USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 275 hydrogens (2 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 TYR N :NH3+ -141:sc= 0.421 (180deg=0.0155) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.264 K(o=-0.26,f=-3.1!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00196 X(o=-0.002,f=-0.028) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -14.867 24.456 -16.936 1.00 0.00 N ATOM 2 CA TYR A 1 -13.525 23.896 -16.639 1.00 0.00 C ATOM 3 C TYR A 1 -13.613 22.374 -16.483 1.00 0.00 C ATOM 4 O TYR A 1 -14.681 21.880 -16.119 1.00 0.00 O ATOM 5 CB TYR A 1 -12.925 24.551 -15.383 1.00 0.00 C ATOM 6 CG TYR A 1 -13.817 24.483 -14.155 1.00 0.00 C ATOM 7 CD1 TYR A 1 -13.867 23.300 -13.386 1.00 0.00 C ATOM 8 CD2 TYR A 1 -14.616 25.591 -13.797 1.00 0.00 C ATOM 9 CE1 TYR A 1 -14.716 23.224 -12.268 1.00 0.00 C ATOM 10 CE2 TYR A 1 -15.458 25.522 -12.667 1.00 0.00 C ATOM 11 CZ TYR A 1 -15.495 24.338 -11.892 1.00 0.00 C ATOM 12 OH TYR A 1 -16.240 24.273 -10.756 1.00 0.00 O ATOM 0 H1 TYR A 1 -14.777 25.219 -17.636 1.00 0.00 H new ATOM 0 H2 TYR A 1 -15.479 23.707 -17.317 1.00 0.00 H new ATOM 0 H3 TYR A 1 -15.286 24.835 -16.063 1.00 0.00 H new ATOM 0 HA TYR A 1 -12.860 24.117 -17.474 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -11.975 24.068 -15.155 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -12.707 25.596 -15.602 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -13.253 22.454 -13.657 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -14.582 26.493 -14.390 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -14.772 22.310 -11.695 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -16.071 26.368 -12.395 1.00 0.00 H new ATOM 0 HH TYR A 1 -16.720 25.118 -10.631 1.00 0.00 H new ATOM 24 N PRO A 2 -12.532 21.615 -16.761 1.00 0.00 N ATOM 25 CA PRO A 2 -12.506 20.171 -16.534 1.00 0.00 C ATOM 26 C PRO A 2 -12.436 19.847 -15.034 1.00 0.00 C ATOM 27 O PRO A 2 -11.701 20.493 -14.291 1.00 0.00 O ATOM 28 CB PRO A 2 -11.282 19.659 -17.296 1.00 0.00 C ATOM 29 CG PRO A 2 -10.364 20.870 -17.483 1.00 0.00 C ATOM 30 CD PRO A 2 -11.240 22.099 -17.233 1.00 0.00 C ATOM 0 HA PRO A 2 -13.415 19.685 -16.889 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.778 18.870 -16.739 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.570 19.236 -18.258 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.527 20.838 -16.785 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.941 20.889 -18.487 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.781 22.755 -16.494 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.357 22.681 -18.147 1.00 0.00 H new ATOM 38 N SER A 3 -13.179 18.817 -14.599 1.00 0.00 N ATOM 39 CA SER A 3 -13.186 18.333 -13.207 1.00 0.00 C ATOM 40 C SER A 3 -11.801 17.846 -12.763 1.00 0.00 C ATOM 41 O SER A 3 -11.322 18.279 -11.718 1.00 0.00 O ATOM 42 CB SER A 3 -14.220 17.211 -13.043 1.00 0.00 C ATOM 43 OG SER A 3 -14.183 16.664 -11.739 1.00 0.00 O ATOM 0 H SER A 3 -13.801 18.289 -15.212 1.00 0.00 H new ATOM 0 HA SER A 3 -13.459 19.173 -12.568 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.217 17.600 -13.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.027 16.426 -13.774 1.00 0.00 H new ATOM 0 HG SER A 3 -14.853 15.953 -11.663 1.00 0.00 H new ATOM 49 N LYS A 4 -11.173 16.988 -13.583 1.00 0.00 N ATOM 50 CA LYS A 4 -9.886 16.324 -13.320 1.00 0.00 C ATOM 51 C LYS A 4 -9.907 15.580 -11.966 1.00 0.00 C ATOM 52 O LYS A 4 -9.362 16.079 -10.982 1.00 0.00 O ATOM 53 CB LYS A 4 -8.736 17.347 -13.457 1.00 0.00 C ATOM 54 CG LYS A 4 -8.320 17.610 -14.920 1.00 0.00 C ATOM 55 CD LYS A 4 -7.126 16.742 -15.377 1.00 0.00 C ATOM 56 CE LYS A 4 -7.543 15.501 -16.180 1.00 0.00 C ATOM 57 NZ LYS A 4 -7.488 15.733 -17.645 1.00 0.00 N ATOM 0 H LYS A 4 -11.566 16.727 -14.487 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.710 15.550 -14.067 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.040 18.288 -12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.871 16.987 -12.900 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.171 17.419 -15.573 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.061 18.663 -15.034 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.456 17.350 -15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.561 16.425 -14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.890 14.668 -15.922 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.555 15.212 -15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.778 14.868 -18.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.131 16.511 -17.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.517 15.983 -17.921 1.00 0.00 H new ATOM 71 N PRO A 5 -10.515 14.374 -11.909 1.00 0.00 N ATOM 72 CA PRO A 5 -10.567 13.527 -10.710 1.00 0.00 C ATOM 73 C PRO A 5 -9.205 12.869 -10.421 1.00 0.00 C ATOM 74 O PRO A 5 -9.067 11.642 -10.383 1.00 0.00 O ATOM 75 CB PRO A 5 -11.709 12.534 -10.966 1.00 0.00 C ATOM 76 CG PRO A 5 -11.777 12.405 -12.488 1.00 0.00 C ATOM 77 CD PRO A 5 -11.142 13.682 -13.030 1.00 0.00 C ATOM 0 HA PRO A 5 -10.768 14.095 -9.802 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -11.510 11.571 -10.495 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.651 12.900 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.239 11.522 -12.832 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.808 12.303 -12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.403 13.447 -13.796 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.896 14.316 -13.498 1.00 0.00 H new ATOM 85 N ASP A 6 -8.193 13.715 -10.220 1.00 0.00 N ATOM 86 CA ASP A 6 -6.808 13.376 -9.938 1.00 0.00 C ATOM 87 C ASP A 6 -6.337 14.202 -8.736 1.00 0.00 C ATOM 88 O ASP A 6 -6.001 15.374 -8.849 1.00 0.00 O ATOM 89 CB ASP A 6 -5.943 13.604 -11.191 1.00 0.00 C ATOM 90 CG ASP A 6 -4.685 12.728 -11.142 1.00 0.00 C ATOM 91 OD1 ASP A 6 -4.873 11.495 -11.035 1.00 0.00 O ATOM 92 OD2 ASP A 6 -3.570 13.285 -11.242 1.00 0.00 O ATOM 0 H ASP A 6 -8.336 14.724 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.712 12.321 -9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.520 13.372 -12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.660 14.654 -11.258 1.00 0.00 H new ATOM 97 N ASN A 7 -6.384 13.587 -7.551 1.00 0.00 N ATOM 98 CA ASN A 7 -5.873 14.178 -6.321 1.00 0.00 C ATOM 99 C ASN A 7 -5.475 13.057 -5.342 1.00 0.00 C ATOM 100 O ASN A 7 -6.057 11.968 -5.389 1.00 0.00 O ATOM 101 CB ASN A 7 -6.936 15.129 -5.716 1.00 0.00 C ATOM 102 CG ASN A 7 -6.522 16.597 -5.763 1.00 0.00 C ATOM 103 OD1 ASN A 7 -5.361 16.961 -5.660 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.469 17.507 -5.871 1.00 0.00 N ATOM 0 H ASN A 7 -6.782 12.657 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.983 14.772 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.875 15.005 -6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.123 14.843 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.227 18.498 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.444 17.220 -5.958 1.00 0.00 H new ATOM 111 N PRO A 8 -4.490 13.291 -4.450 1.00 0.00 N ATOM 112 CA PRO A 8 -4.165 12.376 -3.364 1.00 0.00 C ATOM 113 C PRO A 8 -5.238 12.406 -2.256 1.00 0.00 C ATOM 114 O PRO A 8 -6.102 13.274 -2.246 1.00 0.00 O ATOM 115 CB PRO A 8 -2.794 12.829 -2.867 1.00 0.00 C ATOM 116 CG PRO A 8 -2.641 14.287 -3.298 1.00 0.00 C ATOM 117 CD PRO A 8 -3.709 14.519 -4.365 1.00 0.00 C ATOM 0 HA PRO A 8 -4.142 11.337 -3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.723 12.734 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.003 12.213 -3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.779 14.961 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.644 14.475 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.344 15.364 -4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.251 14.754 -5.326 1.00 0.00 H new ATOM 125 N GLY A 9 -5.154 11.447 -1.312 1.00 0.00 N ATOM 126 CA GLY A 9 -6.111 11.259 -0.211 1.00 0.00 C ATOM 127 C GLY A 9 -6.305 12.521 0.645 1.00 0.00 C ATOM 128 O GLY A 9 -7.334 13.174 0.556 1.00 0.00 O ATOM 0 H GLY A 9 -4.396 10.765 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.074 10.956 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.766 10.445 0.427 1.00 0.00 H new ATOM 132 N GLU A 10 -5.290 12.855 1.450 1.00 0.00 N ATOM 133 CA GLU A 10 -5.239 14.102 2.223 1.00 0.00 C ATOM 134 C GLU A 10 -4.064 15.018 1.853 1.00 0.00 C ATOM 135 O GLU A 10 -4.164 16.221 2.089 1.00 0.00 O ATOM 136 CB GLU A 10 -5.248 13.801 3.731 1.00 0.00 C ATOM 137 CG GLU A 10 -6.670 13.601 4.280 1.00 0.00 C ATOM 138 CD GLU A 10 -6.990 12.161 4.684 1.00 0.00 C ATOM 139 OE1 GLU A 10 -6.943 11.292 3.784 1.00 0.00 O ATOM 140 OE2 GLU A 10 -7.369 11.970 5.863 1.00 0.00 O ATOM 0 H GLU A 10 -4.472 12.261 1.585 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.138 14.658 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.658 12.905 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.767 14.620 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.807 14.248 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.387 13.922 3.525 1.00 0.00 H new ATOM 147 N ASP A 11 -3.002 14.480 1.241 1.00 0.00 N ATOM 148 CA ASP A 11 -1.775 15.174 0.816 1.00 0.00 C ATOM 149 C ASP A 11 -0.723 14.127 0.420 1.00 0.00 C ATOM 150 O ASP A 11 -0.178 13.442 1.277 1.00 0.00 O ATOM 151 CB ASP A 11 -1.179 16.087 1.922 1.00 0.00 C ATOM 152 CG ASP A 11 -1.335 17.607 1.711 1.00 0.00 C ATOM 153 OD1 ASP A 11 -1.795 18.005 0.620 1.00 0.00 O ATOM 154 OD2 ASP A 11 -0.825 18.342 2.598 1.00 0.00 O ATOM 0 H ASP A 11 -2.972 13.486 1.014 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.041 15.814 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.646 15.824 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.117 15.862 2.016 1.00 0.00 H new ATOM 159 N ALA A 12 -0.435 14.024 -0.882 1.00 0.00 N ATOM 160 CA ALA A 12 0.483 13.033 -1.460 1.00 0.00 C ATOM 161 C ALA A 12 0.015 11.562 -1.252 1.00 0.00 C ATOM 162 O ALA A 12 -0.924 11.287 -0.497 1.00 0.00 O ATOM 163 CB ALA A 12 1.901 13.328 -0.934 1.00 0.00 C ATOM 0 H ALA A 12 -0.844 14.643 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 12 0.489 13.131 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.601 12.604 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.198 14.333 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.908 13.256 0.154 1.00 0.00 H new ATOM 169 N PRO A 13 0.604 10.581 -1.962 1.00 0.00 N ATOM 170 CA PRO A 13 0.365 9.171 -1.667 1.00 0.00 C ATOM 171 C PRO A 13 1.097 8.762 -0.389 1.00 0.00 C ATOM 172 O PRO A 13 2.026 9.434 0.054 1.00 0.00 O ATOM 173 CB PRO A 13 0.831 8.419 -2.910 1.00 0.00 C ATOM 174 CG PRO A 13 1.829 9.342 -3.608 1.00 0.00 C ATOM 175 CD PRO A 13 1.589 10.735 -3.019 1.00 0.00 C ATOM 0 HA PRO A 13 -0.682 8.944 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.297 7.471 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.009 8.186 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.854 9.014 -3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.674 9.341 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.516 11.153 -2.626 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.229 11.422 -3.785 1.00 0.00 H new ATOM 183 N ALA A 14 0.688 7.617 0.186 1.00 0.00 N ATOM 184 CA ALA A 14 1.223 7.004 1.410 1.00 0.00 C ATOM 185 C ALA A 14 0.667 7.613 2.715 1.00 0.00 C ATOM 186 O ALA A 14 1.219 7.381 3.789 1.00 0.00 O ATOM 187 CB ALA A 14 2.763 6.931 1.376 1.00 0.00 C ATOM 0 H ALA A 14 -0.069 7.064 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 14 0.855 5.978 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.126 6.473 2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.080 6.332 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.173 7.937 1.286 1.00 0.00 H new ATOM 193 N GLU A 15 -0.458 8.346 2.614 1.00 0.00 N ATOM 194 CA GLU A 15 -1.134 9.050 3.714 1.00 0.00 C ATOM 195 C GLU A 15 -2.492 8.442 4.097 1.00 0.00 C ATOM 196 O GLU A 15 -3.121 8.878 5.051 1.00 0.00 O ATOM 197 CB GLU A 15 -1.268 10.534 3.328 1.00 0.00 C ATOM 198 CG GLU A 15 -0.403 11.464 4.200 1.00 0.00 C ATOM 199 CD GLU A 15 -1.079 11.998 5.470 1.00 0.00 C ATOM 200 OE1 GLU A 15 -1.855 12.981 5.346 1.00 0.00 O ATOM 201 OE2 GLU A 15 -0.721 11.497 6.565 1.00 0.00 O ATOM 0 H GLU A 15 -0.940 8.467 1.723 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.523 8.943 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.985 10.659 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.313 10.833 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.500 10.926 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.088 12.313 3.593 1.00 0.00 H new ATOM 208 N ASP A 16 -2.906 7.403 3.369 1.00 0.00 N ATOM 209 CA ASP A 16 -4.128 6.620 3.598 1.00 0.00 C ATOM 210 C ASP A 16 -4.064 5.294 2.842 1.00 0.00 C ATOM 211 O ASP A 16 -4.323 4.235 3.409 1.00 0.00 O ATOM 212 CB ASP A 16 -5.368 7.421 3.148 1.00 0.00 C ATOM 213 CG ASP A 16 -6.624 6.931 3.876 1.00 0.00 C ATOM 214 OD1 ASP A 16 -6.893 7.421 4.993 1.00 0.00 O ATOM 215 OD2 ASP A 16 -7.281 6.024 3.318 1.00 0.00 O ATOM 0 H ASP A 16 -2.375 7.067 2.565 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.207 6.412 4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.215 8.481 3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.502 7.318 2.071 1.00 0.00 H new ATOM 220 N LEU A 17 -3.604 5.325 1.578 1.00 0.00 N ATOM 221 CA LEU A 17 -3.447 4.127 0.737 1.00 0.00 C ATOM 222 C LEU A 17 -2.632 3.039 1.440 1.00 0.00 C ATOM 223 O LEU A 17 -3.017 1.882 1.373 1.00 0.00 O ATOM 224 CB LEU A 17 -2.838 4.515 -0.629 1.00 0.00 C ATOM 225 CG LEU A 17 -2.667 3.389 -1.684 1.00 0.00 C ATOM 226 CD1 LEU A 17 -1.594 2.358 -1.339 1.00 0.00 C ATOM 227 CD2 LEU A 17 -3.987 2.672 -1.983 1.00 0.00 C ATOM 0 H LEU A 17 -3.329 6.188 1.110 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.435 3.701 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.463 5.294 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.858 4.957 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.328 3.914 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.542 1.609 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.628 2.855 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.845 1.873 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.818 1.893 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.372 2.223 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.712 3.389 -2.368 1.00 0.00 H new ATOM 239 N ALA A 18 -1.567 3.411 2.157 1.00 0.00 N ATOM 240 CA ALA A 18 -0.747 2.477 2.938 1.00 0.00 C ATOM 241 C ALA A 18 -1.581 1.609 3.899 1.00 0.00 C ATOM 242 O ALA A 18 -1.179 0.491 4.202 1.00 0.00 O ATOM 243 CB ALA A 18 0.320 3.274 3.703 1.00 0.00 C ATOM 0 H ALA A 18 -1.246 4.378 2.213 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.271 1.783 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.936 2.590 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.949 3.813 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.166 3.985 4.371 1.00 0.00 H new ATOM 249 N GLN A 19 -2.741 2.097 4.349 1.00 0.00 N ATOM 250 CA GLN A 19 -3.725 1.361 5.137 1.00 0.00 C ATOM 251 C GLN A 19 -4.532 0.386 4.272 1.00 0.00 C ATOM 252 O GLN A 19 -4.697 -0.775 4.649 1.00 0.00 O ATOM 253 CB GLN A 19 -4.668 2.381 5.811 1.00 0.00 C ATOM 254 CG GLN A 19 -5.254 1.865 7.130 1.00 0.00 C ATOM 255 CD GLN A 19 -4.987 2.847 8.266 1.00 0.00 C ATOM 256 OE1 GLN A 19 -5.515 3.945 8.312 1.00 0.00 O ATOM 257 NE2 GLN A 19 -4.144 2.501 9.219 1.00 0.00 N ATOM 0 H GLN A 19 -3.029 3.058 4.164 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.204 0.766 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.122 3.306 5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.482 2.624 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.328 1.713 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.818 0.896 7.372 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.694 1.586 9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.942 3.148 9.981 1.00 0.00 H new ATOM 266 N TYR A 20 -4.997 0.836 3.098 1.00 0.00 N ATOM 267 CA TYR A 20 -5.720 0.015 2.131 1.00 0.00 C ATOM 268 C TYR A 20 -4.826 -1.115 1.603 1.00 0.00 C ATOM 269 O TYR A 20 -5.128 -2.276 1.832 1.00 0.00 O ATOM 270 CB TYR A 20 -6.254 0.890 0.992 1.00 0.00 C ATOM 271 CG TYR A 20 -7.505 0.368 0.313 1.00 0.00 C ATOM 272 CD1 TYR A 20 -8.660 0.124 1.081 1.00 0.00 C ATOM 273 CD2 TYR A 20 -7.542 0.176 -1.084 1.00 0.00 C ATOM 274 CE1 TYR A 20 -9.838 -0.336 0.467 1.00 0.00 C ATOM 275 CE2 TYR A 20 -8.719 -0.285 -1.706 1.00 0.00 C ATOM 276 CZ TYR A 20 -9.873 -0.539 -0.929 1.00 0.00 C ATOM 277 OH TYR A 20 -11.014 -0.982 -1.522 1.00 0.00 O ATOM 0 H TYR A 20 -4.876 1.802 2.793 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.572 -0.449 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.461 1.885 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.471 1.000 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.641 0.291 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.665 0.383 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.716 -0.534 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.740 -0.444 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.869 -1.068 -2.487 1.00 0.00 H new ATOM 287 N ALA A 21 -3.691 -0.783 0.966 1.00 0.00 N ATOM 288 CA ALA A 21 -2.727 -1.755 0.451 1.00 0.00 C ATOM 289 C ALA A 21 -2.346 -2.800 1.499 1.00 0.00 C ATOM 290 O ALA A 21 -2.161 -3.952 1.124 1.00 0.00 O ATOM 291 CB ALA A 21 -1.482 -1.036 -0.083 1.00 0.00 C ATOM 0 H ALA A 21 -3.418 0.185 0.794 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.205 -2.290 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.773 -1.771 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.770 -0.359 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.018 -0.466 0.722 1.00 0.00 H new ATOM 297 N ALA A 22 -2.290 -2.412 2.783 1.00 0.00 N ATOM 298 CA ALA A 22 -2.095 -3.290 3.932 1.00 0.00 C ATOM 299 C ALA A 22 -3.315 -4.172 4.199 1.00 0.00 C ATOM 300 O ALA A 22 -3.131 -5.381 4.299 1.00 0.00 O ATOM 301 CB ALA A 22 -1.749 -2.465 5.173 1.00 0.00 C ATOM 0 H ALA A 22 -2.384 -1.433 3.053 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.264 -3.955 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.606 -3.131 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.832 -1.904 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.562 -1.772 5.387 1.00 0.00 H new ATOM 307 N ASP A 23 -4.534 -3.621 4.278 1.00 0.00 N ATOM 308 CA ASP A 23 -5.772 -4.408 4.366 1.00 0.00 C ATOM 309 C ASP A 23 -5.823 -5.490 3.287 1.00 0.00 C ATOM 310 O ASP A 23 -6.011 -6.666 3.604 1.00 0.00 O ATOM 311 CB ASP A 23 -7.013 -3.504 4.282 1.00 0.00 C ATOM 312 CG ASP A 23 -7.911 -3.723 5.506 1.00 0.00 C ATOM 313 OD1 ASP A 23 -8.404 -4.867 5.669 1.00 0.00 O ATOM 314 OD2 ASP A 23 -7.995 -2.787 6.323 1.00 0.00 O ATOM 0 H ASP A 23 -4.690 -2.613 4.283 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.774 -4.901 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.708 -2.459 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.569 -3.721 3.370 1.00 0.00 H new ATOM 319 N LEU A 24 -5.555 -5.110 2.027 1.00 0.00 N ATOM 320 CA LEU A 24 -5.510 -6.062 0.918 1.00 0.00 C ATOM 321 C LEU A 24 -4.375 -7.074 1.109 1.00 0.00 C ATOM 322 O LEU A 24 -4.633 -8.271 1.035 1.00 0.00 O ATOM 323 CB LEU A 24 -5.422 -5.361 -0.448 1.00 0.00 C ATOM 324 CG LEU A 24 -6.682 -4.526 -0.792 1.00 0.00 C ATOM 325 CD1 LEU A 24 -6.467 -3.024 -0.639 1.00 0.00 C ATOM 326 CD2 LEU A 24 -7.144 -4.777 -2.227 1.00 0.00 C ATOM 0 H LEU A 24 -5.366 -4.145 1.756 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.452 -6.610 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.549 -4.709 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.269 -6.111 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.437 -4.853 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.386 -2.497 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.194 -2.799 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.667 -2.701 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.029 -4.176 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.348 -4.502 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.385 -5.833 -2.352 1.00 0.00 H new ATOM 338 N ARG A 25 -3.140 -6.633 1.403 1.00 0.00 N ATOM 339 CA ARG A 25 -1.987 -7.497 1.713 1.00 0.00 C ATOM 340 C ARG A 25 -2.264 -8.495 2.844 1.00 0.00 C ATOM 341 O ARG A 25 -1.787 -9.618 2.784 1.00 0.00 O ATOM 342 CB ARG A 25 -0.758 -6.642 2.085 1.00 0.00 C ATOM 343 CG ARG A 25 0.315 -6.560 0.983 1.00 0.00 C ATOM 344 CD ARG A 25 1.545 -7.419 1.306 1.00 0.00 C ATOM 345 NE ARG A 25 1.697 -8.574 0.401 1.00 0.00 N ATOM 346 CZ ARG A 25 2.517 -9.601 0.577 1.00 0.00 C ATOM 347 NH1 ARG A 25 3.272 -9.712 1.647 1.00 0.00 N ATOM 348 NH2 ARG A 25 2.601 -10.535 -0.339 1.00 0.00 N ATOM 0 H ARG A 25 -2.910 -5.640 1.432 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.791 -8.073 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.092 -5.633 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.305 -7.052 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.114 -6.885 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.622 -5.522 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.440 -6.799 1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.472 -7.777 2.333 1.00 0.00 H new ATOM 0 HE ARG A 25 1.117 -8.583 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.237 -8.995 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.892 -10.515 1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.036 -10.471 -1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.231 -11.326 -0.205 1.00 0.00 H new ATOM 362 N HIS A 26 -3.009 -8.072 3.868 1.00 0.00 N ATOM 363 CA HIS A 26 -3.384 -8.888 5.017 1.00 0.00 C ATOM 364 C HIS A 26 -4.446 -9.917 4.631 1.00 0.00 C ATOM 365 O HIS A 26 -4.233 -11.117 4.849 1.00 0.00 O ATOM 366 CB HIS A 26 -3.881 -7.984 6.154 1.00 0.00 C ATOM 367 CG HIS A 26 -3.793 -8.675 7.482 1.00 0.00 C ATOM 368 ND1 HIS A 26 -2.643 -8.800 8.234 1.00 0.00 N ATOM 369 CD2 HIS A 26 -4.791 -9.353 8.131 1.00 0.00 C ATOM 370 CE1 HIS A 26 -2.952 -9.525 9.319 1.00 0.00 C ATOM 371 NE2 HIS A 26 -4.242 -9.882 9.302 1.00 0.00 N ATOM 0 H HIS A 26 -3.377 -7.122 3.918 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.507 -9.435 5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.289 -7.069 6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.913 -7.691 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.813 -9.459 7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.254 -9.786 10.101 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.730 -10.434 10.008 1.00 0.00 H new ATOM 378 N TYR A 27 -5.537 -9.458 4.002 1.00 0.00 N ATOM 379 CA TYR A 27 -6.572 -10.305 3.414 1.00 0.00 C ATOM 380 C TYR A 27 -5.939 -11.370 2.523 1.00 0.00 C ATOM 381 O TYR A 27 -6.065 -12.546 2.821 1.00 0.00 O ATOM 382 CB TYR A 27 -7.590 -9.467 2.627 1.00 0.00 C ATOM 383 CG TYR A 27 -8.907 -9.234 3.337 1.00 0.00 C ATOM 384 CD1 TYR A 27 -8.938 -8.704 4.644 1.00 0.00 C ATOM 385 CD2 TYR A 27 -10.111 -9.540 2.673 1.00 0.00 C ATOM 386 CE1 TYR A 27 -10.174 -8.482 5.285 1.00 0.00 C ATOM 387 CE2 TYR A 27 -11.345 -9.306 3.301 1.00 0.00 C ATOM 388 CZ TYR A 27 -11.381 -8.767 4.608 1.00 0.00 C ATOM 389 OH TYR A 27 -12.577 -8.507 5.190 1.00 0.00 O ATOM 0 H TYR A 27 -5.724 -8.462 3.888 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.108 -10.803 4.222 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.142 -8.500 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.789 -9.962 1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.015 -8.468 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.085 -9.956 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.198 -8.094 6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.266 -9.537 2.786 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.300 -8.765 4.581 1.00 0.00 H new ATOM 399 N ILE A 28 -5.218 -10.963 1.468 1.00 0.00 N ATOM 400 CA ILE A 28 -4.566 -11.871 0.514 1.00 0.00 C ATOM 401 C ILE A 28 -3.698 -12.899 1.217 1.00 0.00 C ATOM 402 O ILE A 28 -3.689 -14.054 0.805 1.00 0.00 O ATOM 403 CB ILE A 28 -3.788 -11.079 -0.568 1.00 0.00 C ATOM 404 CG1 ILE A 28 -4.252 -11.484 -1.983 1.00 0.00 C ATOM 405 CG2 ILE A 28 -2.249 -11.168 -0.447 1.00 0.00 C ATOM 406 CD1 ILE A 28 -3.916 -10.415 -3.027 1.00 0.00 C ATOM 0 H ILE A 28 -5.069 -9.978 1.251 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.347 -12.431 0.000 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.031 -10.031 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.779 -12.425 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.328 -11.657 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.787 -10.585 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.937 -10.773 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.937 -12.209 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.261 -10.743 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.410 -9.480 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.837 -10.260 -3.055 1.00 0.00 H new ATOM 417 N ASN A 29 -2.973 -12.521 2.274 1.00 0.00 N ATOM 418 CA ASN A 29 -2.184 -13.446 3.076 1.00 0.00 C ATOM 419 C ASN A 29 -3.057 -14.587 3.623 1.00 0.00 C ATOM 420 O ASN A 29 -2.878 -15.753 3.261 1.00 0.00 O ATOM 421 CB ASN A 29 -1.466 -12.690 4.213 1.00 0.00 C ATOM 422 CG ASN A 29 0.036 -12.874 4.182 1.00 0.00 C ATOM 423 OD1 ASN A 29 0.562 -13.983 4.147 1.00 0.00 O ATOM 424 ND2 ASN A 29 0.778 -11.788 4.177 1.00 0.00 N ATOM 0 H ASN A 29 -2.920 -11.554 2.596 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.425 -13.897 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.699 -11.628 4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.850 -13.036 5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.795 -11.865 4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.337 -10.869 4.206 1.00 0.00 H new ATOM 431 N LEU A 30 -4.059 -14.221 4.435 1.00 0.00 N ATOM 432 CA LEU A 30 -5.017 -15.130 5.073 1.00 0.00 C ATOM 433 C LEU A 30 -6.149 -15.550 4.110 1.00 0.00 C ATOM 434 O LEU A 30 -7.271 -15.824 4.530 1.00 0.00 O ATOM 435 CB LEU A 30 -5.522 -14.466 6.371 1.00 0.00 C ATOM 436 CG LEU A 30 -4.400 -14.290 7.418 1.00 0.00 C ATOM 437 CD1 LEU A 30 -4.666 -13.108 8.348 1.00 0.00 C ATOM 438 CD2 LEU A 30 -4.212 -15.568 8.254 1.00 0.00 C ATOM 0 H LEU A 30 -4.229 -13.244 4.674 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.527 -16.068 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.951 -13.492 6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.322 -15.071 6.798 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.485 -14.089 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.852 -13.021 9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.731 -12.191 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.605 -13.267 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.416 -15.413 8.982 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.140 -15.801 8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.947 -16.397 7.597 1.00 0.00 H new ATOM 450 N ILE A 31 -5.831 -15.621 2.811 1.00 0.00 N ATOM 451 CA ILE A 31 -6.703 -16.022 1.704 1.00 0.00 C ATOM 452 C ILE A 31 -5.913 -16.895 0.713 1.00 0.00 C ATOM 453 O ILE A 31 -6.338 -17.997 0.406 1.00 0.00 O ATOM 454 CB ILE A 31 -7.400 -14.793 1.067 1.00 0.00 C ATOM 455 CG1 ILE A 31 -8.532 -14.325 2.017 1.00 0.00 C ATOM 456 CG2 ILE A 31 -7.930 -15.095 -0.345 1.00 0.00 C ATOM 457 CD1 ILE A 31 -9.501 -13.275 1.442 1.00 0.00 C ATOM 0 H ILE A 31 -4.894 -15.383 2.486 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.520 -16.641 2.075 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.671 -13.992 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -9.110 -15.198 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.077 -13.916 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.410 -14.205 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.101 -15.387 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.655 -15.908 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.250 -13.022 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.945 -12.378 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.994 -13.680 0.559 1.00 0.00 H new ATOM 468 N THR A 32 -4.751 -16.452 0.225 1.00 0.00 N ATOM 469 CA THR A 32 -3.958 -17.168 -0.781 1.00 0.00 C ATOM 470 C THR A 32 -3.469 -18.520 -0.251 1.00 0.00 C ATOM 471 O THR A 32 -3.479 -19.511 -0.975 1.00 0.00 O ATOM 472 CB THR A 32 -2.807 -16.274 -1.289 1.00 0.00 C ATOM 473 OG1 THR A 32 -2.472 -16.630 -2.609 1.00 0.00 O ATOM 474 CG2 THR A 32 -1.513 -16.337 -0.466 1.00 0.00 C ATOM 0 H THR A 32 -4.327 -15.573 0.521 1.00 0.00 H new ATOM 0 HA THR A 32 -4.596 -17.393 -1.636 1.00 0.00 H new ATOM 0 HB THR A 32 -3.197 -15.259 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.742 -16.058 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.769 -15.673 -0.906 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.717 -16.024 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.132 -17.358 -0.464 1.00 0.00 H new ATOM 482 N ARG A 33 -3.143 -18.572 1.050 1.00 0.00 N ATOM 483 CA ARG A 33 -2.724 -19.767 1.796 1.00 0.00 C ATOM 484 C ARG A 33 -3.891 -20.659 2.250 1.00 0.00 C ATOM 485 O ARG A 33 -3.693 -21.559 3.058 1.00 0.00 O ATOM 486 CB ARG A 33 -1.856 -19.303 2.981 1.00 0.00 C ATOM 487 CG ARG A 33 -0.442 -18.907 2.520 1.00 0.00 C ATOM 488 CD ARG A 33 0.214 -17.890 3.472 1.00 0.00 C ATOM 489 NE ARG A 33 1.560 -18.311 3.894 1.00 0.00 N ATOM 490 CZ ARG A 33 2.676 -18.326 3.167 1.00 0.00 C ATOM 491 NH1 ARG A 33 2.688 -17.932 1.913 1.00 0.00 N ATOM 492 NH2 ARG A 33 3.796 -18.737 3.706 1.00 0.00 N ATOM 0 H ARG A 33 -3.166 -17.739 1.639 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.148 -20.407 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.332 -18.454 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.789 -20.102 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.182 -19.799 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.494 -18.483 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.277 -16.920 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.416 -17.759 4.352 1.00 0.00 H new ATOM 0 HE ARG A 33 1.649 -18.629 4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.828 -17.604 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.557 -17.954 1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.811 -19.044 4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.653 -18.750 3.153 1.00 0.00 H new ATOM 506 N GLN A 34 -5.097 -20.396 1.743 1.00 0.00 N ATOM 507 CA GLN A 34 -6.322 -21.160 2.010 1.00 0.00 C ATOM 508 C GLN A 34 -7.243 -21.281 0.769 1.00 0.00 C ATOM 509 O GLN A 34 -8.417 -21.624 0.915 1.00 0.00 O ATOM 510 CB GLN A 34 -7.058 -20.554 3.232 1.00 0.00 C ATOM 511 CG GLN A 34 -7.511 -19.112 3.008 1.00 0.00 C ATOM 512 CD GLN A 34 -8.633 -18.643 3.932 1.00 0.00 C ATOM 513 OE1 GLN A 34 -8.658 -18.888 5.129 1.00 0.00 O ATOM 514 NE2 GLN A 34 -9.613 -17.947 3.384 1.00 0.00 N ATOM 0 H GLN A 34 -5.256 -19.613 1.109 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.034 -22.184 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.927 -21.169 3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.399 -20.590 4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.653 -18.452 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.842 -19.006 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.595 -17.741 2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.387 -17.616 3.960 1.00 0.00 H new ATOM 523 N ARG A 35 -6.731 -20.997 -0.442 1.00 0.00 N ATOM 524 CA ARG A 35 -7.497 -21.019 -1.697 1.00 0.00 C ATOM 525 C ARG A 35 -6.988 -22.116 -2.638 1.00 0.00 C ATOM 526 O ARG A 35 -6.631 -23.206 -2.178 1.00 0.00 O ATOM 527 CB ARG A 35 -7.528 -19.603 -2.320 1.00 0.00 C ATOM 528 CG ARG A 35 -8.874 -19.314 -3.009 1.00 0.00 C ATOM 529 CD ARG A 35 -8.710 -18.567 -4.339 1.00 0.00 C ATOM 530 NE ARG A 35 -9.965 -17.944 -4.777 1.00 0.00 N ATOM 531 CZ ARG A 35 -10.226 -17.424 -5.971 1.00 0.00 C ATOM 532 NH1 ARG A 35 -9.352 -17.460 -6.951 1.00 0.00 N ATOM 533 NH2 ARG A 35 -11.380 -16.838 -6.212 1.00 0.00 N ATOM 0 H ARG A 35 -5.753 -20.741 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.534 -21.286 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.350 -18.860 -1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.720 -19.507 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.396 -20.254 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.500 -18.724 -2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.942 -17.800 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.363 -19.261 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.718 -17.906 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.442 -17.897 -6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.584 -17.051 -7.856 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.085 -16.780 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.569 -16.442 -7.133 1.00 0.00 H new ATOM 547 N TYR A 36 -6.928 -21.822 -3.941 1.00 0.00 N ATOM 548 CA TYR A 36 -6.302 -22.612 -5.003 1.00 0.00 C ATOM 549 C TYR A 36 -4.945 -23.222 -4.594 1.00 0.00 C ATOM 550 O TYR A 36 -4.584 -24.298 -5.040 1.00 0.00 O ATOM 551 CB TYR A 36 -6.171 -21.725 -6.264 1.00 0.00 C ATOM 552 CG TYR A 36 -5.113 -20.622 -6.194 1.00 0.00 C ATOM 553 CD1 TYR A 36 -3.747 -20.968 -6.279 1.00 0.00 C ATOM 554 CD2 TYR A 36 -5.465 -19.272 -6.028 1.00 0.00 C ATOM 555 CE1 TYR A 36 -2.749 -19.993 -6.115 1.00 0.00 C ATOM 556 CE2 TYR A 36 -4.473 -18.274 -5.912 1.00 0.00 C ATOM 557 CZ TYR A 36 -3.111 -18.636 -5.945 1.00 0.00 C ATOM 558 OH TYR A 36 -2.128 -17.701 -5.864 1.00 0.00 O ATOM 0 H TYR A 36 -7.345 -20.965 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.943 -23.469 -5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.944 -22.367 -7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.138 -21.263 -6.462 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.466 -21.993 -6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.508 -18.994 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.708 -20.279 -6.119 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.756 -17.238 -5.799 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.529 -16.814 -5.749 1.00 0.00 H new HETATM 568 N NH2 A 37 -4.150 -22.565 -3.759 1.00 0.00 N TER 571 NH2 A 37