USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=9 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+ -132:sc= 1.01 (180deg=-0.127) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.322 K(o=-0.32,f=-2.5!) USER MOD Single : A 19 GLN : amide:sc=-0.00491 K(o=-0.0049,f=-0.63) USER MOD Single : A 20 TYR OH : rot 22:sc= 0.993 USER MOD Single : A 26 HIS : no HE2:sc= -0.138 X(o=-0.14,f=-0.053) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0.579 F(o=-0.024,f=0.58) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 23.300 15.154 5.921 1.00 0.00 N ATOM 2 CA TYR A 1 22.453 16.319 5.577 1.00 0.00 C ATOM 3 C TYR A 1 22.546 16.614 4.071 1.00 0.00 C ATOM 4 O TYR A 1 23.469 17.291 3.645 1.00 0.00 O ATOM 5 CB TYR A 1 22.821 17.540 6.450 1.00 0.00 C ATOM 6 CG TYR A 1 24.300 17.920 6.457 1.00 0.00 C ATOM 7 CD1 TYR A 1 25.204 17.247 7.303 1.00 0.00 C ATOM 8 CD2 TYR A 1 24.777 18.930 5.595 1.00 0.00 C ATOM 9 CE1 TYR A 1 26.579 17.558 7.268 1.00 0.00 C ATOM 10 CE2 TYR A 1 26.154 19.245 5.556 1.00 0.00 C ATOM 11 CZ TYR A 1 27.057 18.569 6.403 1.00 0.00 C ATOM 12 OH TYR A 1 28.373 18.918 6.415 1.00 0.00 O ATOM 0 H1 TYR A 1 22.756 14.490 6.508 1.00 0.00 H new ATOM 0 H2 TYR A 1 23.604 14.676 5.049 1.00 0.00 H new ATOM 0 H3 TYR A 1 24.136 15.477 6.448 1.00 0.00 H new ATOM 0 HA TYR A 1 21.411 16.085 5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 1 22.245 18.398 6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 1 22.510 17.339 7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 1 24.842 16.489 7.982 1.00 0.00 H new ATOM 0 HD2 TYR A 1 24.086 19.466 4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 1 27.269 17.023 7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 1 26.515 20.004 4.877 1.00 0.00 H new ATOM 0 HH TYR A 1 28.529 19.628 5.758 1.00 0.00 H new ATOM 24 N PRO A 2 21.650 16.060 3.232 1.00 0.00 N ATOM 25 CA PRO A 2 21.668 16.323 1.790 1.00 0.00 C ATOM 26 C PRO A 2 21.090 17.707 1.461 1.00 0.00 C ATOM 27 O PRO A 2 21.822 18.633 1.115 1.00 0.00 O ATOM 28 CB PRO A 2 20.905 15.154 1.157 1.00 0.00 C ATOM 29 CG PRO A 2 20.013 14.593 2.271 1.00 0.00 C ATOM 30 CD PRO A 2 20.623 15.093 3.585 1.00 0.00 C ATOM 0 HA PRO A 2 22.678 16.369 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.309 15.489 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 2 21.591 14.394 0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.985 14.939 2.160 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.988 13.504 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 2 19.861 15.552 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.050 14.266 4.152 1.00 0.00 H new ATOM 38 N SER A 3 19.767 17.852 1.603 1.00 0.00 N ATOM 39 CA SER A 3 18.991 19.058 1.306 1.00 0.00 C ATOM 40 C SER A 3 18.430 19.666 2.589 1.00 0.00 C ATOM 41 O SER A 3 18.850 20.754 2.966 1.00 0.00 O ATOM 42 CB SER A 3 17.864 18.724 0.316 1.00 0.00 C ATOM 43 OG SER A 3 17.210 17.533 0.726 1.00 0.00 O ATOM 0 H SER A 3 19.181 17.091 1.946 1.00 0.00 H new ATOM 0 HA SER A 3 19.648 19.797 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.150 19.546 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.272 18.600 -0.687 1.00 0.00 H new ATOM 0 HG SER A 3 16.490 17.321 0.095 1.00 0.00 H new ATOM 49 N LYS A 4 17.507 18.944 3.256 1.00 0.00 N ATOM 50 CA LYS A 4 16.808 19.328 4.495 1.00 0.00 C ATOM 51 C LYS A 4 16.019 20.641 4.324 1.00 0.00 C ATOM 52 O LYS A 4 16.495 21.693 4.740 1.00 0.00 O ATOM 53 CB LYS A 4 17.801 19.344 5.682 1.00 0.00 C ATOM 54 CG LYS A 4 18.052 17.929 6.244 1.00 0.00 C ATOM 55 CD LYS A 4 17.342 17.737 7.597 1.00 0.00 C ATOM 56 CE LYS A 4 17.051 16.263 7.916 1.00 0.00 C ATOM 57 NZ LYS A 4 18.057 15.663 8.826 1.00 0.00 N ATOM 0 H LYS A 4 17.214 18.025 2.924 1.00 0.00 H new ATOM 0 HA LYS A 4 16.053 18.576 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 4 18.747 19.778 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.410 19.984 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.695 17.183 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.123 17.767 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 4 17.960 18.160 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.405 18.294 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.063 16.182 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.023 15.694 6.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.812 14.669 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.998 15.713 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.068 16.186 9.725 1.00 0.00 H new ATOM 71 N PRO A 5 14.804 20.587 3.724 1.00 0.00 N ATOM 72 CA PRO A 5 14.011 21.773 3.423 1.00 0.00 C ATOM 73 C PRO A 5 13.444 22.444 4.683 1.00 0.00 C ATOM 74 O PRO A 5 13.631 23.639 4.870 1.00 0.00 O ATOM 75 CB PRO A 5 12.907 21.308 2.466 1.00 0.00 C ATOM 76 CG PRO A 5 12.793 19.798 2.667 1.00 0.00 C ATOM 77 CD PRO A 5 14.121 19.372 3.296 1.00 0.00 C ATOM 0 HA PRO A 5 14.630 22.545 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.962 21.805 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.158 21.547 1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.953 19.550 3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.625 19.287 1.719 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.950 18.708 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.728 18.822 2.577 1.00 0.00 H new ATOM 85 N ASP A 6 12.746 21.677 5.527 1.00 0.00 N ATOM 86 CA ASP A 6 12.231 22.096 6.838 1.00 0.00 C ATOM 87 C ASP A 6 11.944 20.819 7.661 1.00 0.00 C ATOM 88 O ASP A 6 12.805 20.331 8.384 1.00 0.00 O ATOM 89 CB ASP A 6 10.975 23.010 6.676 1.00 0.00 C ATOM 90 CG ASP A 6 11.224 24.533 6.808 1.00 0.00 C ATOM 91 OD1 ASP A 6 12.224 24.930 7.445 1.00 0.00 O ATOM 92 OD2 ASP A 6 10.378 25.319 6.333 1.00 0.00 O ATOM 0 H ASP A 6 12.514 20.708 5.308 1.00 0.00 H new ATOM 0 HA ASP A 6 12.966 22.700 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.533 22.817 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.237 22.716 7.423 1.00 0.00 H new ATOM 97 N ASN A 7 10.741 20.245 7.501 1.00 0.00 N ATOM 98 CA ASN A 7 10.254 19.029 8.156 1.00 0.00 C ATOM 99 C ASN A 7 9.051 18.476 7.357 1.00 0.00 C ATOM 100 O ASN A 7 7.962 19.059 7.424 1.00 0.00 O ATOM 101 CB ASN A 7 9.878 19.361 9.616 1.00 0.00 C ATOM 102 CG ASN A 7 9.422 18.138 10.405 1.00 0.00 C ATOM 103 OD1 ASN A 7 8.566 17.374 9.994 1.00 0.00 O ATOM 104 ND2 ASN A 7 9.991 17.894 11.570 1.00 0.00 N ATOM 0 H ASN A 7 10.044 20.644 6.873 1.00 0.00 H new ATOM 0 HA ASN A 7 11.025 18.259 8.176 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.738 19.809 10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.083 20.107 9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.713 17.076 12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.709 18.523 11.929 1.00 0.00 H new ATOM 111 N PRO A 8 9.208 17.425 6.533 1.00 0.00 N ATOM 112 CA PRO A 8 8.104 16.794 5.818 1.00 0.00 C ATOM 113 C PRO A 8 7.290 15.849 6.721 1.00 0.00 C ATOM 114 O PRO A 8 7.677 14.707 6.971 1.00 0.00 O ATOM 115 CB PRO A 8 8.738 16.071 4.629 1.00 0.00 C ATOM 116 CG PRO A 8 10.189 15.810 5.054 1.00 0.00 C ATOM 117 CD PRO A 8 10.482 16.809 6.175 1.00 0.00 C ATOM 0 HA PRO A 8 7.378 17.533 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.217 15.139 4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.694 16.681 3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.316 14.785 5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.873 15.950 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.924 16.306 7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.197 17.563 5.844 1.00 0.00 H new ATOM 125 N GLY A 9 6.119 16.313 7.176 1.00 0.00 N ATOM 126 CA GLY A 9 5.219 15.524 8.020 1.00 0.00 C ATOM 127 C GLY A 9 4.009 16.312 8.513 1.00 0.00 C ATOM 128 O GLY A 9 4.011 16.726 9.664 1.00 0.00 O ATOM 0 H GLY A 9 5.770 17.249 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.874 14.655 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.774 15.148 8.880 1.00 0.00 H new ATOM 132 N GLU A 10 2.996 16.495 7.645 1.00 0.00 N ATOM 133 CA GLU A 10 1.729 17.227 7.885 1.00 0.00 C ATOM 134 C GLU A 10 0.892 17.391 6.602 1.00 0.00 C ATOM 135 O GLU A 10 -0.329 17.438 6.686 1.00 0.00 O ATOM 136 CB GLU A 10 1.992 18.617 8.515 1.00 0.00 C ATOM 137 CG GLU A 10 1.745 18.649 10.042 1.00 0.00 C ATOM 138 CD GLU A 10 2.792 19.457 10.843 1.00 0.00 C ATOM 139 OE1 GLU A 10 3.330 20.443 10.291 1.00 0.00 O ATOM 140 OE2 GLU A 10 2.985 19.136 12.040 1.00 0.00 O ATOM 0 H GLU A 10 3.039 16.115 6.700 1.00 0.00 H new ATOM 0 HA GLU A 10 1.156 16.619 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.022 18.911 8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.350 19.355 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.758 19.071 10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.730 17.626 10.417 1.00 0.00 H new ATOM 147 N ASP A 11 1.549 17.429 5.433 1.00 0.00 N ATOM 148 CA ASP A 11 0.934 17.531 4.103 1.00 0.00 C ATOM 149 C ASP A 11 1.667 16.586 3.137 1.00 0.00 C ATOM 150 O ASP A 11 2.624 16.981 2.462 1.00 0.00 O ATOM 151 CB ASP A 11 0.940 19.005 3.610 1.00 0.00 C ATOM 152 CG ASP A 11 -0.442 19.671 3.612 1.00 0.00 C ATOM 153 OD1 ASP A 11 -1.377 19.023 3.080 1.00 0.00 O ATOM 154 OD2 ASP A 11 -0.551 20.843 4.056 1.00 0.00 O ATOM 0 H ASP A 11 2.567 17.388 5.388 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.111 17.224 4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.612 19.586 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.346 19.037 2.599 1.00 0.00 H new ATOM 159 N ALA A 12 1.275 15.305 3.105 1.00 0.00 N ATOM 160 CA ALA A 12 1.852 14.309 2.197 1.00 0.00 C ATOM 161 C ALA A 12 0.857 13.160 1.923 1.00 0.00 C ATOM 162 O ALA A 12 -0.197 13.108 2.569 1.00 0.00 O ATOM 163 CB ALA A 12 3.190 13.806 2.791 1.00 0.00 C ATOM 0 H ALA A 12 0.545 14.931 3.712 1.00 0.00 H new ATOM 0 HA ALA A 12 2.055 14.766 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.628 13.064 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.877 14.645 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.008 13.354 3.766 1.00 0.00 H new ATOM 169 N PRO A 13 1.146 12.240 0.976 1.00 0.00 N ATOM 170 CA PRO A 13 0.365 11.016 0.810 1.00 0.00 C ATOM 171 C PRO A 13 0.606 10.043 1.979 1.00 0.00 C ATOM 172 O PRO A 13 1.376 10.338 2.888 1.00 0.00 O ATOM 173 CB PRO A 13 0.782 10.452 -0.554 1.00 0.00 C ATOM 174 CG PRO A 13 2.172 11.032 -0.826 1.00 0.00 C ATOM 175 CD PRO A 13 2.309 12.233 0.109 1.00 0.00 C ATOM 0 HA PRO A 13 -0.710 11.197 0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.807 9.362 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.076 10.743 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.949 10.293 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.273 11.334 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.225 12.161 0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.368 13.160 -0.462 1.00 0.00 H new ATOM 183 N ALA A 14 -0.055 8.878 1.939 1.00 0.00 N ATOM 184 CA ALA A 14 0.022 7.790 2.924 1.00 0.00 C ATOM 185 C ALA A 14 -0.879 8.025 4.151 1.00 0.00 C ATOM 186 O ALA A 14 -0.475 7.819 5.291 1.00 0.00 O ATOM 187 CB ALA A 14 1.489 7.452 3.277 1.00 0.00 C ATOM 0 H ALA A 14 -0.694 8.657 1.175 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.390 6.897 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.510 6.644 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.018 7.141 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.975 8.333 3.696 1.00 0.00 H new ATOM 193 N GLU A 15 -2.138 8.418 3.902 1.00 0.00 N ATOM 194 CA GLU A 15 -3.122 8.759 4.942 1.00 0.00 C ATOM 195 C GLU A 15 -4.366 7.850 4.963 1.00 0.00 C ATOM 196 O GLU A 15 -5.234 7.990 5.818 1.00 0.00 O ATOM 197 CB GLU A 15 -3.509 10.248 4.799 1.00 0.00 C ATOM 198 CG GLU A 15 -3.035 11.046 6.020 1.00 0.00 C ATOM 199 CD GLU A 15 -3.250 12.558 5.864 1.00 0.00 C ATOM 200 OE1 GLU A 15 -4.318 12.950 5.347 1.00 0.00 O ATOM 201 OE2 GLU A 15 -2.341 13.300 6.299 1.00 0.00 O ATOM 0 H GLU A 15 -2.507 8.509 2.956 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.644 8.585 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.064 10.660 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.590 10.340 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.568 10.698 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.976 10.850 6.188 1.00 0.00 H new ATOM 208 N ASP A 16 -4.413 6.902 4.030 1.00 0.00 N ATOM 209 CA ASP A 16 -5.510 5.946 3.825 1.00 0.00 C ATOM 210 C ASP A 16 -4.985 4.790 2.952 1.00 0.00 C ATOM 211 O ASP A 16 -4.852 3.662 3.421 1.00 0.00 O ATOM 212 CB ASP A 16 -6.704 6.666 3.159 1.00 0.00 C ATOM 213 CG ASP A 16 -7.964 6.766 4.026 1.00 0.00 C ATOM 214 OD1 ASP A 16 -8.384 5.716 4.572 1.00 0.00 O ATOM 215 OD2 ASP A 16 -8.577 7.847 3.981 1.00 0.00 O ATOM 0 H ASP A 16 -3.653 6.769 3.362 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.858 5.541 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.392 7.672 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.956 6.143 2.237 1.00 0.00 H new ATOM 220 N LEU A 17 -4.591 5.107 1.705 1.00 0.00 N ATOM 221 CA LEU A 17 -4.067 4.160 0.703 1.00 0.00 C ATOM 222 C LEU A 17 -2.915 3.291 1.227 1.00 0.00 C ATOM 223 O LEU A 17 -2.720 2.154 0.793 1.00 0.00 O ATOM 224 CB LEU A 17 -3.760 4.922 -0.612 1.00 0.00 C ATOM 225 CG LEU A 17 -2.301 5.287 -0.992 1.00 0.00 C ATOM 226 CD1 LEU A 17 -1.526 6.034 0.104 1.00 0.00 C ATOM 227 CD2 LEU A 17 -1.493 4.087 -1.511 1.00 0.00 C ATOM 0 H LEU A 17 -4.630 6.064 1.355 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.838 3.423 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.165 4.327 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.327 5.853 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.420 5.990 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.517 6.249 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.036 6.969 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.475 5.415 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.482 4.409 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.450 3.317 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.974 3.683 -2.402 1.00 0.00 H new ATOM 239 N ALA A 18 -2.170 3.813 2.207 1.00 0.00 N ATOM 240 CA ALA A 18 -1.107 3.138 2.924 1.00 0.00 C ATOM 241 C ALA A 18 -1.633 1.909 3.667 1.00 0.00 C ATOM 242 O ALA A 18 -1.112 0.804 3.490 1.00 0.00 O ATOM 243 CB ALA A 18 -0.467 4.140 3.892 1.00 0.00 C ATOM 0 H ALA A 18 -2.308 4.770 2.531 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.358 2.780 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.337 3.651 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.062 4.982 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.220 4.500 4.593 1.00 0.00 H new ATOM 249 N GLN A 19 -2.689 2.097 4.466 1.00 0.00 N ATOM 250 CA GLN A 19 -3.362 0.996 5.133 1.00 0.00 C ATOM 251 C GLN A 19 -4.181 0.172 4.141 1.00 0.00 C ATOM 252 O GLN A 19 -4.321 -1.023 4.342 1.00 0.00 O ATOM 253 CB GLN A 19 -4.262 1.497 6.283 1.00 0.00 C ATOM 254 CG GLN A 19 -3.911 0.773 7.593 1.00 0.00 C ATOM 255 CD GLN A 19 -5.076 0.616 8.570 1.00 0.00 C ATOM 256 OE1 GLN A 19 -6.245 0.467 8.213 1.00 0.00 O ATOM 257 NE2 GLN A 19 -4.788 0.601 9.857 1.00 0.00 N ATOM 0 H GLN A 19 -3.093 3.013 4.662 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.590 0.357 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.136 2.572 6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.309 1.325 6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.521 -0.216 7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.109 1.319 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.823 0.723 10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.530 0.467 10.544 1.00 0.00 H new ATOM 266 N TYR A 20 -4.679 0.763 3.046 1.00 0.00 N ATOM 267 CA TYR A 20 -5.444 0.045 2.020 1.00 0.00 C ATOM 268 C TYR A 20 -4.584 -1.058 1.396 1.00 0.00 C ATOM 269 O TYR A 20 -5.004 -2.213 1.345 1.00 0.00 O ATOM 270 CB TYR A 20 -5.943 1.034 0.957 1.00 0.00 C ATOM 271 CG TYR A 20 -6.961 2.068 1.402 1.00 0.00 C ATOM 272 CD1 TYR A 20 -7.427 2.124 2.733 1.00 0.00 C ATOM 273 CD2 TYR A 20 -7.459 2.987 0.452 1.00 0.00 C ATOM 274 CE1 TYR A 20 -8.374 3.086 3.110 1.00 0.00 C ATOM 275 CE2 TYR A 20 -8.418 3.945 0.826 1.00 0.00 C ATOM 276 CZ TYR A 20 -8.890 3.986 2.156 1.00 0.00 C ATOM 277 OH TYR A 20 -9.775 4.923 2.560 1.00 0.00 O ATOM 0 H TYR A 20 -4.561 1.757 2.847 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.312 -0.428 2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.079 1.561 0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.378 0.461 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.052 1.423 3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.101 2.954 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.710 3.138 4.135 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.793 4.648 0.097 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.679 5.069 3.524 1.00 0.00 H new ATOM 287 N ALA A 21 -3.349 -0.722 1.003 1.00 0.00 N ATOM 288 CA ALA A 21 -2.399 -1.716 0.531 1.00 0.00 C ATOM 289 C ALA A 21 -2.089 -2.782 1.596 1.00 0.00 C ATOM 290 O ALA A 21 -1.867 -3.933 1.230 1.00 0.00 O ATOM 291 CB ALA A 21 -1.132 -1.009 0.034 1.00 0.00 C ATOM 0 H ALA A 21 -2.992 0.233 1.006 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.848 -2.258 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.417 -1.751 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.389 -0.333 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.689 -0.440 0.851 1.00 0.00 H new ATOM 297 N ALA A 22 -2.112 -2.434 2.891 1.00 0.00 N ATOM 298 CA ALA A 22 -1.849 -3.335 4.015 1.00 0.00 C ATOM 299 C ALA A 22 -3.027 -4.276 4.296 1.00 0.00 C ATOM 300 O ALA A 22 -2.820 -5.475 4.403 1.00 0.00 O ATOM 301 CB ALA A 22 -1.510 -2.513 5.263 1.00 0.00 C ATOM 0 H ALA A 22 -2.322 -1.482 3.192 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.000 -3.964 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.314 -3.185 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.625 -1.907 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.349 -1.862 5.509 1.00 0.00 H new ATOM 307 N ASP A 23 -4.258 -3.755 4.371 1.00 0.00 N ATOM 308 CA ASP A 23 -5.501 -4.521 4.509 1.00 0.00 C ATOM 309 C ASP A 23 -5.595 -5.540 3.374 1.00 0.00 C ATOM 310 O ASP A 23 -5.764 -6.734 3.624 1.00 0.00 O ATOM 311 CB ASP A 23 -6.718 -3.579 4.501 1.00 0.00 C ATOM 312 CG ASP A 23 -7.785 -3.984 5.519 1.00 0.00 C ATOM 313 OD1 ASP A 23 -8.334 -5.097 5.364 1.00 0.00 O ATOM 314 OD2 ASP A 23 -8.060 -3.163 6.424 1.00 0.00 O ATOM 0 H ASP A 23 -4.421 -2.749 4.336 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.496 -5.050 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.387 -2.562 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.158 -3.569 3.504 1.00 0.00 H new ATOM 319 N LEU A 24 -5.379 -5.091 2.128 1.00 0.00 N ATOM 320 CA LEU A 24 -5.365 -5.995 0.982 1.00 0.00 C ATOM 321 C LEU A 24 -4.226 -7.024 1.083 1.00 0.00 C ATOM 322 O LEU A 24 -4.476 -8.205 0.848 1.00 0.00 O ATOM 323 CB LEU A 24 -5.358 -5.206 -0.340 1.00 0.00 C ATOM 324 CG LEU A 24 -6.641 -4.383 -0.617 1.00 0.00 C ATOM 325 CD1 LEU A 24 -6.734 -4.065 -2.113 1.00 0.00 C ATOM 326 CD2 LEU A 24 -7.936 -5.074 -0.178 1.00 0.00 C ATOM 0 H LEU A 24 -5.213 -4.112 1.895 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.287 -6.576 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.504 -4.529 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.208 -5.905 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.550 -3.476 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.637 -3.486 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.861 -3.488 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.770 -4.995 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.787 -4.432 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.042 -6.020 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.902 -5.262 0.895 1.00 0.00 H new ATOM 338 N ARG A 25 -3.019 -6.621 1.507 1.00 0.00 N ATOM 339 CA ARG A 25 -1.902 -7.537 1.804 1.00 0.00 C ATOM 340 C ARG A 25 -2.235 -8.558 2.891 1.00 0.00 C ATOM 341 O ARG A 25 -1.824 -9.703 2.772 1.00 0.00 O ATOM 342 CB ARG A 25 -0.640 -6.733 2.183 1.00 0.00 C ATOM 343 CG ARG A 25 0.406 -6.705 1.051 1.00 0.00 C ATOM 344 CD ARG A 25 1.609 -7.608 1.375 1.00 0.00 C ATOM 345 NE ARG A 25 2.037 -8.436 0.231 1.00 0.00 N ATOM 346 CZ ARG A 25 3.181 -9.092 0.125 1.00 0.00 C ATOM 347 NH1 ARG A 25 4.121 -8.983 1.031 1.00 0.00 N ATOM 348 NH2 ARG A 25 3.406 -9.890 -0.892 1.00 0.00 N ATOM 0 H ARG A 25 -2.786 -5.639 1.656 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.712 -8.107 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.926 -5.712 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.192 -7.167 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.055 -7.032 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.749 -5.682 0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.444 -6.987 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.352 -8.259 2.211 1.00 0.00 H new ATOM 0 HE ARG A 25 1.389 -8.510 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.980 -8.381 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.994 -9.500 0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.695 -10.010 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.292 -10.390 -0.962 1.00 0.00 H new ATOM 362 N HIS A 26 -2.985 -8.166 3.922 1.00 0.00 N ATOM 363 CA HIS A 26 -3.434 -9.033 5.006 1.00 0.00 C ATOM 364 C HIS A 26 -4.486 -10.020 4.510 1.00 0.00 C ATOM 365 O HIS A 26 -4.310 -11.226 4.656 1.00 0.00 O ATOM 366 CB HIS A 26 -3.955 -8.186 6.172 1.00 0.00 C ATOM 367 CG HIS A 26 -4.302 -9.013 7.382 1.00 0.00 C ATOM 368 ND1 HIS A 26 -3.459 -9.287 8.441 1.00 0.00 N ATOM 369 CD2 HIS A 26 -5.490 -9.643 7.622 1.00 0.00 C ATOM 370 CE1 HIS A 26 -4.133 -10.072 9.300 1.00 0.00 C ATOM 371 NE2 HIS A 26 -5.374 -10.312 8.844 1.00 0.00 N ATOM 0 H HIS A 26 -3.306 -7.203 4.026 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.588 -9.619 5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.200 -7.448 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.838 -7.634 5.849 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.501 -8.955 8.551 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.361 -9.627 6.984 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.733 -10.456 10.227 1.00 0.00 H new ATOM 378 N TYR A 27 -5.561 -9.516 3.884 1.00 0.00 N ATOM 379 CA TYR A 27 -6.619 -10.324 3.288 1.00 0.00 C ATOM 380 C TYR A 27 -6.032 -11.369 2.339 1.00 0.00 C ATOM 381 O TYR A 27 -6.301 -12.554 2.497 1.00 0.00 O ATOM 382 CB TYR A 27 -7.653 -9.418 2.576 1.00 0.00 C ATOM 383 CG TYR A 27 -9.095 -9.782 2.848 1.00 0.00 C ATOM 384 CD1 TYR A 27 -9.637 -9.544 4.126 1.00 0.00 C ATOM 385 CD2 TYR A 27 -9.911 -10.311 1.828 1.00 0.00 C ATOM 386 CE1 TYR A 27 -10.983 -9.852 4.396 1.00 0.00 C ATOM 387 CE2 TYR A 27 -11.264 -10.616 2.088 1.00 0.00 C ATOM 388 CZ TYR A 27 -11.804 -10.394 3.374 1.00 0.00 C ATOM 389 OH TYR A 27 -13.104 -10.705 3.624 1.00 0.00 O ATOM 0 H TYR A 27 -5.716 -8.513 3.780 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.140 -10.861 4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.487 -8.386 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.477 -9.461 1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.016 -9.123 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.500 -10.483 0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.391 -9.676 5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.887 -11.019 1.303 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.517 -11.064 2.811 1.00 0.00 H new ATOM 399 N ILE A 28 -5.170 -10.964 1.399 1.00 0.00 N ATOM 400 CA ILE A 28 -4.517 -11.905 0.480 1.00 0.00 C ATOM 401 C ILE A 28 -3.734 -12.984 1.230 1.00 0.00 C ATOM 402 O ILE A 28 -3.879 -14.155 0.896 1.00 0.00 O ATOM 403 CB ILE A 28 -3.673 -11.151 -0.576 1.00 0.00 C ATOM 404 CG1 ILE A 28 -4.080 -11.557 -2.008 1.00 0.00 C ATOM 405 CG2 ILE A 28 -2.146 -11.250 -0.396 1.00 0.00 C ATOM 406 CD1 ILE A 28 -3.876 -10.405 -2.999 1.00 0.00 C ATOM 0 H ILE A 28 -4.908 -9.989 1.254 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.292 -12.440 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.908 -10.100 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.492 -12.418 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.126 -11.865 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.649 -10.688 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.866 -10.837 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.841 -12.295 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.173 -10.727 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.485 -9.553 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.825 -10.115 -3.009 1.00 0.00 H new ATOM 417 N ASN A 29 -2.953 -12.611 2.254 1.00 0.00 N ATOM 418 CA ASN A 29 -2.210 -13.558 3.089 1.00 0.00 C ATOM 419 C ASN A 29 -3.123 -14.486 3.903 1.00 0.00 C ATOM 420 O ASN A 29 -2.737 -15.607 4.210 1.00 0.00 O ATOM 421 CB ASN A 29 -1.249 -12.806 4.037 1.00 0.00 C ATOM 422 CG ASN A 29 0.233 -13.093 3.795 1.00 0.00 C ATOM 423 OD1 ASN A 29 0.623 -13.867 2.940 1.00 0.00 O ATOM 424 ND2 ASN A 29 1.086 -12.453 4.558 1.00 0.00 N ATOM 0 H ASN A 29 -2.820 -11.637 2.526 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.639 -14.187 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.420 -11.735 3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.494 -13.069 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.088 -12.601 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.747 -11.807 5.271 1.00 0.00 H new ATOM 431 N LEU A 30 -4.334 -14.034 4.240 1.00 0.00 N ATOM 432 CA LEU A 30 -5.376 -14.831 4.881 1.00 0.00 C ATOM 433 C LEU A 30 -6.008 -15.816 3.896 1.00 0.00 C ATOM 434 O LEU A 30 -6.032 -17.015 4.174 1.00 0.00 O ATOM 435 CB LEU A 30 -6.435 -13.898 5.493 1.00 0.00 C ATOM 436 CG LEU A 30 -6.267 -13.674 7.002 1.00 0.00 C ATOM 437 CD1 LEU A 30 -7.336 -12.683 7.470 1.00 0.00 C ATOM 438 CD2 LEU A 30 -6.431 -14.982 7.787 1.00 0.00 C ATOM 0 H LEU A 30 -4.623 -13.071 4.067 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.925 -15.422 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.393 -12.934 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.425 -14.315 5.305 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.264 -13.289 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.230 -12.513 8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.214 -11.739 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.326 -13.091 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.306 -14.785 8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.425 -15.391 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.679 -15.700 7.460 1.00 0.00 H new ATOM 450 N ILE A 31 -6.479 -15.328 2.738 1.00 0.00 N ATOM 451 CA ILE A 31 -7.049 -16.170 1.687 1.00 0.00 C ATOM 452 C ILE A 31 -5.998 -17.183 1.219 1.00 0.00 C ATOM 453 O ILE A 31 -6.313 -18.367 1.188 1.00 0.00 O ATOM 454 CB ILE A 31 -7.666 -15.345 0.524 1.00 0.00 C ATOM 455 CG1 ILE A 31 -9.059 -14.789 0.895 1.00 0.00 C ATOM 456 CG2 ILE A 31 -7.832 -16.206 -0.747 1.00 0.00 C ATOM 457 CD1 ILE A 31 -9.012 -13.519 1.737 1.00 0.00 C ATOM 0 H ILE A 31 -6.473 -14.334 2.508 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.891 -16.723 2.103 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.975 -14.523 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -9.614 -14.586 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.612 -15.554 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.266 -15.600 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.858 -16.578 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.490 -17.048 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.028 -13.190 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.486 -13.720 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.489 -12.737 1.187 1.00 0.00 H new ATOM 468 N THR A 32 -4.774 -16.763 0.885 1.00 0.00 N ATOM 469 CA THR A 32 -3.696 -17.665 0.427 1.00 0.00 C ATOM 470 C THR A 32 -3.424 -18.817 1.394 1.00 0.00 C ATOM 471 O THR A 32 -3.028 -19.899 0.973 1.00 0.00 O ATOM 472 CB THR A 32 -2.409 -16.896 0.081 1.00 0.00 C ATOM 473 OG1 THR A 32 -1.835 -17.470 -1.069 1.00 0.00 O ATOM 474 CG2 THR A 32 -1.350 -16.851 1.181 1.00 0.00 C ATOM 0 H THR A 32 -4.495 -15.783 0.923 1.00 0.00 H new ATOM 0 HA THR A 32 -4.062 -18.122 -0.493 1.00 0.00 H new ATOM 0 HB THR A 32 -2.720 -15.862 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.014 -16.987 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.486 -16.285 0.832 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.765 -16.370 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.042 -17.866 1.431 1.00 0.00 H new ATOM 482 N ARG A 33 -3.709 -18.605 2.683 1.00 0.00 N ATOM 483 CA ARG A 33 -3.627 -19.621 3.735 1.00 0.00 C ATOM 484 C ARG A 33 -4.796 -20.611 3.774 1.00 0.00 C ATOM 485 O ARG A 33 -4.835 -21.432 4.680 1.00 0.00 O ATOM 486 CB ARG A 33 -3.398 -18.910 5.085 1.00 0.00 C ATOM 487 CG ARG A 33 -2.152 -19.469 5.796 1.00 0.00 C ATOM 488 CD ARG A 33 -1.499 -18.409 6.680 1.00 0.00 C ATOM 489 NE ARG A 33 -0.231 -18.921 7.217 1.00 0.00 N ATOM 490 CZ ARG A 33 0.482 -18.418 8.220 1.00 0.00 C ATOM 491 NH1 ARG A 33 0.058 -17.366 8.892 1.00 0.00 N ATOM 492 NH2 ARG A 33 1.620 -18.959 8.555 1.00 0.00 N ATOM 0 H ARG A 33 -4.012 -17.696 3.032 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.778 -20.265 3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.278 -17.839 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.273 -19.039 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.432 -20.330 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.434 -19.821 5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.320 -17.501 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.169 -18.141 7.497 1.00 0.00 H new ATOM 0 HE ARG A 33 0.145 -19.757 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.829 -16.926 8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.616 -16.992 9.659 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.967 -19.772 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.163 -18.569 9.325 1.00 0.00 H new ATOM 506 N GLN A 34 -5.724 -20.533 2.809 1.00 0.00 N ATOM 507 CA GLN A 34 -6.973 -21.301 2.704 1.00 0.00 C ATOM 508 C GLN A 34 -7.334 -21.706 1.259 1.00 0.00 C ATOM 509 O GLN A 34 -7.754 -22.845 1.037 1.00 0.00 O ATOM 510 CB GLN A 34 -8.130 -20.473 3.290 1.00 0.00 C ATOM 511 CG GLN A 34 -8.087 -20.320 4.819 1.00 0.00 C ATOM 512 CD GLN A 34 -8.292 -21.650 5.542 1.00 0.00 C ATOM 513 OE1 GLN A 34 -9.525 -22.012 5.859 1.00 0.00 O flip ATOM 514 NE2 GLN A 34 -7.369 -22.388 5.836 1.00 0.00 N flip ATOM 0 H GLN A 34 -5.614 -19.887 2.027 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.816 -22.223 3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.118 -19.482 2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.074 -20.940 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.127 -19.894 5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.858 -19.616 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.412 -22.126 5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.553 -23.268 6.318 1.00 0.00 H new ATOM 523 N ARG A 35 -7.179 -20.811 0.264 1.00 0.00 N ATOM 524 CA ARG A 35 -7.261 -21.148 -1.165 1.00 0.00 C ATOM 525 C ARG A 35 -6.298 -22.286 -1.498 1.00 0.00 C ATOM 526 O ARG A 35 -5.352 -22.530 -0.753 1.00 0.00 O ATOM 527 CB ARG A 35 -6.979 -19.915 -2.051 1.00 0.00 C ATOM 528 CG ARG A 35 -5.693 -19.165 -1.744 1.00 0.00 C ATOM 529 CD ARG A 35 -4.916 -18.568 -2.936 1.00 0.00 C ATOM 530 NE ARG A 35 -4.842 -17.093 -2.893 1.00 0.00 N ATOM 531 CZ ARG A 35 -4.295 -16.299 -3.808 1.00 0.00 C ATOM 532 NH1 ARG A 35 -3.788 -16.774 -4.926 1.00 0.00 N ATOM 533 NH2 ARG A 35 -4.266 -15.001 -3.612 1.00 0.00 N ATOM 0 H ARG A 35 -6.991 -19.823 0.435 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.278 -21.479 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.951 -20.237 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.815 -19.222 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.933 -18.353 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.026 -19.844 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.906 -18.977 -2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.394 -18.876 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.253 -16.637 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.808 -17.777 -5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.375 -16.139 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.662 -14.605 -2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.847 -14.389 -4.312 1.00 0.00 H new ATOM 547 N TYR A 36 -6.529 -22.967 -2.623 1.00 0.00 N ATOM 548 CA TYR A 36 -5.750 -24.097 -3.137 1.00 0.00 C ATOM 549 C TYR A 36 -5.433 -25.217 -2.109 1.00 0.00 C ATOM 550 O TYR A 36 -4.606 -26.096 -2.349 1.00 0.00 O ATOM 551 CB TYR A 36 -4.517 -23.572 -3.910 1.00 0.00 C ATOM 552 CG TYR A 36 -3.364 -23.050 -3.067 1.00 0.00 C ATOM 553 CD1 TYR A 36 -3.325 -21.702 -2.679 1.00 0.00 C ATOM 554 CD2 TYR A 36 -2.340 -23.908 -2.657 1.00 0.00 C ATOM 555 CE1 TYR A 36 -2.301 -21.212 -1.845 1.00 0.00 C ATOM 556 CE2 TYR A 36 -1.298 -23.432 -1.830 1.00 0.00 C ATOM 557 CZ TYR A 36 -1.284 -22.082 -1.418 1.00 0.00 C ATOM 558 OH TYR A 36 -0.257 -21.617 -0.660 1.00 0.00 O ATOM 0 H TYR A 36 -7.310 -22.731 -3.235 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.392 -24.629 -3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.142 -24.377 -4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.845 -22.772 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.094 -21.028 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.345 -24.940 -2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.298 -20.177 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.512 -24.101 -1.513 1.00 0.00 H new ATOM 0 HH TYR A 36 0.356 -22.353 -0.453 1.00 0.00 H new HETATM 568 N NH2 A 37 -6.082 -25.267 -0.955 1.00 0.00 N TER 571 NH2 A 37