD GLU A 28 -24.664 -13.507 3.281 1.00 0.00 C ATOM 434 OE1 GLU A 28 -25.820 -13.790 3.012 1.00 0.00 O ATOM 435 OE2 GLU A 28 -24.229 -13.423 4.416 1.00 0.00 O ATOM 0 H GLU A 28 -21.978 -13.788 0.176 1.00 0.00 H new ATOM 0 HA GLU A 28 -23.975 -15.663 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -24.238 -12.747 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -25.465 -13.657 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.804 -13.851 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -23.380 -12.199 2.133 1.00 0.00 H new ATOM 442 N ILE A 29 -24.049 -14.720 -2.192 1.00 0.00 N ATOM 443 CA ILE A 29 -24.718 -15.038 -3.491 1.00 0.00 C ATOM 444 C ILE A 29 -24.455 -16.493 -3.905 1.00 0.00 C ATOM 445 O ILE A 29 -24.702 -16.880 -5.031 1.00 0.00 O ATOM 446 CB ILE A 29 -24.214 -14.095 -4.586 1.00 0.00 C ATOM 447 CG1 ILE A 29 -23.872 -12.729 -3.978 1.00 0.00 C ATOM 448 CG2 ILE A 29 -25.306 -13.923 -5.645 1.00 0.00 C ATOM 449 CD1 ILE A 29 -23.695 -11.699 -5.095 1.00 0.00 C ATOM 0 H ILE A 29 -23.225 -14.122 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 29 -25.792 -14.903 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 29 -23.320 -14.517 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -24.665 -12.413 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -22.958 -12.801 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -24.952 -13.252 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -25.547 -14.893 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -26.198 -13.502 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -23.452 -10.729 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -22.887 -12.014 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -24.620 -11.619 -5.666 1.00 0.00 H new ATOM 461 N ASN A 30 -23.979 -17.303 -3.006 1.00 0.00 N ATOM 462 CA ASN A 30 -23.723 -18.731 -3.330 1.00 0.00 C ATOM 463 C ASN A 30 -24.864 -19.581 -2.763 1.00 0.00 C ATOM 464 O ASN A 30 -25.597 -20.218 -3.491 1.00 0.00 O ATOM 465 CB ASN A 30 -22.395 -19.167 -2.704 1.00 0.00 C ATOM 466 CG ASN A 30 -22.291 -20.694 -2.729 1.00 0.00 C ATOM 467 OD1 ASN A 30 -23.048 -21.354 -3.413 1.00 0.00 O ATOM 468 ND2 ASN A 30 -21.380 -21.286 -2.007 1.00 0.00 N ATOM 0 H ASN A 30 -23.753 -17.034 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 30 -23.669 -18.862 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -21.562 -18.727 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -22.329 -18.805 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.303 -22.303 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -20.745 -20.732 -1.433 1.00 0.00 H new ATOM 475 N LYS A 31 -25.020 -19.595 -1.465 1.00 0.00 N ATOM 476 CA LYS A 31 -26.112 -20.402 -0.854 1.00 0.00 C ATOM 477 C LYS A 31 -27.445 -19.650 -0.962 1.00 0.00 C ATOM 478 O LYS A 31 -28.501 -20.249 -0.933 1.00 0.00 O ATOM 479 CB LYS A 31 -25.788 -20.663 0.618 1.00 0.00 C ATOM 480 CG LYS A 31 -24.643 -21.673 0.719 1.00 0.00 C ATOM 481 CD LYS A 31 -24.232 -21.838 2.184 1.00 0.00 C ATOM 482 CE LYS A 31 -23.041 -22.793 2.276 1.00 0.00 C ATOM 483 NZ LYS A 31 -23.534 -24.199 2.328 1.00 0.00 N ATOM 0 H LYS A 31 -24.437 -19.082 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 31 -26.196 -21.351 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -25.509 -19.731 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -26.670 -21.044 1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -24.954 -22.633 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -23.792 -21.334 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -23.969 -20.870 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -25.068 -22.226 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.386 -22.658 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.450 -22.570 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -22.724 -24.849 2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.143 -24.323 3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -24.080 -24.408 1.467 1.00 0.00 H new ATOM 497 N ARG A 32 -27.416 -18.347 -1.085 1.00 0.00 N ATOM 498 CA ARG A 32 -28.698 -17.590 -1.189 1.00 0.00 C ATOM 499 C ARG A 32 -29.113 -17.477 -2.659 1.00 0.00 C ATOM 500 O ARG A 32 -29.849 -16.586 -3.038 1.00 0.00 O ATOM 501 CB ARG A 32 -28.524 -16.188 -0.601 1.00 0.00 C ATOM 502 CG ARG A 32 -28.511 -16.274 0.926 1.00 0.00 C ATOM 503 CD ARG A 32 -29.890 -15.894 1.470 1.00 0.00 C ATOM 504 NE ARG A 32 -29.902 -14.449 1.831 1.00 0.00 N ATOM 505 CZ ARG A 32 -30.880 -13.683 1.429 1.00 0.00 C ATOM 506 NH1 ARG A 32 -30.654 -12.746 0.549 1.00 0.00 N ATOM 507 NH2 ARG A 32 -32.082 -13.856 1.906 1.00 0.00 N ATOM 0 H ARG A 32 -26.569 -17.780 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 32 -29.470 -18.121 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -27.595 -15.745 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -29.335 -15.540 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -28.249 -17.284 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -27.751 -15.606 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -30.656 -16.099 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -30.127 -16.500 2.344 1.00 0.00 H new ATOM 0 HE ARG A 32 -29.146 -14.058 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -29.714 -12.613 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -31.417 -12.147 0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -32.257 -14.589 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -32.846 -13.258 1.592 1.00 0.00 H new ATOM 521 N GLY A 33 -28.653 -18.373 -3.488 1.00 0.00 N ATOM 522 CA GLY A 33 -29.024 -18.317 -4.931 1.00 0.00 C ATOM 523 C GLY A 33 -28.947 -16.873 -5.431 1.00 0.00 C ATOM 524 O GLY A 33 -28.233 -16.055 -4.885 1.00 0.00 O ATOM 0 H GLY A 33 -28.036 -19.142 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -28.353 -18.949 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -30.032 -18.707 -5.072 1.00 0.00 H new ATOM 528 N ARG A 34 -29.676 -16.553 -6.465 1.00 0.00 N ATOM 529 CA ARG A 34 -29.646 -15.163 -7.001 1.00 0.00 C ATOM 530 C ARG A 34 -28.285 -14.895 -7.647 1.00 0.00 C ATOM 531 O ARG A 34 -27.477 -14.227 -7.024 1.00 0.00 O ATOM 532 CB ARG A 34 -29.873 -14.171 -5.859 1.00 0.00 C ATOM 533 CG ARG A 34 -31.080 -13.290 -6.181 1.00 0.00 C ATOM 534 CD ARG A 34 -32.367 -14.088 -5.958 1.00 0.00 C ATOM 535 NE ARG A 34 -33.291 -13.307 -5.087 1.00 0.00 N ATOM 536 CZ ARG A 34 -33.856 -13.880 -4.061 1.00 0.00 C ATOM 537 NH1 ARG A 34 -33.355 -13.717 -2.867 1.00 0.00 N ATOM 538 NH2 ARG A 34 -34.922 -14.613 -4.228 1.00 0.00 N ATOM 539 OXT ARG A 34 -28.075 -15.362 -8.755 1.00 0.00 O ATOM 0 H ARG A 34 -30.292 -17.196 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 34 -30.432 -15.044 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -30.040 -14.707 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -28.986 -13.553 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -31.075 -12.403 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -31.027 -12.945 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -32.845 -14.302 -6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -32.137 -15.047 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 34 -33.481 -12.326 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -32.523 -13.142 -2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -33.796 -14.165 -2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -35.314 -14.738 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -35.364 -15.061 -3.425 1.00 0.00 H new TER 553 ARG A 34