USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=5 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.511 (180deg=-2.45!) USER MOD Single : A 2 SER OG : rot -16:sc= 0.696 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 14 ASN : amide:sc= -2.33 K(o=-2.3,f=-3.4) 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= -3.05 K(o=-3,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.121 3.459 0.713 1.00 0.00 N ATOM 2 CA MET A 1 -20.048 4.085 1.536 1.00 0.00 C ATOM 3 C MET A 1 -20.275 3.751 3.011 1.00 0.00 C ATOM 4 O MET A 1 -21.337 3.305 3.399 1.00 0.00 O ATOM 5 CB MET A 1 -20.078 5.604 1.347 1.00 0.00 C ATOM 6 CG MET A 1 -21.518 6.106 1.474 1.00 0.00 C ATOM 7 SD MET A 1 -21.861 6.525 3.200 1.00 0.00 S ATOM 8 CE MET A 1 -23.659 6.671 3.047 1.00 0.00 C ATOM 0 H1 MET A 1 -21.377 4.097 -0.067 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.779 2.557 0.324 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.957 3.285 1.307 1.00 0.00 H new ATOM 0 HA MET A 1 -19.079 3.699 1.221 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.446 6.086 2.093 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.675 5.867 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.667 6.980 0.840 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.213 5.340 1.130 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.087 6.930 4.016 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.901 7.450 2.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.074 5.721 2.709 1.00 0.00 H new ATOM 20 N SER A 2 -19.286 3.960 3.837 1.00 0.00 N ATOM 21 CA SER A 2 -19.447 3.651 5.286 1.00 0.00 C ATOM 22 C SER A 2 -18.401 4.426 6.092 1.00 0.00 C ATOM 23 O SER A 2 -17.566 3.844 6.755 1.00 0.00 O ATOM 24 CB SER A 2 -19.258 2.151 5.509 1.00 0.00 C ATOM 25 OG SER A 2 -20.216 1.439 4.738 1.00 0.00 O ATOM 0 H SER A 2 -18.374 4.331 3.571 1.00 0.00 H new ATOM 0 HA SER A 2 -20.445 3.943 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.249 1.853 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.373 1.911 6.566 1.00 0.00 H new ATOM 0 HG SER A 2 -20.929 2.050 4.456 1.00 0.00 H new ATOM 31 N TRP A 3 -18.454 5.734 6.042 1.00 0.00 N ATOM 32 CA TRP A 3 -17.473 6.570 6.805 1.00 0.00 C ATOM 33 C TRP A 3 -16.096 5.885 6.851 1.00 0.00 C ATOM 34 O TRP A 3 -15.569 5.621 7.913 1.00 0.00 O ATOM 35 CB TRP A 3 -17.984 6.763 8.234 1.00 0.00 C ATOM 36 CG TRP A 3 -17.397 8.014 8.809 1.00 0.00 C ATOM 37 CD1 TRP A 3 -16.182 8.105 9.398 1.00 0.00 C ATOM 38 CD2 TRP A 3 -17.976 9.351 8.860 1.00 0.00 C ATOM 39 NE1 TRP A 3 -15.978 9.411 9.805 1.00 0.00 N ATOM 40 CE2 TRP A 3 -17.056 10.217 9.498 1.00 0.00 C ATOM 41 CE3 TRP A 3 -19.199 9.890 8.420 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -17.338 11.570 9.690 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -19.486 11.251 8.613 1.00 0.00 C ATOM 44 CH2 TRP A 3 -18.558 12.089 9.247 1.00 0.00 C ATOM 0 H TRP A 3 -19.139 6.263 5.502 1.00 0.00 H new ATOM 0 HA TRP A 3 -17.370 7.533 6.306 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -19.072 6.824 8.237 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.711 5.905 8.848 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -15.485 7.290 9.529 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -15.134 9.739 10.275 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -19.921 9.253 7.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -16.619 12.212 10.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -20.427 11.655 8.271 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -18.785 13.135 9.393 1.00 0.00 H new ATOM 55 N ALA A 4 -15.504 5.587 5.718 1.00 0.00 N ATOM 56 CA ALA A 4 -14.172 4.920 5.732 1.00 0.00 C ATOM 57 C ALA A 4 -13.072 5.963 5.534 1.00 0.00 C ATOM 58 O ALA A 4 -12.036 5.680 4.964 1.00 0.00 O ATOM 59 CB ALA A 4 -14.106 3.893 4.600 1.00 0.00 C ATOM 0 H ALA A 4 -15.887 5.777 4.792 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.029 4.420 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.132 3.404 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.888 3.147 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.251 4.396 3.644 1.00 0.00 H new ATOM 65 N LEU A 5 -13.280 7.167 5.996 1.00 0.00 N ATOM 66 CA LEU A 5 -12.231 8.208 5.821 1.00 0.00 C ATOM 67 C LEU A 5 -10.885 7.645 6.282 1.00 0.00 C ATOM 68 O LEU A 5 -9.838 8.058 5.820 1.00 0.00 O ATOM 69 CB LEU A 5 -12.618 9.489 6.597 1.00 0.00 C ATOM 70 CG LEU A 5 -12.096 9.491 8.047 1.00 0.00 C ATOM 71 CD1 LEU A 5 -12.435 8.176 8.750 1.00 0.00 C ATOM 72 CD2 LEU A 5 -10.579 9.712 8.061 1.00 0.00 C ATOM 0 H LEU A 5 -14.123 7.471 6.482 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.145 8.481 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.223 10.359 6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.703 9.588 6.607 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.583 10.305 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.056 8.202 9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.516 8.041 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.974 7.347 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.221 9.712 9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.090 8.912 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.347 10.670 7.596 1.00 0.00 H new ATOM 84 N GLU A 6 -10.900 6.683 7.167 1.00 0.00 N ATOM 85 CA GLU A 6 -9.617 6.083 7.627 1.00 0.00 C ATOM 86 C GLU A 6 -8.977 5.374 6.440 1.00 0.00 C ATOM 87 O GLU A 6 -7.831 5.600 6.107 1.00 0.00 O ATOM 88 CB GLU A 6 -9.888 5.075 8.745 1.00 0.00 C ATOM 89 CG GLU A 6 -8.612 4.863 9.564 1.00 0.00 C ATOM 90 CD GLU A 6 -7.648 3.966 8.787 1.00 0.00 C ATOM 91 OE1 GLU A 6 -6.921 4.487 7.958 1.00 0.00 O ATOM 92 OE2 GLU A 6 -7.653 2.770 9.035 1.00 0.00 O ATOM 0 H GLU A 6 -11.742 6.290 7.588 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.953 6.858 8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.690 5.437 9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.222 4.128 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.141 5.822 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.855 4.407 10.524 1.00 0.00 H new ATOM 99 N MET A 7 -9.726 4.532 5.784 1.00 0.00 N ATOM 100 CA MET A 7 -9.181 3.824 4.600 1.00 0.00 C ATOM 101 C MET A 7 -8.950 4.853 3.496 1.00 0.00 C ATOM 102 O MET A 7 -7.845 5.224 3.210 1.00 0.00 O ATOM 103 CB MET A 7 -10.192 2.777 4.121 1.00 0.00 C ATOM 104 CG MET A 7 -9.532 1.397 4.092 1.00 0.00 C ATOM 105 SD MET A 7 -10.769 0.151 3.650 1.00 0.00 S ATOM 106 CE MET A 7 -9.848 -1.298 4.224 1.00 0.00 C ATOM 0 H MET A 7 -10.692 4.306 6.019 1.00 0.00 H new ATOM 0 HA MET A 7 -8.246 3.324 4.854 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.057 2.763 4.784 1.00 0.00 H new ATOM 0 HB3 MET A 7 -10.556 3.037 3.127 1.00 0.00 H new ATOM 0 HG2 MET A 7 -8.715 1.387 3.370 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.100 1.167 5.066 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.437 -2.198 4.045 1.00 0.00 H new ATOM 0 HE2 MET A 7 -8.905 -1.368 3.682 1.00 0.00 H new ATOM 0 HE3 MET A 7 -9.647 -1.202 5.291 1.00 0.00 H new ATOM 116 N ALA A 8 -9.998 5.339 2.910 1.00 0.00 N ATOM 117 CA ALA A 8 -9.875 6.362 1.824 1.00 0.00 C ATOM 118 C ALA A 8 -8.745 7.330 2.084 1.00 0.00 C ATOM 119 O ALA A 8 -8.254 7.887 1.132 1.00 0.00 O ATOM 120 CB ALA A 8 -11.188 7.134 1.703 1.00 0.00 C ATOM 0 H ALA A 8 -10.956 5.072 3.135 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.655 5.836 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.100 7.879 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.996 6.443 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.406 7.631 2.648 1.00 0.00 H new ATOM 126 N ASP A 9 -8.311 7.558 3.314 1.00 0.00 N ATOM 127 CA ASP A 9 -7.220 8.541 3.554 1.00 0.00 C ATOM 128 C ASP A 9 -6.251 8.539 2.379 1.00 0.00 C ATOM 129 O ASP A 9 -6.568 7.970 1.371 1.00 0.00 O ATOM 130 CB ASP A 9 -6.474 8.189 4.843 1.00 0.00 C ATOM 131 CG ASP A 9 -6.165 9.471 5.617 1.00 0.00 C ATOM 132 OD1 ASP A 9 -6.836 10.460 5.375 1.00 0.00 O ATOM 133 OD2 ASP A 9 -5.262 9.442 6.436 1.00 0.00 O ATOM 0 H ASP A 9 -8.673 7.101 4.151 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.655 9.535 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.078 7.519 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.550 7.661 4.609 1.00 0.00 H new ATOM 138 N THR A 10 -5.103 9.169 2.495 1.00 0.00 N ATOM 139 CA THR A 10 -4.125 9.268 1.336 1.00 0.00 C ATOM 140 C THR A 10 -4.305 8.042 0.450 1.00 0.00 C ATOM 141 O THR A 10 -3.571 7.077 0.535 1.00 0.00 O ATOM 142 CB THR A 10 -2.698 9.275 1.890 1.00 0.00 C ATOM 143 OG1 THR A 10 -2.682 9.942 3.145 1.00 0.00 O ATOM 144 CG2 THR A 10 -1.774 10.002 0.912 1.00 0.00 C ATOM 0 H THR A 10 -4.790 9.628 3.350 1.00 0.00 H new ATOM 0 HA THR A 10 -4.304 10.179 0.765 1.00 0.00 H new ATOM 0 HB THR A 10 -2.352 8.249 2.019 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.769 9.946 3.502 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.758 10.007 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.787 9.490 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.117 11.028 0.781 1.00 0.00 H new ATOM 152 N PHE A 11 -5.383 8.056 -0.326 1.00 0.00 N ATOM 153 CA PHE A 11 -5.770 6.875 -1.146 1.00 0.00 C ATOM 154 C PHE A 11 -5.453 5.650 -0.317 1.00 0.00 C ATOM 155 O PHE A 11 -5.067 4.606 -0.804 1.00 0.00 O ATOM 156 CB PHE A 11 -5.047 6.830 -2.470 1.00 0.00 C ATOM 157 CG PHE A 11 -3.755 7.607 -2.385 1.00 0.00 C ATOM 158 CD1 PHE A 11 -3.784 9.005 -2.298 1.00 0.00 C ATOM 159 CD2 PHE A 11 -2.530 6.931 -2.393 1.00 0.00 C ATOM 160 CE1 PHE A 11 -2.586 9.725 -2.219 1.00 0.00 C ATOM 161 CE2 PHE A 11 -1.334 7.651 -2.313 1.00 0.00 C ATOM 162 CZ PHE A 11 -1.360 9.048 -2.226 1.00 0.00 C ATOM 0 H PHE A 11 -6.010 8.856 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.830 6.927 -1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.840 5.796 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.680 7.248 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.730 9.527 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.508 5.853 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.607 10.803 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.389 7.129 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.436 9.603 -2.164 1.00 0.00 H new ATOM 172 N LEU A 12 -5.619 5.814 0.959 1.00 0.00 N ATOM 173 CA LEU A 12 -5.349 4.736 1.910 1.00 0.00 C ATOM 174 C LEU A 12 -6.470 3.731 1.750 1.00 0.00 C ATOM 175 O LEU A 12 -6.358 2.585 2.128 1.00 0.00 O ATOM 176 CB LEU A 12 -5.320 5.333 3.329 1.00 0.00 C ATOM 177 CG LEU A 12 -3.923 5.156 3.928 1.00 0.00 C ATOM 178 CD1 LEU A 12 -3.228 6.516 4.019 1.00 0.00 C ATOM 179 CD2 LEU A 12 -4.043 4.554 5.330 1.00 0.00 C ATOM 0 H LEU A 12 -5.941 6.683 1.385 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.390 4.248 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.582 6.391 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.062 4.841 3.958 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.339 4.491 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.233 6.388 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.142 6.948 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.813 7.182 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.049 4.427 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.628 5.221 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.538 3.585 5.269 1.00 0.00 H new ATOM 191 N ASP A 13 -7.571 4.161 1.182 1.00 0.00 N ATOM 192 CA ASP A 13 -8.706 3.187 1.005 1.00 0.00 C ATOM 193 C ASP A 13 -8.198 1.951 0.254 1.00 0.00 C ATOM 194 O ASP A 13 -8.215 0.850 0.766 1.00 0.00 O ATOM 195 CB ASP A 13 -9.861 3.823 0.209 1.00 0.00 C ATOM 196 CG ASP A 13 -10.655 2.754 -0.554 1.00 0.00 C ATOM 197 OD1 ASP A 13 -11.073 1.795 0.072 1.00 0.00 O ATOM 198 OD2 ASP A 13 -10.830 2.917 -1.750 1.00 0.00 O ATOM 0 H ASP A 13 -7.736 5.109 0.842 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.077 2.906 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.524 4.358 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.464 4.556 -0.493 1.00 0.00 H new ATOM 203 N ASN A 14 -7.764 2.128 -0.962 1.00 0.00 N ATOM 204 CA ASN A 14 -7.275 0.968 -1.753 1.00 0.00 C ATOM 205 C ASN A 14 -6.160 0.256 -0.991 1.00 0.00 C ATOM 206 O ASN A 14 -6.154 -0.953 -0.889 1.00 0.00 O ATOM 207 CB ASN A 14 -6.737 1.456 -3.101 1.00 0.00 C ATOM 208 CG ASN A 14 -6.290 0.256 -3.937 1.00 0.00 C ATOM 209 OD1 ASN A 14 -6.984 -0.739 -4.012 1.00 0.00 O ATOM 210 ND2 ASN A 14 -5.152 0.305 -4.574 1.00 0.00 N ATOM 0 H ASN A 14 -7.727 3.027 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.100 0.275 -1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.508 2.015 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.900 2.136 -2.946 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.846 -0.491 -5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.568 1.139 -4.512 1.00 0.00 H new ATOM 217 N MET A 15 -5.224 1.008 -0.459 1.00 0.00 N ATOM 218 CA MET A 15 -4.081 0.396 0.305 1.00 0.00 C ATOM 219 C MET A 15 -3.784 -1.010 -0.225 1.00 0.00 C ATOM 220 O MET A 15 -3.649 -1.954 0.530 1.00 0.00 O ATOM 221 CB MET A 15 -4.444 0.312 1.789 1.00 0.00 C ATOM 222 CG MET A 15 -3.215 -0.119 2.591 1.00 0.00 C ATOM 223 SD MET A 15 -3.739 -0.732 4.212 1.00 0.00 S ATOM 224 CE MET A 15 -2.556 0.213 5.204 1.00 0.00 C ATOM 0 H MET A 15 -5.200 2.026 -0.520 1.00 0.00 H new ATOM 0 HA MET A 15 -3.196 1.020 0.177 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.801 1.279 2.142 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.256 -0.401 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.671 -0.896 2.054 1.00 0.00 H new ATOM 0 HG3 MET A 15 -2.532 0.722 2.711 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.702 -0.015 6.260 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.541 -0.055 4.912 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.712 1.279 5.038 1.00 0.00 H new ATOM 234 N ARG A 16 -3.704 -1.161 -1.517 1.00 0.00 N ATOM 235 CA ARG A 16 -3.439 -2.505 -2.101 1.00 0.00 C ATOM 236 C ARG A 16 -1.935 -2.774 -2.144 1.00 0.00 C ATOM 237 O ARG A 16 -1.375 -3.046 -3.188 1.00 0.00 O ATOM 238 CB ARG A 16 -4.007 -2.561 -3.518 1.00 0.00 C ATOM 239 CG ARG A 16 -4.394 -4.001 -3.858 1.00 0.00 C ATOM 240 CD ARG A 16 -5.721 -4.007 -4.619 1.00 0.00 C ATOM 241 NE ARG A 16 -5.465 -3.759 -6.067 1.00 0.00 N ATOM 242 CZ ARG A 16 -5.975 -2.708 -6.647 1.00 0.00 C ATOM 243 NH1 ARG A 16 -5.213 -1.687 -6.934 1.00 0.00 N ATOM 244 NH2 ARG A 16 -7.247 -2.673 -6.939 1.00 0.00 N ATOM 0 H ARG A 16 -3.811 -0.408 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.917 -3.264 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.878 -1.911 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.269 -2.194 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.614 -4.465 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.483 -4.590 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.224 -4.965 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.385 -3.240 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.892 -4.410 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.219 -1.712 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.611 -0.865 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.844 -3.469 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.644 -1.850 -7.393 1.00 0.00 H new ATOM 258 N VAL A 17 -1.279 -2.711 -1.021 1.00 0.00 N ATOM 259 CA VAL A 17 0.187 -2.978 -1.002 1.00 0.00 C ATOM 260 C VAL A 17 0.940 -1.776 -1.574 1.00 0.00 C ATOM 261 O VAL A 17 1.854 -1.922 -2.362 1.00 0.00 O ATOM 262 CB VAL A 17 0.482 -4.217 -1.849 1.00 0.00 C ATOM 263 CG1 VAL A 17 1.822 -4.820 -1.426 1.00 0.00 C ATOM 264 CG2 VAL A 17 -0.629 -5.248 -1.641 1.00 0.00 C ATOM 0 H VAL A 17 -1.692 -2.487 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 17 0.513 -3.147 0.024 1.00 0.00 H new ATOM 0 HB VAL A 17 0.529 -3.936 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.031 -5.703 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.614 -4.085 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.778 -5.103 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.422 -6.133 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.673 -5.528 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.585 -4.819 -1.943 1.00 0.00 H new ATOM 274 N GLY A 18 0.570 -0.588 -1.181 1.00 0.00 N ATOM 275 CA GLY A 18 1.273 0.619 -1.702 1.00 0.00 C ATOM 276 C GLY A 18 0.370 1.356 -2.694 1.00 0.00 C ATOM 277 O GLY A 18 -0.764 0.971 -2.904 1.00 0.00 O ATOM 0 H GLY A 18 -0.187 -0.401 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.539 1.280 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.203 0.327 -2.190 1.00 0.00 H new ATOM 281 N PRO A 19 0.906 2.398 -3.277 1.00 0.00 N ATOM 282 CA PRO A 19 0.181 3.221 -4.259 1.00 0.00 C ATOM 283 C PRO A 19 0.147 2.519 -5.619 1.00 0.00 C ATOM 284 O PRO A 19 -0.560 2.923 -6.520 1.00 0.00 O ATOM 285 CB PRO A 19 1.005 4.509 -4.328 1.00 0.00 C ATOM 286 CG PRO A 19 2.426 4.145 -3.835 1.00 0.00 C ATOM 287 CD PRO A 19 2.288 2.850 -3.011 1.00 0.00 C ATOM 0 HA PRO A 19 -0.858 3.402 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.035 4.897 -5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.564 5.286 -3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.102 3.998 -4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.843 4.948 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.018 2.102 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.450 3.034 -1.949 1.00 0.00 H new ATOM 294 N ARG A 20 0.907 1.469 -5.772 1.00 0.00 N ATOM 295 CA ARG A 20 0.917 0.743 -7.071 1.00 0.00 C ATOM 296 C ARG A 20 1.191 -0.745 -6.815 1.00 0.00 C ATOM 297 O ARG A 20 0.833 -1.278 -5.784 1.00 0.00 O ATOM 298 CB ARG A 20 2.011 1.326 -7.969 1.00 0.00 C ATOM 299 CG ARG A 20 1.439 1.596 -9.362 1.00 0.00 C ATOM 300 CD ARG A 20 1.289 3.104 -9.569 1.00 0.00 C ATOM 301 NE ARG A 20 1.096 3.392 -11.019 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.001 3.966 -11.431 1.00 0.00 C ATOM 303 NH1 ARG A 20 -1.149 3.634 -10.908 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.051 4.873 -12.369 1.00 0.00 N ATOM 0 H ARG A 20 1.520 1.084 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.049 0.853 -7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.396 2.250 -7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.849 0.632 -8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.096 1.177 -10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.472 1.105 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.439 3.477 -8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.174 3.622 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 20 1.822 3.140 -11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.190 2.925 -10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.006 4.084 -11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.948 5.132 -12.779 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.806 5.322 -12.692 1.00 0.00 H new ATOM 318 N THR A 21 1.818 -1.426 -7.742 1.00 0.00 N ATOM 319 CA THR A 21 2.099 -2.876 -7.534 1.00 0.00 C ATOM 320 C THR A 21 3.541 -3.204 -7.944 1.00 0.00 C ATOM 321 O THR A 21 4.112 -4.180 -7.499 1.00 0.00 O ATOM 322 CB THR A 21 1.128 -3.704 -8.380 1.00 0.00 C ATOM 323 OG1 THR A 21 0.053 -2.877 -8.805 1.00 0.00 O ATOM 324 CG2 THR A 21 0.583 -4.865 -7.548 1.00 0.00 C ATOM 0 H THR A 21 2.145 -1.041 -8.628 1.00 0.00 H new ATOM 0 HA THR A 21 1.970 -3.115 -6.478 1.00 0.00 H new ATOM 0 HB THR A 21 1.650 -4.100 -9.251 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.570 -3.404 -9.348 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.108 -5.453 -8.152 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.408 -5.498 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.059 -4.473 -6.676 1.00 0.00 H new ATOM 332 N TYR A 22 4.134 -2.407 -8.791 1.00 0.00 N ATOM 333 CA TYR A 22 5.524 -2.676 -9.230 1.00 0.00 C ATOM 334 C TYR A 22 6.477 -1.749 -8.505 1.00 0.00 C ATOM 335 O TYR A 22 7.538 -2.175 -8.096 1.00 0.00 O ATOM 336 CB TYR A 22 5.612 -2.452 -10.745 1.00 0.00 C ATOM 337 CG TYR A 22 4.777 -3.493 -11.451 1.00 0.00 C ATOM 338 CD1 TYR A 22 5.283 -4.785 -11.631 1.00 0.00 C ATOM 339 CD2 TYR A 22 3.501 -3.167 -11.923 1.00 0.00 C ATOM 340 CE1 TYR A 22 4.512 -5.753 -12.284 1.00 0.00 C ATOM 341 CE2 TYR A 22 2.730 -4.135 -12.577 1.00 0.00 C ATOM 342 CZ TYR A 22 3.235 -5.428 -12.758 1.00 0.00 C ATOM 343 OH TYR A 22 2.475 -6.383 -13.401 1.00 0.00 O ATOM 0 H TYR A 22 3.707 -1.575 -9.198 1.00 0.00 H new ATOM 0 HA TYR A 22 5.799 -3.705 -8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.258 -1.452 -10.998 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.649 -2.516 -11.074 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.268 -5.035 -11.266 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.111 -2.170 -11.783 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.902 -6.751 -12.422 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.745 -3.884 -12.942 1.00 0.00 H new ATOM 0 HH TYR A 22 1.615 -5.994 -13.665 1.00 0.00 H new ATOM 353 N ALA A 23 6.153 -0.484 -8.342 1.00 0.00 N ATOM 354 CA ALA A 23 7.130 0.397 -7.656 1.00 0.00 C ATOM 355 C ALA A 23 8.436 0.142 -8.343 1.00 0.00 C ATOM 356 O ALA A 23 9.424 -0.099 -7.699 1.00 0.00 O ATOM 357 CB ALA A 23 7.222 0.024 -6.179 1.00 0.00 C ATOM 0 H ALA A 23 5.284 -0.044 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 23 6.845 1.448 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.941 0.676 -5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.244 0.142 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.546 -1.012 -6.085 1.00 0.00 H new ATOM 363 N ASP A 24 8.379 0.114 -9.667 1.00 0.00 N ATOM 364 CA ASP A 24 9.581 -0.205 -10.500 1.00 0.00 C ATOM 365 C ASP A 24 9.954 -1.644 -10.188 1.00 0.00 C ATOM 366 O ASP A 24 11.102 -1.973 -9.970 1.00 0.00 O ATOM 367 CB ASP A 24 10.739 0.725 -10.128 1.00 0.00 C ATOM 368 CG ASP A 24 10.998 1.702 -11.277 1.00 0.00 C ATOM 369 OD1 ASP A 24 10.148 1.801 -12.147 1.00 0.00 O ATOM 370 OD2 ASP A 24 12.042 2.333 -11.269 1.00 0.00 O ATOM 0 H ASP A 24 7.533 0.303 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 24 9.371 -0.071 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.501 1.274 -9.217 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.637 0.142 -9.923 1.00 0.00 H new ATOM 375 N VAL A 25 8.948 -2.481 -10.057 1.00 0.00 N ATOM 376 CA VAL A 25 9.167 -3.899 -9.638 1.00 0.00 C ATOM 377 C VAL A 25 10.131 -3.865 -8.450 1.00 0.00 C ATOM 378 O VAL A 25 10.759 -4.839 -8.086 1.00 0.00 O ATOM 379 CB VAL A 25 9.723 -4.731 -10.795 1.00 0.00 C ATOM 380 CG1 VAL A 25 11.001 -4.095 -11.344 1.00 0.00 C ATOM 381 CG2 VAL A 25 10.029 -6.147 -10.301 1.00 0.00 C ATOM 0 H VAL A 25 7.973 -2.234 -10.226 1.00 0.00 H new ATOM 0 HA VAL A 25 8.228 -4.372 -9.349 1.00 0.00 H new ATOM 0 HB VAL A 25 8.980 -4.769 -11.591 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.384 -4.699 -12.167 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.782 -3.090 -11.704 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.750 -4.042 -10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.425 -6.742 -11.124 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.765 -6.101 -9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.114 -6.608 -9.928 1.00 0.00 H new ATOM 391 N ARG A 26 10.198 -2.712 -7.841 1.00 0.00 N ATOM 392 CA ARG A 26 11.047 -2.477 -6.646 1.00 0.00 C ATOM 393 C ARG A 26 10.271 -2.934 -5.454 1.00 0.00 C ATOM 394 O ARG A 26 10.644 -3.883 -4.817 1.00 0.00 O ATOM 395 CB ARG A 26 11.370 -0.978 -6.547 1.00 0.00 C ATOM 396 CG ARG A 26 12.774 -0.769 -5.979 1.00 0.00 C ATOM 397 CD ARG A 26 13.515 0.270 -6.820 1.00 0.00 C ATOM 398 NE ARG A 26 14.510 -0.413 -7.691 1.00 0.00 N ATOM 399 CZ ARG A 26 15.248 0.286 -8.510 1.00 0.00 C ATOM 400 NH1 ARG A 26 16.532 0.389 -8.303 1.00 0.00 N ATOM 401 NH2 ARG A 26 14.701 0.882 -9.534 1.00 0.00 N ATOM 0 H ARG A 26 9.673 -1.890 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 26 11.988 -3.023 -6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.298 -0.519 -7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.636 -0.483 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.713 -0.437 -4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.322 -1.711 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.807 0.832 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.016 0.988 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 26 14.615 -1.427 -7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.958 -0.076 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.109 0.935 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.697 0.802 -9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.278 1.428 -10.174 1.00 0.00 H new ATOM 415 N ASP A 27 9.156 -2.291 -5.166 1.00 0.00 N ATOM 416 CA ASP A 27 8.322 -2.754 -3.990 1.00 0.00 C ATOM 417 C ASP A 27 8.317 -4.268 -4.017 1.00 0.00 C ATOM 418 O ASP A 27 8.238 -4.897 -2.991 1.00 0.00 O ATOM 419 CB ASP A 27 6.892 -2.218 -4.091 1.00 0.00 C ATOM 420 CG ASP A 27 6.107 -2.614 -2.838 1.00 0.00 C ATOM 421 OD1 ASP A 27 6.432 -2.110 -1.776 1.00 0.00 O ATOM 422 OD2 ASP A 27 5.194 -3.413 -2.963 1.00 0.00 O ATOM 0 H ASP A 27 8.791 -1.487 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 27 8.742 -2.381 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.906 -1.133 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.404 -2.618 -4.980 1.00 0.00 H new ATOM 427 N GLU A 28 8.505 -4.840 -5.186 1.00 0.00 N ATOM 428 CA GLU A 28 8.643 -6.289 -5.289 1.00 0.00 C ATOM 429 C GLU A 28 9.890 -6.581 -4.480 1.00 0.00 C ATOM 430 O GLU A 28 10.994 -6.517 -4.975 1.00 0.00 O ATOM 431 CB GLU A 28 8.827 -6.709 -6.749 1.00 0.00 C ATOM 432 CG GLU A 28 8.326 -8.142 -6.933 1.00 0.00 C ATOM 433 CD GLU A 28 9.306 -8.917 -7.813 1.00 0.00 C ATOM 434 OE1 GLU A 28 10.336 -8.359 -8.154 1.00 0.00 O ATOM 435 OE2 GLU A 28 9.010 -10.057 -8.133 1.00 0.00 O ATOM 0 H GLU A 28 8.566 -4.338 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 28 7.768 -6.831 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.278 -6.033 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.878 -6.641 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.227 -8.631 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.337 -8.136 -7.390 1.00 0.00 H new ATOM 442 N ILE A 29 9.684 -6.765 -3.215 1.00 0.00 N ATOM 443 CA ILE A 29 10.791 -6.936 -2.229 1.00 0.00 C ATOM 444 C ILE A 29 11.062 -5.538 -1.665 1.00 0.00 C ATOM 445 O ILE A 29 12.129 -5.001 -1.875 1.00 0.00 O ATOM 446 CB ILE A 29 12.066 -7.444 -2.913 1.00 0.00 C ATOM 447 CG1 ILE A 29 11.757 -8.748 -3.670 1.00 0.00 C ATOM 448 CG2 ILE A 29 13.117 -7.716 -1.828 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.044 -9.544 -3.911 1.00 0.00 C ATOM 0 H ILE A 29 8.753 -6.807 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 29 10.514 -7.659 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 29 12.438 -6.703 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.052 -9.350 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 29 11.280 -8.518 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.034 -8.079 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.326 -6.795 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.739 -8.468 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.808 -10.463 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 29 13.736 -8.946 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 29 13.504 -9.790 -2.954 1.00 0.00 H new ATOM 461 N ASN A 30 10.082 -4.934 -0.987 1.00 0.00 N ATOM 462 CA ASN A 30 10.223 -3.549 -0.463 1.00 0.00 C ATOM 463 C ASN A 30 11.286 -2.801 -1.235 1.00 0.00 C ATOM 464 O ASN A 30 12.113 -2.128 -0.659 1.00 0.00 O ATOM 465 CB ASN A 30 10.568 -3.557 1.003 1.00 0.00 C ATOM 466 CG ASN A 30 11.499 -4.730 1.316 1.00 0.00 C ATOM 467 OD1 ASN A 30 11.211 -5.535 2.178 1.00 0.00 O ATOM 468 ND2 ASN A 30 12.613 -4.859 0.648 1.00 0.00 N ATOM 0 H ASN A 30 9.182 -5.369 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 30 9.265 -3.044 -0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.049 -2.618 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.658 -3.635 1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.242 -5.636 0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.855 -4.183 -0.076 1.00 0.00 H new ATOM 475 N LYS A 31 11.246 -2.934 -2.540 1.00 0.00 N ATOM 476 CA LYS A 31 12.240 -2.245 -3.439 1.00 0.00 C ATOM 477 C LYS A 31 13.315 -3.215 -3.969 1.00 0.00 C ATOM 478 O LYS A 31 14.437 -2.805 -4.193 1.00 0.00 O ATOM 479 CB LYS A 31 12.961 -1.098 -2.714 1.00 0.00 C ATOM 480 CG LYS A 31 11.934 -0.086 -2.203 1.00 0.00 C ATOM 481 CD LYS A 31 12.079 1.217 -2.991 1.00 0.00 C ATOM 482 CE LYS A 31 11.106 2.262 -2.442 1.00 0.00 C ATOM 483 NZ LYS A 31 11.016 3.404 -3.396 1.00 0.00 N ATOM 0 H LYS A 31 10.555 -3.500 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 31 11.657 -1.854 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.544 -1.491 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.661 -0.610 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.926 -0.484 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.086 0.099 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.102 1.585 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.878 1.039 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.122 1.817 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.445 2.614 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.355 4.116 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.956 3.833 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.674 3.061 -4.316 1.00 0.00 H new ATOM 497 N ARG A 32 13.025 -4.479 -4.196 1.00 0.00 N ATOM 498 CA ARG A 32 14.102 -5.364 -4.725 1.00 0.00 C ATOM 499 C ARG A 32 13.526 -6.319 -5.775 1.00 0.00 C ATOM 500 O ARG A 32 13.102 -7.413 -5.465 1.00 0.00 O ATOM 501 CB ARG A 32 14.720 -6.169 -3.583 1.00 0.00 C ATOM 502 CG ARG A 32 16.237 -5.963 -3.573 1.00 0.00 C ATOM 503 CD ARG A 32 16.917 -7.205 -2.991 1.00 0.00 C ATOM 504 NE ARG A 32 18.137 -7.526 -3.787 1.00 0.00 N ATOM 505 CZ ARG A 32 19.102 -8.223 -3.252 1.00 0.00 C ATOM 506 NH1 ARG A 32 19.142 -9.517 -3.415 1.00 0.00 N ATOM 507 NH2 ARG A 32 20.028 -7.626 -2.553 1.00 0.00 N ATOM 0 H ARG A 32 12.118 -4.919 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 32 14.872 -4.746 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.294 -5.854 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.487 -7.227 -3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.596 -5.779 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.492 -5.084 -2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.186 -7.030 -1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.228 -8.050 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 32 18.217 -7.200 -4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.419 -9.985 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.897 -10.061 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.998 -6.615 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.782 -8.171 -2.135 1.00 0.00 H new ATOM 521 N GLY A 33 13.506 -5.914 -7.020 1.00 0.00 N ATOM 522 CA GLY A 33 12.959 -6.801 -8.086 1.00 0.00 C ATOM 523 C GLY A 33 14.061 -7.737 -8.589 1.00 0.00 C ATOM 524 O GLY A 33 14.878 -8.214 -7.828 1.00 0.00 O ATOM 0 H GLY A 33 13.845 -5.008 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.123 -7.383 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.573 -6.201 -8.910 1.00 0.00 H new ATOM 528 N ARG A 34 14.089 -8.003 -9.867 1.00 0.00 N ATOM 529 CA ARG A 34 15.139 -8.908 -10.417 1.00 0.00 C ATOM 530 C ARG A 34 15.523 -8.451 -11.827 1.00 0.00 C ATOM 531 O ARG A 34 14.917 -7.508 -12.308 1.00 0.00 O ATOM 532 CB ARG A 34 14.603 -10.338 -10.476 1.00 0.00 C ATOM 533 CG ARG A 34 14.231 -10.804 -9.068 1.00 0.00 C ATOM 534 CD ARG A 34 13.605 -12.197 -9.140 1.00 0.00 C ATOM 535 NE ARG A 34 12.283 -12.184 -8.454 1.00 0.00 N ATOM 536 CZ ARG A 34 11.225 -12.636 -9.069 1.00 0.00 C ATOM 537 NH1 ARG A 34 11.044 -12.369 -10.333 1.00 0.00 N ATOM 538 NH2 ARG A 34 10.350 -13.353 -8.421 1.00 0.00 N ATOM 539 OXT ARG A 34 16.415 -9.052 -12.401 1.00 0.00 O ATOM 0 H ARG A 34 13.431 -7.633 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 34 16.017 -8.875 -9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.730 -10.384 -11.128 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.355 -11.002 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.118 -10.825 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.531 -10.102 -8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.484 -12.499 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.263 -12.928 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 34 12.205 -11.822 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.729 -11.808 -10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.217 -12.722 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.492 -13.561 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.523 -13.706 -8.902 1.00 0.00 H new TER 553 ARG A 34