USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 531 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -160:sc= -1.02 USER MOD Single : A -1 GLY N :NH3+ -117:sc= 0.0739 (180deg=0) USER MOD Single : A 10 SER OG : rot 99:sc= -0.0235 USER MOD Single : A 12 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.52) USER MOD Single : A 23 ASN : amide:sc= -3.42 K(o=-3.4,f=-2.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00579 USER MOD Single : A 32 GLN : amide:sc= 0.068 K(o=0.068,f=-1) USER MOD Single : A 33 GLN : amide:sc= -2.61 K(o=-2.6,f=-0.86) USER MOD Single : A 35 SER OG : rot 176:sc= -4.8! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.43! C(o=-1.4!,f=-0.87!) USER MOD Single : A 44 GLN : amide:sc= -8.03! K(o=-8!,f=-0.55) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.5!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0394) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 24.150 -14.789 15.144 1.00 0.00 N ATOM 2 CA GLY A -1 22.771 -15.081 15.619 1.00 0.00 C ATOM 3 C GLY A -1 22.244 -14.020 16.566 1.00 0.00 C ATOM 4 O GLY A -1 22.975 -13.110 16.957 1.00 0.00 O ATOM 0 H1 GLY A -1 24.140 -14.652 14.113 1.00 0.00 H new ATOM 0 H2 GLY A -1 24.500 -13.925 15.605 1.00 0.00 H new ATOM 0 H3 GLY A -1 24.775 -15.586 15.381 1.00 0.00 H new ATOM 0 HA2 GLY A -1 22.104 -15.160 14.761 1.00 0.00 H new ATOM 0 HA3 GLY A -1 22.761 -16.048 16.121 1.00 0.00 H new ATOM 10 N ASP A 0 20.973 -14.137 16.936 1.00 0.00 N ATOM 11 CA ASP A 0 20.351 -13.180 17.842 1.00 0.00 C ATOM 12 C ASP A 0 19.503 -13.894 18.890 1.00 0.00 C ATOM 13 O ASP A 0 19.123 -15.051 18.712 1.00 0.00 O ATOM 14 CB ASP A 0 19.488 -12.189 17.055 1.00 0.00 C ATOM 15 CG ASP A 0 20.133 -10.822 16.944 1.00 0.00 C ATOM 16 OD1 ASP A 0 21.368 -10.762 16.764 1.00 0.00 O ATOM 17 OD2 ASP A 0 19.405 -9.812 17.035 1.00 0.00 O ATOM 0 H ASP A 0 20.354 -14.885 16.622 1.00 0.00 H new ATOM 0 HA ASP A 0 21.143 -12.634 18.355 1.00 0.00 H new ATOM 0 HB2 ASP A 0 19.306 -12.584 16.056 1.00 0.00 H new ATOM 0 HB3 ASP A 0 18.517 -12.091 17.541 1.00 0.00 H new ATOM 22 N GLU A 1 19.212 -13.195 19.982 1.00 0.00 N ATOM 23 CA GLU A 1 18.410 -13.762 21.060 1.00 0.00 C ATOM 24 C GLU A 1 17.506 -12.697 21.681 1.00 0.00 C ATOM 25 O GLU A 1 17.431 -12.562 22.903 1.00 0.00 O ATOM 26 CB GLU A 1 19.318 -14.380 22.128 1.00 0.00 C ATOM 27 CG GLU A 1 19.193 -15.891 22.229 1.00 0.00 C ATOM 28 CD GLU A 1 20.318 -16.519 23.027 1.00 0.00 C ATOM 29 OE1 GLU A 1 20.577 -16.051 24.157 1.00 0.00 O ATOM 30 OE2 GLU A 1 20.940 -17.478 22.524 1.00 0.00 O ATOM 0 H GLU A 1 19.519 -12.236 20.144 1.00 0.00 H new ATOM 0 HA GLU A 1 17.777 -14.545 20.642 1.00 0.00 H new ATOM 0 HB2 GLU A 1 20.354 -14.123 21.906 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.080 -13.938 23.096 1.00 0.00 H new ATOM 0 HG2 GLU A 1 18.239 -16.142 22.693 1.00 0.00 H new ATOM 0 HG3 GLU A 1 19.182 -16.318 21.226 1.00 0.00 H new ATOM 37 N LYS A 2 16.823 -11.942 20.827 1.00 0.00 N ATOM 38 CA LYS A 2 15.924 -10.889 21.286 1.00 0.00 C ATOM 39 C LYS A 2 14.867 -10.579 20.230 1.00 0.00 C ATOM 40 O LYS A 2 14.663 -9.422 19.861 1.00 0.00 O ATOM 41 CB LYS A 2 16.717 -9.624 21.622 1.00 0.00 C ATOM 42 CG LYS A 2 15.946 -8.631 22.477 1.00 0.00 C ATOM 43 CD LYS A 2 16.424 -8.647 23.920 1.00 0.00 C ATOM 44 CE LYS A 2 16.141 -7.326 24.616 1.00 0.00 C ATOM 45 NZ LYS A 2 17.144 -6.285 24.259 1.00 0.00 N ATOM 0 H LYS A 2 16.875 -12.040 19.813 1.00 0.00 H new ATOM 0 HA LYS A 2 15.419 -11.241 22.186 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.631 -9.906 22.144 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.017 -9.136 20.695 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.062 -7.628 22.066 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.883 -8.869 22.442 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.931 -9.456 24.459 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.494 -8.852 23.947 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.144 -6.978 24.344 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.142 -7.477 25.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.916 -5.399 24.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.092 -6.605 24.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.125 -6.122 23.232 1.00 0.00 H new ATOM 59 N ARG A 3 14.200 -11.621 19.745 1.00 0.00 N ATOM 60 CA ARG A 3 13.167 -11.460 18.729 1.00 0.00 C ATOM 61 C ARG A 3 11.928 -12.288 19.070 1.00 0.00 C ATOM 62 O ARG A 3 11.992 -13.516 19.126 1.00 0.00 O ATOM 63 CB ARG A 3 13.705 -11.873 17.361 1.00 0.00 C ATOM 64 CG ARG A 3 14.902 -11.055 16.904 1.00 0.00 C ATOM 65 CD ARG A 3 14.879 -10.827 15.401 1.00 0.00 C ATOM 66 NE ARG A 3 15.705 -9.687 15.008 1.00 0.00 N ATOM 67 CZ ARG A 3 17.025 -9.747 14.852 1.00 0.00 C ATOM 68 NH1 ARG A 3 17.676 -10.884 15.063 1.00 0.00 N ATOM 69 NH2 ARG A 3 17.698 -8.664 14.487 1.00 0.00 N ATOM 0 H ARG A 3 14.356 -12.585 20.039 1.00 0.00 H new ATOM 0 HA ARG A 3 12.882 -10.408 18.702 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.986 -12.926 17.393 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.908 -11.779 16.623 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.906 -10.094 17.419 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.823 -11.569 17.181 1.00 0.00 H new ATOM 0 HD2 ARG A 3 15.233 -11.724 14.893 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.852 -10.660 15.075 1.00 0.00 H new ATOM 0 HE ARG A 3 15.242 -8.793 14.844 1.00 0.00 H new ATOM 0 HH11 ARG A 3 17.164 -11.720 15.347 1.00 0.00 H new ATOM 0 HH12 ARG A 3 18.688 -10.922 14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 3 17.204 -7.786 14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 3 18.710 -8.709 14.367 1.00 0.00 H new ATOM 83 N PRO A 4 10.779 -11.628 19.306 1.00 0.00 N ATOM 84 CA PRO A 4 9.528 -12.303 19.645 1.00 0.00 C ATOM 85 C PRO A 4 8.833 -12.877 18.417 1.00 0.00 C ATOM 86 O PRO A 4 9.436 -13.013 17.352 1.00 0.00 O ATOM 87 CB PRO A 4 8.668 -11.191 20.275 1.00 0.00 C ATOM 88 CG PRO A 4 9.531 -9.967 20.305 1.00 0.00 C ATOM 89 CD PRO A 4 10.597 -10.177 19.272 1.00 0.00 C ATOM 0 HA PRO A 4 9.695 -13.152 20.307 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.765 -11.017 19.689 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.348 -11.467 21.280 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.946 -9.074 20.084 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.970 -9.825 21.293 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.284 -9.829 18.288 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.516 -9.646 19.521 1.00 0.00 H new ATOM 97 N ARG A 5 7.558 -13.210 18.577 1.00 0.00 N ATOM 98 CA ARG A 5 6.763 -13.770 17.490 1.00 0.00 C ATOM 99 C ARG A 5 5.275 -13.535 17.738 1.00 0.00 C ATOM 100 O ARG A 5 4.488 -14.480 17.798 1.00 0.00 O ATOM 101 CB ARG A 5 7.031 -15.272 17.351 1.00 0.00 C ATOM 102 CG ARG A 5 8.421 -15.608 16.834 1.00 0.00 C ATOM 103 CD ARG A 5 8.635 -15.087 15.422 1.00 0.00 C ATOM 104 NE ARG A 5 8.664 -16.168 14.439 1.00 0.00 N ATOM 105 CZ ARG A 5 9.148 -16.038 13.207 1.00 0.00 C ATOM 106 NH1 ARG A 5 9.646 -14.875 12.801 1.00 0.00 N ATOM 107 NH2 ARG A 5 9.136 -17.072 12.377 1.00 0.00 N ATOM 0 H ARG A 5 7.050 -13.101 19.455 1.00 0.00 H new ATOM 0 HA ARG A 5 7.051 -13.269 16.566 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.891 -15.747 18.322 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.290 -15.702 16.677 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.171 -15.178 17.498 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.564 -16.688 16.849 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.838 -14.388 15.169 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.572 -14.532 15.378 1.00 0.00 H new ATOM 0 HE ARG A 5 8.291 -17.076 14.714 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.658 -14.076 13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.016 -14.781 11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.755 -17.967 12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.507 -16.972 11.432 1.00 0.00 H new ATOM 121 N THR A 6 4.894 -12.270 17.889 1.00 0.00 N ATOM 122 CA THR A 6 3.499 -11.924 18.140 1.00 0.00 C ATOM 123 C THR A 6 3.125 -10.610 17.463 1.00 0.00 C ATOM 124 O THR A 6 2.126 -10.527 16.748 1.00 0.00 O ATOM 125 CB THR A 6 3.244 -11.831 19.646 1.00 0.00 C ATOM 126 OG1 THR A 6 1.854 -11.786 19.920 1.00 0.00 O ATOM 127 CG2 THR A 6 3.880 -10.623 20.301 1.00 0.00 C ATOM 0 H THR A 6 5.527 -11.472 17.842 1.00 0.00 H new ATOM 0 HA THR A 6 2.874 -12.711 17.717 1.00 0.00 H new ATOM 0 HB THR A 6 3.703 -12.727 20.064 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.713 -11.728 20.888 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.655 -10.627 21.367 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.960 -10.658 20.158 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.484 -9.713 19.850 1.00 0.00 H new ATOM 135 N ALA A 7 3.934 -9.588 17.697 1.00 0.00 N ATOM 136 CA ALA A 7 3.698 -8.274 17.118 1.00 0.00 C ATOM 137 C ALA A 7 4.592 -8.050 15.908 1.00 0.00 C ATOM 138 O ALA A 7 4.116 -7.771 14.808 1.00 0.00 O ATOM 139 CB ALA A 7 3.938 -7.191 18.158 1.00 0.00 C ATOM 0 H ALA A 7 4.764 -9.644 18.287 1.00 0.00 H new ATOM 0 HA ALA A 7 2.660 -8.224 16.790 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.758 -6.213 17.713 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.260 -7.337 18.999 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.968 -7.246 18.509 1.00 0.00 H new ATOM 145 N PHE A 8 5.896 -8.182 16.124 1.00 0.00 N ATOM 146 CA PHE A 8 6.879 -8.005 15.065 1.00 0.00 C ATOM 147 C PHE A 8 8.285 -7.983 15.649 1.00 0.00 C ATOM 148 O PHE A 8 8.647 -7.074 16.394 1.00 0.00 O ATOM 149 CB PHE A 8 6.619 -6.721 14.264 1.00 0.00 C ATOM 150 CG PHE A 8 5.997 -5.594 15.047 1.00 0.00 C ATOM 151 CD1 PHE A 8 6.245 -5.431 16.402 1.00 0.00 C ATOM 152 CD2 PHE A 8 5.163 -4.688 14.411 1.00 0.00 C ATOM 153 CE1 PHE A 8 5.671 -4.389 17.105 1.00 0.00 C ATOM 154 CE2 PHE A 8 4.587 -3.644 15.108 1.00 0.00 C ATOM 155 CZ PHE A 8 4.841 -3.494 16.457 1.00 0.00 C ATOM 0 H PHE A 8 6.298 -8.413 17.032 1.00 0.00 H new ATOM 0 HA PHE A 8 6.788 -8.850 14.382 1.00 0.00 H new ATOM 0 HB2 PHE A 8 7.564 -6.374 13.846 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.968 -6.961 13.423 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.894 -6.126 16.913 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.961 -4.800 13.356 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.871 -4.274 18.160 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.939 -2.946 14.599 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.392 -2.679 17.005 1.00 0.00 H new ATOM 165 N SER A 9 9.072 -8.998 15.320 1.00 0.00 N ATOM 166 CA SER A 9 10.431 -9.092 15.835 1.00 0.00 C ATOM 167 C SER A 9 11.438 -8.381 14.939 1.00 0.00 C ATOM 168 O SER A 9 12.572 -8.832 14.784 1.00 0.00 O ATOM 169 CB SER A 9 10.826 -10.557 16.031 1.00 0.00 C ATOM 170 OG SER A 9 11.508 -11.064 14.896 1.00 0.00 O ATOM 0 H SER A 9 8.796 -9.762 14.704 1.00 0.00 H new ATOM 0 HA SER A 9 10.448 -8.586 16.800 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.462 -10.649 16.911 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.934 -11.154 16.218 1.00 0.00 H new ATOM 0 HG SER A 9 11.469 -12.043 14.901 1.00 0.00 H new ATOM 176 N SER A 10 11.003 -7.266 14.360 1.00 0.00 N ATOM 177 CA SER A 10 11.834 -6.447 13.471 1.00 0.00 C ATOM 178 C SER A 10 11.676 -6.897 12.031 1.00 0.00 C ATOM 179 O SER A 10 11.773 -6.099 11.099 1.00 0.00 O ATOM 180 CB SER A 10 13.307 -6.518 13.869 1.00 0.00 C ATOM 181 OG SER A 10 13.462 -6.455 15.276 1.00 0.00 O ATOM 0 H SER A 10 10.060 -6.900 14.492 1.00 0.00 H new ATOM 0 HA SER A 10 11.498 -5.415 13.566 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.743 -7.444 13.494 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.852 -5.697 13.403 1.00 0.00 H new ATOM 0 HG SER A 10 13.589 -7.359 15.632 1.00 0.00 H new ATOM 187 N GLU A 11 11.424 -8.182 11.864 1.00 0.00 N ATOM 188 CA GLU A 11 11.239 -8.758 10.539 1.00 0.00 C ATOM 189 C GLU A 11 10.003 -8.161 9.888 1.00 0.00 C ATOM 190 O GLU A 11 9.966 -7.931 8.680 1.00 0.00 O ATOM 191 CB GLU A 11 11.110 -10.280 10.628 1.00 0.00 C ATOM 192 CG GLU A 11 12.403 -11.019 10.323 1.00 0.00 C ATOM 193 CD GLU A 11 12.163 -12.384 9.709 1.00 0.00 C ATOM 194 OE1 GLU A 11 11.915 -13.343 10.471 1.00 0.00 O ATOM 195 OE2 GLU A 11 12.224 -12.496 8.467 1.00 0.00 O ATOM 0 H GLU A 11 11.342 -8.851 12.630 1.00 0.00 H new ATOM 0 HA GLU A 11 12.111 -8.525 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.775 -10.550 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.339 -10.612 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.008 -10.420 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.977 -11.134 11.242 1.00 0.00 H new ATOM 202 N GLN A 12 8.996 -7.895 10.711 1.00 0.00 N ATOM 203 CA GLN A 12 7.756 -7.303 10.237 1.00 0.00 C ATOM 204 C GLN A 12 7.922 -5.794 10.093 1.00 0.00 C ATOM 205 O GLN A 12 7.280 -5.163 9.252 1.00 0.00 O ATOM 206 CB GLN A 12 6.618 -7.628 11.203 1.00 0.00 C ATOM 207 CG GLN A 12 5.601 -8.602 10.629 1.00 0.00 C ATOM 208 CD GLN A 12 4.526 -8.980 11.628 1.00 0.00 C ATOM 209 OE1 GLN A 12 4.015 -8.133 12.359 1.00 0.00 O ATOM 210 NE2 GLN A 12 4.174 -10.260 11.661 1.00 0.00 N ATOM 0 H GLN A 12 9.017 -8.082 11.714 1.00 0.00 H new ATOM 0 HA GLN A 12 7.511 -7.721 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.036 -8.048 12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.110 -6.704 11.479 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.134 -8.158 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.115 -9.504 10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.624 -10.929 11.036 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.453 -10.574 12.311 1.00 0.00 H new ATOM 219 N LEU A 13 8.804 -5.226 10.911 1.00 0.00 N ATOM 220 CA LEU A 13 9.079 -3.796 10.871 1.00 0.00 C ATOM 221 C LEU A 13 9.890 -3.459 9.626 1.00 0.00 C ATOM 222 O LEU A 13 9.686 -2.421 8.998 1.00 0.00 O ATOM 223 CB LEU A 13 9.845 -3.363 12.124 1.00 0.00 C ATOM 224 CG LEU A 13 9.387 -4.023 13.424 1.00 0.00 C ATOM 225 CD1 LEU A 13 10.179 -3.493 14.608 1.00 0.00 C ATOM 226 CD2 LEU A 13 7.902 -3.792 13.636 1.00 0.00 C ATOM 0 H LEU A 13 9.341 -5.738 11.611 1.00 0.00 H new ATOM 0 HA LEU A 13 8.131 -3.259 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.903 -3.580 11.977 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.754 -2.282 12.232 1.00 0.00 H new ATOM 0 HG LEU A 13 9.568 -5.095 13.346 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.835 -3.977 15.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.238 -3.705 14.461 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.032 -2.416 14.691 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.589 -4.267 14.566 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.705 -2.721 13.691 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.345 -4.221 12.803 1.00 0.00 H new ATOM 238 N ALA A 14 10.808 -4.356 9.276 1.00 0.00 N ATOM 239 CA ALA A 14 11.653 -4.174 8.105 1.00 0.00 C ATOM 240 C ALA A 14 10.844 -4.339 6.823 1.00 0.00 C ATOM 241 O ALA A 14 11.076 -3.641 5.836 1.00 0.00 O ATOM 242 CB ALA A 14 12.809 -5.164 8.134 1.00 0.00 C ATOM 0 H ALA A 14 10.984 -5.219 9.791 1.00 0.00 H new ATOM 0 HA ALA A 14 12.056 -3.161 8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.435 -5.019 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.404 -5.002 9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.417 -6.181 8.137 1.00 0.00 H new ATOM 248 N ARG A 15 9.891 -5.264 6.852 1.00 0.00 N ATOM 249 CA ARG A 15 9.040 -5.525 5.699 1.00 0.00 C ATOM 250 C ARG A 15 8.012 -4.412 5.526 1.00 0.00 C ATOM 251 O ARG A 15 7.827 -3.888 4.428 1.00 0.00 O ATOM 252 CB ARG A 15 8.330 -6.870 5.858 1.00 0.00 C ATOM 253 CG ARG A 15 7.896 -7.493 4.541 1.00 0.00 C ATOM 254 CD ARG A 15 6.920 -8.639 4.761 1.00 0.00 C ATOM 255 NE ARG A 15 7.294 -9.830 4.001 1.00 0.00 N ATOM 256 CZ ARG A 15 6.782 -11.039 4.220 1.00 0.00 C ATOM 257 NH1 ARG A 15 5.878 -11.222 5.174 1.00 0.00 N ATOM 258 NH2 ARG A 15 7.178 -12.068 3.483 1.00 0.00 N ATOM 0 H ARG A 15 9.689 -5.847 7.664 1.00 0.00 H new ATOM 0 HA ARG A 15 9.670 -5.559 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.994 -7.562 6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.454 -6.735 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.431 -6.733 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.772 -7.857 4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.881 -8.884 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.918 -8.323 4.470 1.00 0.00 H new ATOM 0 HE ARG A 15 7.987 -9.729 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.572 -10.434 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.489 -12.151 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.874 -11.932 2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.787 -12.995 3.649 1.00 0.00 H new ATOM 272 N ALA A 16 7.349 -4.054 6.621 1.00 0.00 N ATOM 273 CA ALA A 16 6.343 -3.000 6.594 1.00 0.00 C ATOM 274 C ALA A 16 6.961 -1.673 6.170 1.00 0.00 C ATOM 275 O ALA A 16 6.334 -0.883 5.464 1.00 0.00 O ATOM 276 CB ALA A 16 5.680 -2.867 7.956 1.00 0.00 C ATOM 0 H ALA A 16 7.491 -4.479 7.538 1.00 0.00 H new ATOM 0 HA ALA A 16 5.583 -3.271 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.931 -2.076 7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.200 -3.809 8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.433 -2.620 8.705 1.00 0.00 H new ATOM 282 N LYS A 17 8.197 -1.439 6.598 1.00 0.00 N ATOM 283 CA LYS A 17 8.905 -0.212 6.259 1.00 0.00 C ATOM 284 C LYS A 17 9.046 -0.087 4.751 1.00 0.00 C ATOM 285 O LYS A 17 8.730 0.949 4.169 1.00 0.00 O ATOM 286 CB LYS A 17 10.286 -0.191 6.918 1.00 0.00 C ATOM 287 CG LYS A 17 10.922 1.189 6.950 1.00 0.00 C ATOM 288 CD LYS A 17 11.881 1.332 8.121 1.00 0.00 C ATOM 289 CE LYS A 17 11.203 1.966 9.324 1.00 0.00 C ATOM 290 NZ LYS A 17 12.190 2.473 10.317 1.00 0.00 N ATOM 0 H LYS A 17 8.729 -2.085 7.181 1.00 0.00 H new ATOM 0 HA LYS A 17 8.328 0.634 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.199 -0.566 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.946 -0.874 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.456 1.367 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.143 1.948 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.269 0.351 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.735 1.940 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.568 2.788 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.552 1.233 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.686 2.898 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.779 1.685 10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.795 3.191 9.870 1.00 0.00 H new ATOM 304 N ARG A 18 9.512 -1.160 4.125 1.00 0.00 N ATOM 305 CA ARG A 18 9.688 -1.187 2.680 1.00 0.00 C ATOM 306 C ARG A 18 8.336 -1.210 1.980 1.00 0.00 C ATOM 307 O ARG A 18 8.179 -0.670 0.884 1.00 0.00 O ATOM 308 CB ARG A 18 10.502 -2.413 2.271 1.00 0.00 C ATOM 309 CG ARG A 18 11.957 -2.352 2.709 1.00 0.00 C ATOM 310 CD ARG A 18 12.465 -3.712 3.158 1.00 0.00 C ATOM 311 NE ARG A 18 13.285 -4.356 2.134 1.00 0.00 N ATOM 312 CZ ARG A 18 12.790 -5.060 1.117 1.00 0.00 C ATOM 313 NH1 ARG A 18 11.478 -5.214 0.983 1.00 0.00 N ATOM 314 NH2 ARG A 18 13.610 -5.610 0.232 1.00 0.00 N ATOM 0 H ARG A 18 9.775 -2.025 4.597 1.00 0.00 H new ATOM 0 HA ARG A 18 10.224 -0.286 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.040 -3.304 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.462 -2.520 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.570 -1.988 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.062 -1.637 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.049 -3.597 4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.618 -4.354 3.400 1.00 0.00 H new ATOM 0 HE ARG A 18 14.298 -4.261 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.843 -4.792 1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.105 -5.754 0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.619 -5.494 0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.232 -6.149 -0.547 1.00 0.00 H new ATOM 328 N GLU A 19 7.363 -1.844 2.623 1.00 0.00 N ATOM 329 CA GLU A 19 6.018 -1.949 2.073 1.00 0.00 C ATOM 330 C GLU A 19 5.355 -0.580 1.968 1.00 0.00 C ATOM 331 O GLU A 19 4.704 -0.273 0.970 1.00 0.00 O ATOM 332 CB GLU A 19 5.163 -2.876 2.938 1.00 0.00 C ATOM 333 CG GLU A 19 5.566 -4.339 2.846 1.00 0.00 C ATOM 334 CD GLU A 19 4.647 -5.140 1.944 1.00 0.00 C ATOM 335 OE1 GLU A 19 4.665 -4.903 0.718 1.00 0.00 O ATOM 336 OE2 GLU A 19 3.912 -6.005 2.464 1.00 0.00 O ATOM 0 H GLU A 19 7.482 -2.295 3.530 1.00 0.00 H new ATOM 0 HA GLU A 19 6.099 -2.367 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.231 -2.554 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.119 -2.776 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.587 -4.408 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.562 -4.777 3.844 1.00 0.00 H new ATOM 343 N PHE A 20 5.516 0.242 3.002 1.00 0.00 N ATOM 344 CA PHE A 20 4.919 1.573 3.008 1.00 0.00 C ATOM 345 C PHE A 20 5.904 2.631 2.514 1.00 0.00 C ATOM 346 O PHE A 20 5.497 3.700 2.061 1.00 0.00 O ATOM 347 CB PHE A 20 4.394 1.925 4.408 1.00 0.00 C ATOM 348 CG PHE A 20 5.416 2.516 5.345 1.00 0.00 C ATOM 349 CD1 PHE A 20 5.900 3.802 5.149 1.00 0.00 C ATOM 350 CD2 PHE A 20 5.881 1.788 6.427 1.00 0.00 C ATOM 351 CE1 PHE A 20 6.830 4.346 6.015 1.00 0.00 C ATOM 352 CE2 PHE A 20 6.810 2.328 7.295 1.00 0.00 C ATOM 353 CZ PHE A 20 7.286 3.608 7.089 1.00 0.00 C ATOM 0 H PHE A 20 6.050 0.012 3.840 1.00 0.00 H new ATOM 0 HA PHE A 20 4.076 1.562 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.570 2.630 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.986 1.023 4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.546 4.384 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.513 0.786 6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.200 5.348 5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.164 1.749 8.135 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.013 4.031 7.766 1.00 0.00 H new ATOM 363 N ASN A 21 7.196 2.328 2.602 1.00 0.00 N ATOM 364 CA ASN A 21 8.241 3.259 2.164 1.00 0.00 C ATOM 365 C ASN A 21 7.877 3.923 0.836 1.00 0.00 C ATOM 366 O ASN A 21 8.240 5.072 0.586 1.00 0.00 O ATOM 367 CB ASN A 21 9.579 2.528 2.024 1.00 0.00 C ATOM 368 CG ASN A 21 10.612 3.018 3.021 1.00 0.00 C ATOM 369 OD1 ASN A 21 11.726 3.385 2.648 1.00 0.00 O ATOM 370 ND2 ASN A 21 10.248 3.024 4.297 1.00 0.00 N ATOM 0 H ASN A 21 7.548 1.445 2.972 1.00 0.00 H new ATOM 0 HA ASN A 21 8.329 4.037 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.422 1.458 2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.961 2.665 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.902 3.341 5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.314 2.711 4.562 1.00 0.00 H new ATOM 377 N GLU A 22 7.162 3.190 -0.011 1.00 0.00 N ATOM 378 CA GLU A 22 6.753 3.709 -1.313 1.00 0.00 C ATOM 379 C GLU A 22 5.251 3.987 -1.354 1.00 0.00 C ATOM 380 O GLU A 22 4.762 4.668 -2.255 1.00 0.00 O ATOM 381 CB GLU A 22 7.128 2.721 -2.419 1.00 0.00 C ATOM 382 CG GLU A 22 8.528 2.147 -2.273 1.00 0.00 C ATOM 383 CD GLU A 22 8.786 0.993 -3.223 1.00 0.00 C ATOM 384 OE1 GLU A 22 8.668 1.197 -4.450 1.00 0.00 O ATOM 385 OE2 GLU A 22 9.106 -0.113 -2.740 1.00 0.00 O ATOM 0 H GLU A 22 6.854 2.236 0.179 1.00 0.00 H new ATOM 0 HA GLU A 22 7.279 4.650 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.408 1.903 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.048 3.221 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.260 2.934 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.673 1.808 -1.247 1.00 0.00 H new ATOM 392 N ASN A 23 4.522 3.456 -0.375 1.00 0.00 N ATOM 393 CA ASN A 23 3.079 3.644 -0.297 1.00 0.00 C ATOM 394 C ASN A 23 2.737 4.646 0.797 1.00 0.00 C ATOM 395 O ASN A 23 1.710 4.533 1.467 1.00 0.00 O ATOM 396 CB ASN A 23 2.386 2.308 -0.028 1.00 0.00 C ATOM 397 CG ASN A 23 2.912 1.193 -0.917 1.00 0.00 C ATOM 398 OD1 ASN A 23 2.789 0.014 -0.586 1.00 0.00 O ATOM 399 ND2 ASN A 23 3.503 1.560 -2.051 1.00 0.00 N ATOM 0 H ASN A 23 4.912 2.889 0.378 1.00 0.00 H new ATOM 0 HA ASN A 23 2.725 4.035 -1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.527 2.033 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.313 2.420 -0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.875 0.852 -2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.584 2.549 -2.287 1.00 0.00 H new ATOM 406 N ARG A 24 3.626 5.610 0.981 1.00 0.00 N ATOM 407 CA ARG A 24 3.463 6.633 2.005 1.00 0.00 C ATOM 408 C ARG A 24 3.541 8.034 1.408 1.00 0.00 C ATOM 409 O ARG A 24 2.755 8.918 1.748 1.00 0.00 O ATOM 410 CB ARG A 24 4.566 6.448 3.056 1.00 0.00 C ATOM 411 CG ARG A 24 5.285 7.730 3.461 1.00 0.00 C ATOM 412 CD ARG A 24 4.354 8.692 4.181 1.00 0.00 C ATOM 413 NE ARG A 24 4.809 8.979 5.540 1.00 0.00 N ATOM 414 CZ ARG A 24 5.787 9.836 5.829 1.00 0.00 C ATOM 415 NH1 ARG A 24 6.413 10.490 4.859 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.138 10.037 7.092 1.00 0.00 N ATOM 0 H ARG A 24 4.478 5.706 0.428 1.00 0.00 H new ATOM 0 HA ARG A 24 2.479 6.526 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.128 5.997 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.301 5.742 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.128 7.486 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.694 8.214 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.287 9.622 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.351 8.268 4.216 1.00 0.00 H new ATOM 0 HE ARG A 24 4.351 8.495 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.146 10.338 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.161 11.145 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.659 9.536 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.887 10.693 7.315 1.00 0.00 H new ATOM 430 N TYR A 25 4.518 8.223 0.539 1.00 0.00 N ATOM 431 CA TYR A 25 4.752 9.513 -0.101 1.00 0.00 C ATOM 432 C TYR A 25 3.931 9.649 -1.384 1.00 0.00 C ATOM 433 O TYR A 25 3.478 10.739 -1.731 1.00 0.00 O ATOM 434 CB TYR A 25 6.235 9.652 -0.435 1.00 0.00 C ATOM 435 CG TYR A 25 6.583 8.899 -1.686 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.462 7.520 -1.725 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.965 9.564 -2.837 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.720 6.820 -2.876 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.222 8.874 -4.001 1.00 0.00 C ATOM 440 CZ TYR A 25 7.098 7.498 -4.018 1.00 0.00 C ATOM 441 OH TYR A 25 7.353 6.801 -5.177 1.00 0.00 O ATOM 0 H TYR A 25 5.171 7.493 0.255 1.00 0.00 H new ATOM 0 HA TYR A 25 4.446 10.299 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.485 10.706 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.834 9.279 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.160 6.987 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.063 10.639 -2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.628 5.744 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.518 9.405 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 25 7.606 7.428 -5.887 1.00 0.00 H new ATOM 451 N LEU A 26 3.746 8.528 -2.086 1.00 0.00 N ATOM 452 CA LEU A 26 2.984 8.511 -3.334 1.00 0.00 C ATOM 453 C LEU A 26 1.584 9.087 -3.135 1.00 0.00 C ATOM 454 O LEU A 26 0.848 9.311 -4.095 1.00 0.00 O ATOM 455 CB LEU A 26 2.889 7.082 -3.879 1.00 0.00 C ATOM 456 CG LEU A 26 1.896 6.172 -3.153 1.00 0.00 C ATOM 457 CD1 LEU A 26 2.021 4.740 -3.649 1.00 0.00 C ATOM 458 CD2 LEU A 26 2.117 6.240 -1.650 1.00 0.00 C ATOM 0 H LEU A 26 4.115 7.619 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 26 3.510 9.136 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.611 7.130 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.878 6.626 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 26 0.886 6.520 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.307 4.108 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.814 4.706 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.032 4.378 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.403 5.587 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.131 5.916 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.975 7.265 -1.307 1.00 0.00 H new ATOM 470 N THR A 27 1.230 9.323 -1.879 1.00 0.00 N ATOM 471 CA THR A 27 -0.064 9.872 -1.523 1.00 0.00 C ATOM 472 C THR A 27 0.011 11.399 -1.455 1.00 0.00 C ATOM 473 O THR A 27 -0.911 12.060 -0.976 1.00 0.00 O ATOM 474 CB THR A 27 -0.506 9.282 -0.178 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.244 10.182 0.886 1.00 0.00 O ATOM 476 CG2 THR A 27 0.190 7.972 0.144 1.00 0.00 C ATOM 0 H THR A 27 1.836 9.138 -1.079 1.00 0.00 H new ATOM 0 HA THR A 27 -0.799 9.608 -2.283 1.00 0.00 H new ATOM 0 HB THR A 27 -1.577 9.102 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.536 9.783 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.161 7.600 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.035 7.240 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.267 8.134 0.188 1.00 0.00 H new ATOM 484 N GLU A 28 1.123 11.946 -1.947 1.00 0.00 N ATOM 485 CA GLU A 28 1.346 13.385 -1.959 1.00 0.00 C ATOM 486 C GLU A 28 2.359 13.754 -3.045 1.00 0.00 C ATOM 487 O GLU A 28 2.180 14.731 -3.770 1.00 0.00 O ATOM 488 CB GLU A 28 1.840 13.861 -0.590 1.00 0.00 C ATOM 489 CG GLU A 28 0.929 14.889 0.062 1.00 0.00 C ATOM 490 CD GLU A 28 1.607 16.232 0.252 1.00 0.00 C ATOM 491 OE1 GLU A 28 2.326 16.671 -0.671 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.419 16.846 1.323 1.00 0.00 O ATOM 0 H GLU A 28 1.889 11.404 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 28 0.400 13.881 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.935 13.000 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.836 14.289 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.037 15.020 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.598 14.513 1.030 1.00 0.00 H new ATOM 499 N ARG A 29 3.417 12.952 -3.151 1.00 0.00 N ATOM 500 CA ARG A 29 4.461 13.172 -4.148 1.00 0.00 C ATOM 501 C ARG A 29 4.016 12.649 -5.510 1.00 0.00 C ATOM 502 O ARG A 29 4.005 13.383 -6.498 1.00 0.00 O ATOM 503 CB ARG A 29 5.757 12.480 -3.718 1.00 0.00 C ATOM 504 CG ARG A 29 6.916 13.439 -3.499 1.00 0.00 C ATOM 505 CD ARG A 29 6.744 14.239 -2.218 1.00 0.00 C ATOM 506 NE ARG A 29 7.537 13.691 -1.120 1.00 0.00 N ATOM 507 CZ ARG A 29 7.375 14.037 0.156 1.00 0.00 C ATOM 508 NH1 ARG A 29 6.452 14.927 0.498 1.00 0.00 N ATOM 509 NH2 ARG A 29 8.139 13.492 1.092 1.00 0.00 N ATOM 0 H ARG A 29 3.573 12.140 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 29 4.642 14.244 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.575 11.927 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.039 11.751 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.850 12.879 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.991 14.120 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.036 15.274 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.691 14.249 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 29 8.257 13.003 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.862 15.350 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.333 15.188 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.851 12.808 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.015 13.757 2.069 1.00 0.00 H new ATOM 523 N ARG A 30 3.644 11.376 -5.544 1.00 0.00 N ATOM 524 CA ARG A 30 3.186 10.739 -6.773 1.00 0.00 C ATOM 525 C ARG A 30 1.677 10.907 -6.939 1.00 0.00 C ATOM 526 O ARG A 30 1.148 10.794 -8.043 1.00 0.00 O ATOM 527 CB ARG A 30 3.551 9.253 -6.761 1.00 0.00 C ATOM 528 CG ARG A 30 3.157 8.516 -8.031 1.00 0.00 C ATOM 529 CD ARG A 30 2.368 7.254 -7.723 1.00 0.00 C ATOM 530 NE ARG A 30 2.461 6.273 -8.803 1.00 0.00 N ATOM 531 CZ ARG A 30 3.393 5.324 -8.871 1.00 0.00 C ATOM 532 NH1 ARG A 30 4.328 5.228 -7.932 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.394 4.470 -9.886 1.00 0.00 N ATOM 0 H ARG A 30 3.651 10.761 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 30 3.681 11.221 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.626 9.153 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.066 8.776 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.561 9.173 -8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.053 8.257 -8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.738 6.811 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.322 7.512 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 30 1.769 6.318 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.336 5.884 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.038 4.498 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.682 4.541 -10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.107 3.743 -9.940 1.00 0.00 H new ATOM 547 N ARG A 31 0.991 11.181 -5.831 1.00 0.00 N ATOM 548 CA ARG A 31 -0.454 11.369 -5.849 1.00 0.00 C ATOM 549 C ARG A 31 -0.834 12.521 -6.769 1.00 0.00 C ATOM 550 O ARG A 31 -1.785 12.426 -7.545 1.00 0.00 O ATOM 551 CB ARG A 31 -0.967 11.640 -4.431 1.00 0.00 C ATOM 552 CG ARG A 31 -2.442 12.007 -4.368 1.00 0.00 C ATOM 553 CD ARG A 31 -3.073 11.557 -3.059 1.00 0.00 C ATOM 554 NE ARG A 31 -3.683 12.669 -2.335 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.322 12.537 -1.175 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.434 11.343 -0.604 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.850 13.599 -0.582 1.00 0.00 N ATOM 0 H ARG A 31 1.416 11.277 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.916 10.457 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.797 10.755 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.383 12.449 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.554 13.086 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.969 11.547 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.829 10.799 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.314 11.089 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.615 13.602 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.029 10.522 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.925 11.247 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.767 14.519 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.339 13.496 0.307 1.00 0.00 H new ATOM 571 N GLN A 32 -0.084 13.611 -6.672 1.00 0.00 N ATOM 572 CA GLN A 32 -0.339 14.788 -7.492 1.00 0.00 C ATOM 573 C GLN A 32 -0.116 14.482 -8.969 1.00 0.00 C ATOM 574 O GLN A 32 -0.741 15.089 -9.838 1.00 0.00 O ATOM 575 CB GLN A 32 0.563 15.944 -7.055 1.00 0.00 C ATOM 576 CG GLN A 32 2.022 15.549 -6.896 1.00 0.00 C ATOM 577 CD GLN A 32 2.966 16.492 -7.617 1.00 0.00 C ATOM 578 OE1 GLN A 32 2.664 17.671 -7.799 1.00 0.00 O ATOM 579 NE2 GLN A 32 4.116 15.975 -8.033 1.00 0.00 N ATOM 0 H GLN A 32 0.706 13.705 -6.034 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.381 15.077 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.490 16.748 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.197 16.342 -6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.275 15.528 -5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.164 14.538 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.325 14.992 -7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.790 16.561 -8.525 1.00 0.00 H new ATOM 588 N GLN A 33 0.778 13.538 -9.250 1.00 0.00 N ATOM 589 CA GLN A 33 1.072 13.163 -10.627 1.00 0.00 C ATOM 590 C GLN A 33 -0.017 12.254 -11.184 1.00 0.00 C ATOM 591 O GLN A 33 -0.432 12.406 -12.333 1.00 0.00 O ATOM 592 CB GLN A 33 2.461 12.506 -10.725 1.00 0.00 C ATOM 593 CG GLN A 33 2.443 10.985 -10.822 1.00 0.00 C ATOM 594 CD GLN A 33 2.256 10.495 -12.245 1.00 0.00 C ATOM 595 OE1 GLN A 33 3.073 10.776 -13.123 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.178 9.756 -12.481 1.00 0.00 N ATOM 0 H GLN A 33 1.307 13.023 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 33 1.089 14.067 -11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.976 12.906 -11.599 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.046 12.793 -9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.377 10.588 -10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.639 10.594 -10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.527 9.547 -11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.001 9.397 -13.419 1.00 0.00 H new ATOM 605 N LEU A 34 -0.504 11.330 -10.362 1.00 0.00 N ATOM 606 CA LEU A 34 -1.568 10.442 -10.792 1.00 0.00 C ATOM 607 C LEU A 34 -2.847 11.246 -10.918 1.00 0.00 C ATOM 608 O LEU A 34 -3.434 11.328 -11.992 1.00 0.00 O ATOM 609 CB LEU A 34 -1.766 9.299 -9.806 1.00 0.00 C ATOM 610 CG LEU A 34 -0.895 8.064 -10.028 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.836 7.240 -8.754 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.440 7.229 -11.177 1.00 0.00 C ATOM 0 H LEU A 34 -0.181 11.180 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.299 10.005 -11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.577 9.676 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.811 8.993 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 34 0.114 8.385 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.214 6.360 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.410 7.841 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.842 6.926 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.808 6.353 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.456 6.909 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.447 7.826 -12.089 1.00 0.00 H new ATOM 624 N SER A 35 -3.260 11.857 -9.808 1.00 0.00 N ATOM 625 CA SER A 35 -4.455 12.683 -9.781 1.00 0.00 C ATOM 626 C SER A 35 -4.581 13.524 -11.054 1.00 0.00 C ATOM 627 O SER A 35 -5.688 13.800 -11.518 1.00 0.00 O ATOM 628 CB SER A 35 -4.419 13.606 -8.563 1.00 0.00 C ATOM 629 OG SER A 35 -5.726 13.991 -8.172 1.00 0.00 O ATOM 0 H SER A 35 -2.777 11.791 -8.912 1.00 0.00 H new ATOM 0 HA SER A 35 -5.319 12.021 -9.721 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.923 13.100 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.829 14.493 -8.793 1.00 0.00 H new ATOM 0 HG SER A 35 -5.678 14.527 -7.353 1.00 0.00 H new ATOM 635 N SER A 36 -3.439 13.934 -11.607 1.00 0.00 N ATOM 636 CA SER A 36 -3.427 14.751 -12.817 1.00 0.00 C ATOM 637 C SER A 36 -3.685 13.908 -14.065 1.00 0.00 C ATOM 638 O SER A 36 -4.367 14.350 -14.990 1.00 0.00 O ATOM 639 CB SER A 36 -2.087 15.478 -12.950 1.00 0.00 C ATOM 640 OG SER A 36 -2.269 16.792 -13.449 1.00 0.00 O ATOM 0 H SER A 36 -2.514 13.714 -11.237 1.00 0.00 H new ATOM 0 HA SER A 36 -4.230 15.483 -12.731 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.594 15.519 -11.979 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.431 14.919 -13.617 1.00 0.00 H new ATOM 0 HG SER A 36 -1.399 17.237 -13.524 1.00 0.00 H new ATOM 646 N GLU A 37 -3.133 12.698 -14.092 1.00 0.00 N ATOM 647 CA GLU A 37 -3.306 11.806 -15.235 1.00 0.00 C ATOM 648 C GLU A 37 -4.555 10.937 -15.084 1.00 0.00 C ATOM 649 O GLU A 37 -5.053 10.379 -16.062 1.00 0.00 O ATOM 650 CB GLU A 37 -2.073 10.917 -15.404 1.00 0.00 C ATOM 651 CG GLU A 37 -0.768 11.693 -15.474 1.00 0.00 C ATOM 652 CD GLU A 37 0.226 11.076 -16.441 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.923 10.119 -16.044 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.305 11.550 -17.593 1.00 0.00 O ATOM 0 H GLU A 37 -2.564 12.313 -13.338 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.430 12.426 -16.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.024 10.215 -14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.184 10.326 -16.313 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.975 12.719 -15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.323 11.738 -14.480 1.00 0.00 H new ATOM 661 N LEU A 38 -5.051 10.818 -13.858 1.00 0.00 N ATOM 662 CA LEU A 38 -6.235 10.012 -13.584 1.00 0.00 C ATOM 663 C LEU A 38 -7.519 10.831 -13.723 1.00 0.00 C ATOM 664 O LEU A 38 -8.619 10.306 -13.551 1.00 0.00 O ATOM 665 CB LEU A 38 -6.140 9.401 -12.184 1.00 0.00 C ATOM 666 CG LEU A 38 -5.382 8.075 -12.093 1.00 0.00 C ATOM 667 CD1 LEU A 38 -6.004 7.034 -13.008 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.912 8.277 -12.420 1.00 0.00 C ATOM 0 H LEU A 38 -4.651 11.270 -13.036 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.275 9.212 -14.323 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.657 10.122 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.150 9.249 -11.804 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.455 7.708 -11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.449 6.100 -12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.041 6.866 -12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.969 7.388 -14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.389 7.323 -12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.815 8.671 -13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.476 8.983 -11.713 1.00 0.00 H new ATOM 680 N GLY A 39 -7.379 12.120 -14.040 1.00 0.00 N ATOM 681 CA GLY A 39 -8.542 12.980 -14.202 1.00 0.00 C ATOM 682 C GLY A 39 -9.524 12.867 -13.051 1.00 0.00 C ATOM 683 O GLY A 39 -10.622 12.335 -13.212 1.00 0.00 O ATOM 0 H GLY A 39 -6.482 12.582 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.213 14.015 -14.292 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.049 12.725 -15.132 1.00 0.00 H new ATOM 687 N LEU A 40 -9.123 13.360 -11.884 1.00 0.00 N ATOM 688 CA LEU A 40 -9.969 13.302 -10.697 1.00 0.00 C ATOM 689 C LEU A 40 -9.631 14.413 -9.710 1.00 0.00 C ATOM 690 O LEU A 40 -9.191 15.497 -10.092 1.00 0.00 O ATOM 691 CB LEU A 40 -9.825 11.939 -10.030 1.00 0.00 C ATOM 692 CG LEU A 40 -8.458 11.694 -9.408 1.00 0.00 C ATOM 693 CD1 LEU A 40 -8.532 10.684 -8.289 1.00 0.00 C ATOM 694 CD2 LEU A 40 -7.512 11.208 -10.462 1.00 0.00 C ATOM 0 H LEU A 40 -8.217 13.804 -11.735 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.003 13.447 -11.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.587 11.842 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.021 11.162 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.101 12.635 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.538 10.534 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.203 11.050 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.908 9.738 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.532 11.032 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.889 10.279 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.425 11.959 -11.247 1.00 0.00 H new ATOM 706 N ASN A 41 -9.863 14.125 -8.440 1.00 0.00 N ATOM 707 CA ASN A 41 -9.614 15.078 -7.366 1.00 0.00 C ATOM 708 C ASN A 41 -8.920 14.416 -6.171 1.00 0.00 C ATOM 709 O ASN A 41 -7.692 14.394 -6.097 1.00 0.00 O ATOM 710 CB ASN A 41 -10.931 15.745 -6.943 1.00 0.00 C ATOM 711 CG ASN A 41 -10.840 16.446 -5.599 1.00 0.00 C ATOM 712 OD1 ASN A 41 -10.095 17.411 -5.437 1.00 0.00 O ATOM 713 ND2 ASN A 41 -11.601 15.956 -4.627 1.00 0.00 N ATOM 0 H ASN A 41 -10.228 13.227 -8.123 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.936 15.845 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.226 16.468 -7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.716 14.990 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.582 16.382 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.204 15.153 -4.807 1.00 0.00 H new ATOM 720 N GLU A 42 -9.704 13.894 -5.231 1.00 0.00 N ATOM 721 CA GLU A 42 -9.140 13.258 -4.045 1.00 0.00 C ATOM 722 C GLU A 42 -9.869 11.963 -3.704 1.00 0.00 C ATOM 723 O GLU A 42 -9.242 10.940 -3.432 1.00 0.00 O ATOM 724 CB GLU A 42 -9.202 14.217 -2.854 1.00 0.00 C ATOM 725 CG GLU A 42 -7.946 14.205 -1.997 1.00 0.00 C ATOM 726 CD GLU A 42 -7.700 15.533 -1.306 1.00 0.00 C ATOM 727 OE1 GLU A 42 -7.493 16.541 -2.014 1.00 0.00 O ATOM 728 OE2 GLU A 42 -7.717 15.564 -0.058 1.00 0.00 O ATOM 0 H GLU A 42 -10.723 13.899 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.100 13.013 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.371 15.229 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.059 13.956 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.030 13.419 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.087 13.959 -2.621 1.00 0.00 H new ATOM 735 N ALA A 43 -11.195 12.016 -3.710 1.00 0.00 N ATOM 736 CA ALA A 43 -12.004 10.845 -3.391 1.00 0.00 C ATOM 737 C ALA A 43 -11.831 9.745 -4.424 1.00 0.00 C ATOM 738 O ALA A 43 -12.128 8.581 -4.157 1.00 0.00 O ATOM 739 CB ALA A 43 -13.469 11.216 -3.294 1.00 0.00 C ATOM 0 H ALA A 43 -11.732 12.854 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.659 10.471 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.054 10.328 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.604 11.961 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.804 11.626 -4.247 1.00 0.00 H new ATOM 745 N GLN A 44 -11.348 10.110 -5.603 1.00 0.00 N ATOM 746 CA GLN A 44 -11.142 9.129 -6.655 1.00 0.00 C ATOM 747 C GLN A 44 -9.699 8.644 -6.643 1.00 0.00 C ATOM 748 O GLN A 44 -9.384 7.583 -7.176 1.00 0.00 O ATOM 749 CB GLN A 44 -11.531 9.691 -8.026 1.00 0.00 C ATOM 750 CG GLN A 44 -12.930 10.292 -8.067 1.00 0.00 C ATOM 751 CD GLN A 44 -13.046 11.615 -7.326 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.147 12.047 -6.986 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.916 12.270 -7.069 1.00 0.00 N ATOM 0 H GLN A 44 -11.095 11.066 -5.852 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.793 8.276 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.809 10.455 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.465 8.894 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.222 10.440 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.635 9.581 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.022 11.880 -7.367 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.945 13.162 -6.574 1.00 0.00 H new ATOM 762 N ILE A 45 -8.815 9.409 -6.006 1.00 0.00 N ATOM 763 CA ILE A 45 -7.427 9.016 -5.901 1.00 0.00 C ATOM 764 C ILE A 45 -7.359 7.635 -5.294 1.00 0.00 C ATOM 765 O ILE A 45 -6.685 6.741 -5.806 1.00 0.00 O ATOM 766 CB ILE A 45 -6.641 9.997 -5.015 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.760 11.422 -5.553 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.187 9.575 -4.922 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.823 11.701 -6.697 1.00 0.00 C ATOM 0 H ILE A 45 -9.041 10.298 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.983 9.021 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.068 9.978 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.785 11.596 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.559 12.127 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.643 10.279 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.125 8.577 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.746 9.566 -5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.956 12.729 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.794 11.557 -6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.039 11.019 -7.519 1.00 0.00 H new ATOM 781 N LYS A 46 -8.103 7.463 -4.214 1.00 0.00 N ATOM 782 CA LYS A 46 -8.171 6.187 -3.547 1.00 0.00 C ATOM 783 C LYS A 46 -8.897 5.180 -4.432 1.00 0.00 C ATOM 784 O LYS A 46 -8.903 3.985 -4.146 1.00 0.00 O ATOM 785 CB LYS A 46 -8.887 6.323 -2.203 1.00 0.00 C ATOM 786 CG LYS A 46 -8.248 7.343 -1.275 1.00 0.00 C ATOM 787 CD LYS A 46 -9.005 8.663 -1.292 1.00 0.00 C ATOM 788 CE LYS A 46 -9.933 8.787 -0.094 1.00 0.00 C ATOM 789 NZ LYS A 46 -10.018 10.188 0.401 1.00 0.00 N ATOM 0 H LYS A 46 -8.667 8.197 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.157 5.833 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.925 6.605 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.901 5.352 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.225 6.948 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.214 7.512 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.296 9.491 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.584 8.740 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.929 8.438 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.578 8.140 0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.660 10.229 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.072 10.513 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.381 10.802 -0.356 1.00 0.00 H new ATOM 803 N ILE A 47 -9.518 5.668 -5.515 1.00 0.00 N ATOM 804 CA ILE A 47 -10.244 4.791 -6.421 1.00 0.00 C ATOM 805 C ILE A 47 -9.291 3.958 -7.271 1.00 0.00 C ATOM 806 O ILE A 47 -9.608 2.819 -7.618 1.00 0.00 O ATOM 807 CB ILE A 47 -11.224 5.587 -7.324 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.654 5.454 -6.798 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.150 5.136 -8.779 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.911 6.253 -5.539 1.00 0.00 C ATOM 0 H ILE A 47 -9.528 6.654 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.832 4.111 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.926 6.635 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.349 5.778 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.864 4.403 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.851 5.718 -9.377 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.139 5.288 -9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.407 4.079 -8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.945 6.112 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.240 5.914 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.733 7.310 -5.736 1.00 0.00 H new ATOM 822 N TRP A 48 -8.124 4.504 -7.607 1.00 0.00 N ATOM 823 CA TRP A 48 -7.174 3.741 -8.411 1.00 0.00 C ATOM 824 C TRP A 48 -6.558 2.615 -7.587 1.00 0.00 C ATOM 825 O TRP A 48 -6.581 1.450 -7.986 1.00 0.00 O ATOM 826 CB TRP A 48 -6.040 4.601 -8.971 1.00 0.00 C ATOM 827 CG TRP A 48 -6.297 6.068 -9.044 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.397 6.706 -9.531 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.391 7.082 -8.635 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.223 8.064 -9.452 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.994 8.318 -8.901 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.122 7.057 -8.066 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -5.362 9.521 -8.617 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.500 8.252 -7.782 1.00 0.00 C ATOM 835 CH2 TRP A 48 -4.119 9.469 -8.058 1.00 0.00 C ATOM 0 H TRP A 48 -7.820 5.442 -7.345 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.745 3.340 -9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.153 4.439 -8.358 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.804 4.245 -9.974 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.276 6.215 -9.922 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.897 8.768 -9.753 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.634 6.118 -7.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.839 10.466 -8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.516 8.246 -7.338 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.605 10.389 -7.825 1.00 0.00 H new ATOM 846 N PHE A 49 -5.986 2.980 -6.444 1.00 0.00 N ATOM 847 CA PHE A 49 -5.334 2.012 -5.567 1.00 0.00 C ATOM 848 C PHE A 49 -6.327 0.996 -5.013 1.00 0.00 C ATOM 849 O PHE A 49 -6.006 -0.188 -4.900 1.00 0.00 O ATOM 850 CB PHE A 49 -4.613 2.716 -4.413 1.00 0.00 C ATOM 851 CG PHE A 49 -4.070 4.069 -4.767 1.00 0.00 C ATOM 852 CD1 PHE A 49 -2.885 4.198 -5.473 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.747 5.214 -4.395 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.392 5.446 -5.797 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.261 6.454 -4.711 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.084 6.579 -5.413 1.00 0.00 C ATOM 0 H PHE A 49 -5.960 3.941 -6.102 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.600 1.478 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.304 2.821 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.793 2.085 -4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.342 3.314 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.674 5.130 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.468 5.537 -6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.803 7.338 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.703 7.558 -5.663 1.00 0.00 H new ATOM 866 N GLN A 50 -7.532 1.446 -4.666 1.00 0.00 N ATOM 867 CA GLN A 50 -8.537 0.532 -4.129 1.00 0.00 C ATOM 868 C GLN A 50 -8.834 -0.578 -5.133 1.00 0.00 C ATOM 869 O GLN A 50 -9.258 -1.673 -4.759 1.00 0.00 O ATOM 870 CB GLN A 50 -9.824 1.277 -3.762 1.00 0.00 C ATOM 871 CG GLN A 50 -10.653 1.704 -4.961 1.00 0.00 C ATOM 872 CD GLN A 50 -11.972 2.337 -4.561 1.00 0.00 C ATOM 873 OE1 GLN A 50 -13.042 1.873 -4.955 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.901 3.404 -3.773 1.00 0.00 N ATOM 0 H GLN A 50 -7.832 2.418 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.135 0.087 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.432 0.638 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.566 2.161 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.081 2.412 -5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.847 0.837 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.992 3.755 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.755 3.872 -3.471 1.00 0.00 H new ATOM 883 N ASN A 51 -8.595 -0.288 -6.408 1.00 0.00 N ATOM 884 CA ASN A 51 -8.820 -1.260 -7.469 1.00 0.00 C ATOM 885 C ASN A 51 -7.555 -2.074 -7.724 1.00 0.00 C ATOM 886 O ASN A 51 -7.623 -3.238 -8.117 1.00 0.00 O ATOM 887 CB ASN A 51 -9.261 -0.554 -8.754 1.00 0.00 C ATOM 888 CG ASN A 51 -10.681 -0.909 -9.151 1.00 0.00 C ATOM 889 OD1 ASN A 51 -11.039 -2.084 -9.231 1.00 0.00 O ATOM 890 ND2 ASN A 51 -11.498 0.107 -9.400 1.00 0.00 N ATOM 0 H ASN A 51 -8.245 0.614 -6.731 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.613 -1.938 -7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.184 0.525 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.582 -0.822 -9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.465 -0.071 -9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.158 1.066 -9.321 1.00 0.00 H new ATOM 897 N LYS A 52 -6.399 -1.454 -7.490 1.00 0.00 N ATOM 898 CA LYS A 52 -5.120 -2.126 -7.689 1.00 0.00 C ATOM 899 C LYS A 52 -4.770 -2.998 -6.486 1.00 0.00 C ATOM 900 O LYS A 52 -4.015 -3.963 -6.606 1.00 0.00 O ATOM 901 CB LYS A 52 -4.011 -1.098 -7.927 1.00 0.00 C ATOM 902 CG LYS A 52 -2.740 -1.699 -8.510 1.00 0.00 C ATOM 903 CD LYS A 52 -1.517 -1.332 -7.683 1.00 0.00 C ATOM 904 CE LYS A 52 -1.031 0.074 -7.999 1.00 0.00 C ATOM 905 NZ LYS A 52 0.124 0.065 -8.938 1.00 0.00 N ATOM 0 H LYS A 52 -6.324 -0.491 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.208 -2.766 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.381 -0.326 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.772 -0.608 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.837 -2.784 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.607 -1.348 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.759 -1.405 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.717 -2.047 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.847 0.651 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.743 0.575 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.425 1.042 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.912 -0.464 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.157 -0.390 -9.830 1.00 0.00 H new ATOM 919 N ARG A 53 -5.323 -2.653 -5.327 1.00 0.00 N ATOM 920 CA ARG A 53 -5.068 -3.404 -4.103 1.00 0.00 C ATOM 921 C ARG A 53 -5.910 -4.680 -4.045 1.00 0.00 C ATOM 922 O ARG A 53 -5.790 -5.465 -3.105 1.00 0.00 O ATOM 923 CB ARG A 53 -5.359 -2.534 -2.878 1.00 0.00 C ATOM 924 CG ARG A 53 -4.610 -2.971 -1.630 1.00 0.00 C ATOM 925 CD ARG A 53 -3.153 -2.537 -1.675 1.00 0.00 C ATOM 926 NE ARG A 53 -2.620 -2.269 -0.342 1.00 0.00 N ATOM 927 CZ ARG A 53 -2.218 -3.217 0.502 1.00 0.00 C ATOM 928 NH1 ARG A 53 -2.288 -4.497 0.156 1.00 0.00 N ATOM 929 NH2 ARG A 53 -1.744 -2.886 1.695 1.00 0.00 N ATOM 0 H ARG A 53 -5.951 -1.858 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.016 -3.690 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.097 -1.501 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.430 -2.554 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.090 -2.546 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.665 -4.055 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.558 -3.315 -2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.060 -1.641 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.552 -1.297 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.651 -4.758 -0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.979 -5.219 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.687 -1.905 1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.436 -3.613 2.341 1.00 0.00 H new ATOM 943 N ALA A 54 -6.758 -4.884 -5.050 1.00 0.00 N ATOM 944 CA ALA A 54 -7.610 -6.065 -5.099 1.00 0.00 C ATOM 945 C ALA A 54 -7.021 -7.131 -6.018 1.00 0.00 C ATOM 946 O ALA A 54 -7.744 -7.974 -6.547 1.00 0.00 O ATOM 947 CB ALA A 54 -9.011 -5.686 -5.556 1.00 0.00 C ATOM 0 H ALA A 54 -6.872 -4.247 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.668 -6.482 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.637 -6.578 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.439 -4.967 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.962 -5.241 -6.550 1.00 0.00 H new ATOM 953 N LYS A 55 -5.706 -7.086 -6.205 1.00 0.00 N ATOM 954 CA LYS A 55 -5.023 -8.049 -7.060 1.00 0.00 C ATOM 955 C LYS A 55 -3.521 -8.042 -6.798 1.00 0.00 C ATOM 956 O LYS A 55 -2.719 -8.206 -7.718 1.00 0.00 O ATOM 957 CB LYS A 55 -5.297 -7.739 -8.533 1.00 0.00 C ATOM 958 CG LYS A 55 -5.095 -6.275 -8.894 1.00 0.00 C ATOM 959 CD LYS A 55 -6.185 -5.774 -9.828 1.00 0.00 C ATOM 960 CE LYS A 55 -5.752 -5.853 -11.283 1.00 0.00 C ATOM 961 NZ LYS A 55 -5.592 -7.262 -11.739 1.00 0.00 N ATOM 0 H LYS A 55 -5.093 -6.393 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.409 -9.041 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.642 -8.351 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.321 -8.026 -8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.089 -5.673 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.122 -6.147 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.089 -6.365 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.435 -4.743 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.489 -5.350 -11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.809 -5.321 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.379 -7.275 -12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.812 -7.710 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.473 -7.786 -11.563 1.00 0.00 H new ATOM 975 N ILE A 56 -3.146 -7.851 -5.537 1.00 0.00 N ATOM 976 CA ILE A 56 -1.739 -7.822 -5.154 1.00 0.00 C ATOM 977 C ILE A 56 -1.479 -8.739 -3.964 1.00 0.00 C ATOM 978 O ILE A 56 -0.749 -8.386 -3.038 1.00 0.00 O ATOM 979 CB ILE A 56 -1.282 -6.392 -4.805 1.00 0.00 C ATOM 980 CG1 ILE A 56 0.233 -6.355 -4.582 1.00 0.00 C ATOM 981 CG2 ILE A 56 -2.024 -5.885 -3.576 1.00 0.00 C ATOM 982 CD1 ILE A 56 0.990 -5.664 -5.694 1.00 0.00 C ATOM 0 H ILE A 56 -3.797 -7.714 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.166 -8.175 -6.011 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.518 -5.735 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.441 -5.846 -3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.602 -7.376 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.691 -4.874 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.096 -5.877 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.817 -6.541 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.057 -5.675 -5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.812 -6.186 -6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.648 -4.633 -5.781 1.00 0.00 H new ATOM 994 N ARG A 57 -2.084 -9.916 -4.003 1.00 0.00 N ATOM 995 CA ARG A 57 -1.929 -10.895 -2.934 1.00 0.00 C ATOM 996 C ARG A 57 -2.422 -12.268 -3.378 1.00 0.00 C ATOM 997 O ARG A 57 -1.692 -13.257 -3.302 1.00 0.00 O ATOM 998 CB ARG A 57 -2.689 -10.443 -1.685 1.00 0.00 C ATOM 999 CG ARG A 57 -1.908 -10.634 -0.396 1.00 0.00 C ATOM 1000 CD ARG A 57 -2.823 -10.633 0.817 1.00 0.00 C ATOM 1001 NE ARG A 57 -3.509 -9.354 0.984 1.00 0.00 N ATOM 1002 CZ ARG A 57 -4.598 -9.188 1.732 1.00 0.00 C ATOM 1003 NH1 ARG A 57 -5.129 -10.216 2.382 1.00 0.00 N ATOM 1004 NH2 ARG A 57 -5.158 -7.990 1.830 1.00 0.00 N ATOM 0 H ARG A 57 -2.690 -10.219 -4.766 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.868 -10.971 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.949 -9.390 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.625 -10.998 -1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.360 -11.575 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.169 -9.839 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.560 -11.429 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.239 -10.851 1.711 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.131 -8.540 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.703 -11.140 2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.963 -10.082 2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.755 -7.196 1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.992 -7.862 2.403 1.00 0.00 H new ATOM 1018 N ARG A 58 -3.666 -12.323 -3.843 1.00 0.00 N ATOM 1019 CA ARG A 58 -4.258 -13.576 -4.300 1.00 0.00 C ATOM 1020 C ARG A 58 -4.289 -14.605 -3.175 1.00 0.00 C ATOM 1021 O ARG A 58 -3.346 -15.376 -2.998 1.00 0.00 O ATOM 1022 CB ARG A 58 -3.475 -14.127 -5.495 1.00 0.00 C ATOM 1023 CG ARG A 58 -4.268 -14.125 -6.793 1.00 0.00 C ATOM 1024 CD ARG A 58 -3.929 -12.918 -7.651 1.00 0.00 C ATOM 1025 NE ARG A 58 -5.111 -12.362 -8.306 1.00 0.00 N ATOM 1026 CZ ARG A 58 -5.727 -12.936 -9.337 1.00 0.00 C ATOM 1027 NH1 ARG A 58 -5.277 -14.081 -9.835 1.00 0.00 N ATOM 1028 NH2 ARG A 58 -6.796 -12.364 -9.872 1.00 0.00 N ATOM 0 H ARG A 58 -4.284 -11.515 -3.913 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.284 -13.375 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.570 -13.535 -5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.159 -15.146 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.059 -15.039 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.335 -14.125 -6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.464 -12.152 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.197 -13.204 -8.406 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.486 -11.482 -7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.455 -14.526 -9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.754 -14.516 -10.625 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.147 -11.484 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.268 -12.804 -10.662 1.00 0.00 H new ATOM 1042 N SER A 59 -5.380 -14.612 -2.416 1.00 0.00 N ATOM 1043 CA SER A 59 -5.535 -15.547 -1.307 1.00 0.00 C ATOM 1044 C SER A 59 -6.161 -16.854 -1.781 1.00 0.00 C ATOM 1045 O SER A 59 -5.399 -17.782 -2.130 1.00 0.00 O ATOM 1046 CB SER A 59 -6.394 -14.926 -0.204 1.00 0.00 C ATOM 1047 OG SER A 59 -6.239 -15.626 1.018 1.00 0.00 O ATOM 1048 OXT SER A 59 -7.406 -16.942 -1.797 1.00 0.00 O ATOM 0 H SER A 59 -6.170 -13.981 -2.549 1.00 0.00 H new ATOM 0 HA SER A 59 -4.545 -15.764 -0.907 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.115 -13.881 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.442 -14.939 -0.504 1.00 0.00 H new ATOM 0 HG SER A 59 -6.797 -15.209 1.707 1.00 0.00 H new TER 1054 SER A 59