USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 307 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 40:sc= -0.609 USER MOD Single : A 11 SER OG : rot 180:sc= 0.025 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 27 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 0.0237 (180deg=0.00653) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -25.227 -8.413 1.893 1.00 0.00 N ATOM 2 CA CYS A 1 -26.250 -7.894 2.853 1.00 0.00 C ATOM 3 C CYS A 1 -25.705 -6.653 3.572 1.00 0.00 C ATOM 4 O CYS A 1 -24.761 -6.754 4.334 1.00 0.00 O ATOM 5 CB CYS A 1 -26.524 -9.029 3.850 1.00 0.00 C ATOM 6 SG CYS A 1 -27.898 -10.045 3.251 1.00 0.00 S ATOM 0 H1 CYS A 1 -25.601 -9.254 1.408 1.00 0.00 H new ATOM 0 H2 CYS A 1 -25.006 -7.678 1.191 1.00 0.00 H new ATOM 0 H3 CYS A 1 -24.362 -8.668 2.411 1.00 0.00 H new ATOM 0 HA CYS A 1 -27.168 -7.598 2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -25.631 -9.642 3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -26.764 -8.616 4.830 1.00 0.00 H new ATOM 0 HG CYS A 1 -28.127 -11.007 4.095 1.00 0.00 H new ATOM 14 N ALA A 2 -26.295 -5.500 3.322 1.00 0.00 N ATOM 15 CA ALA A 2 -25.861 -4.208 3.956 1.00 0.00 C ATOM 16 C ALA A 2 -24.347 -3.958 3.833 1.00 0.00 C ATOM 17 O ALA A 2 -23.787 -3.330 4.713 1.00 0.00 O ATOM 18 CB ALA A 2 -26.285 -4.324 5.427 1.00 0.00 C ATOM 0 H ALA A 2 -27.084 -5.401 2.684 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.322 -3.358 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -26.002 -3.416 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.365 -4.457 5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -25.789 -5.181 5.882 1.00 0.00 H new ATOM 24 N VAL A 3 -23.701 -4.436 2.778 1.00 0.00 N ATOM 25 CA VAL A 3 -22.218 -4.271 2.533 1.00 0.00 C ATOM 26 C VAL A 3 -21.358 -4.473 3.797 1.00 0.00 C ATOM 27 O VAL A 3 -20.259 -3.952 3.895 1.00 0.00 O ATOM 28 CB VAL A 3 -22.003 -2.859 1.962 1.00 0.00 C ATOM 29 CG1 VAL A 3 -22.943 -2.577 0.786 1.00 0.00 C ATOM 30 CG2 VAL A 3 -22.208 -1.792 3.047 1.00 0.00 C ATOM 0 H VAL A 3 -24.171 -4.961 2.040 1.00 0.00 H new ATOM 0 HA VAL A 3 -21.895 -5.045 1.836 1.00 0.00 H new ATOM 0 HB VAL A 3 -20.975 -2.814 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -22.762 -1.570 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -22.759 -3.301 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -23.978 -2.659 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -22.050 -0.802 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -23.223 -1.861 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -21.496 -1.954 3.856 1.00 0.00 H new ATOM 40 N GLU A 4 -21.858 -5.211 4.759 1.00 0.00 N ATOM 41 CA GLU A 4 -21.149 -5.479 6.048 1.00 0.00 C ATOM 42 C GLU A 4 -20.852 -4.189 6.835 1.00 0.00 C ATOM 43 O GLU A 4 -20.078 -4.215 7.776 1.00 0.00 O ATOM 44 CB GLU A 4 -19.877 -6.264 5.705 1.00 0.00 C ATOM 45 CG GLU A 4 -20.191 -7.763 5.708 1.00 0.00 C ATOM 46 CD GLU A 4 -20.231 -8.274 7.151 1.00 0.00 C ATOM 47 OE1 GLU A 4 -19.182 -8.334 7.772 1.00 0.00 O ATOM 48 OE2 GLU A 4 -21.317 -8.593 7.607 1.00 0.00 O ATOM 0 H GLU A 4 -22.773 -5.658 4.697 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.784 -6.064 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -19.502 -5.961 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -19.093 -6.043 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -21.148 -7.946 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.435 -8.305 5.140 1.00 0.00 H new ATOM 55 N LEU A 5 -21.460 -3.077 6.462 1.00 0.00 N ATOM 56 CA LEU A 5 -21.266 -1.750 7.135 1.00 0.00 C ATOM 57 C LEU A 5 -19.777 -1.362 7.273 1.00 0.00 C ATOM 58 O LEU A 5 -19.434 -0.505 8.069 1.00 0.00 O ATOM 59 CB LEU A 5 -22.001 -1.869 8.479 1.00 0.00 C ATOM 60 CG LEU A 5 -23.492 -2.157 8.232 1.00 0.00 C ATOM 61 CD1 LEU A 5 -24.153 -2.692 9.502 1.00 0.00 C ATOM 62 CD2 LEU A 5 -24.218 -0.883 7.790 1.00 0.00 C ATOM 0 H LEU A 5 -22.113 -3.041 5.679 1.00 0.00 H new ATOM 0 HA LEU A 5 -21.676 -0.932 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.561 -2.668 9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -21.889 -0.947 9.049 1.00 0.00 H new ATOM 0 HG LEU A 5 -23.562 -2.907 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -25.207 -2.890 9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -23.661 -3.615 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -24.063 -1.953 10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -25.271 -1.105 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -24.128 -0.125 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -23.772 -0.511 6.868 1.00 0.00 H new ATOM 74 N ARG A 6 -18.903 -1.984 6.504 1.00 0.00 N ATOM 75 CA ARG A 6 -17.433 -1.702 6.537 1.00 0.00 C ATOM 76 C ARG A 6 -16.701 -2.295 5.310 1.00 0.00 C ATOM 77 O ARG A 6 -15.515 -2.568 5.381 1.00 0.00 O ATOM 78 CB ARG A 6 -16.943 -2.309 7.860 1.00 0.00 C ATOM 79 CG ARG A 6 -17.038 -3.843 7.864 1.00 0.00 C ATOM 80 CD ARG A 6 -15.639 -4.463 7.789 1.00 0.00 C ATOM 81 NE ARG A 6 -15.796 -5.698 6.969 1.00 0.00 N ATOM 82 CZ ARG A 6 -15.445 -6.860 7.453 1.00 0.00 C ATOM 83 NH1 ARG A 6 -14.175 -7.172 7.509 1.00 0.00 N ATOM 84 NH2 ARG A 6 -16.362 -7.694 7.872 1.00 0.00 N ATOM 0 H ARG A 6 -19.166 -2.703 5.830 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.223 -0.634 6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.909 -2.010 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.534 -1.908 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.545 -4.180 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.638 -4.179 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.929 -3.775 7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.259 -4.697 8.784 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.179 -5.636 6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.472 -6.511 7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.888 -8.076 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.348 -7.436 7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.091 -8.602 8.250 1.00 0.00 H new ATOM 98 N SER A 7 -17.369 -2.501 4.192 1.00 0.00 N ATOM 99 CA SER A 7 -16.693 -3.073 2.979 1.00 0.00 C ATOM 100 C SER A 7 -15.719 -2.049 2.363 1.00 0.00 C ATOM 101 O SER A 7 -16.091 -0.904 2.187 1.00 0.00 O ATOM 102 CB SER A 7 -17.801 -3.455 1.983 1.00 0.00 C ATOM 103 OG SER A 7 -18.732 -2.387 1.828 1.00 0.00 O ATOM 0 H SER A 7 -18.360 -2.295 4.070 1.00 0.00 H new ATOM 0 HA SER A 7 -16.101 -3.949 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.359 -3.701 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.319 -4.347 2.333 1.00 0.00 H new ATOM 0 HG SER A 7 -18.250 -1.534 1.803 1.00 0.00 H new ATOM 109 N PRO A 8 -14.508 -2.476 2.060 1.00 0.00 N ATOM 110 CA PRO A 8 -13.485 -1.564 1.464 1.00 0.00 C ATOM 111 C PRO A 8 -13.661 -1.339 -0.049 1.00 0.00 C ATOM 112 O PRO A 8 -13.767 -0.200 -0.466 1.00 0.00 O ATOM 113 CB PRO A 8 -12.162 -2.256 1.794 1.00 0.00 C ATOM 114 CG PRO A 8 -12.486 -3.705 1.962 1.00 0.00 C ATOM 115 CD PRO A 8 -13.961 -3.832 2.236 1.00 0.00 C ATOM 0 HA PRO A 8 -13.558 -0.555 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.435 -2.109 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.724 -1.846 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.218 -4.261 1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.909 -4.130 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.429 -4.537 1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.143 -4.201 3.245 1.00 0.00 H new ATOM 123 N GLY A 9 -13.689 -2.377 -0.860 1.00 0.00 N ATOM 124 CA GLY A 9 -13.855 -2.216 -2.343 1.00 0.00 C ATOM 125 C GLY A 9 -12.697 -1.377 -2.896 1.00 0.00 C ATOM 126 O GLY A 9 -11.584 -1.860 -3.003 1.00 0.00 O ATOM 0 H GLY A 9 -13.602 -3.345 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.874 -3.193 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.807 -1.733 -2.563 1.00 0.00 H new ATOM 130 N ILE A 10 -12.960 -0.131 -3.231 1.00 0.00 N ATOM 131 CA ILE A 10 -11.901 0.782 -3.769 1.00 0.00 C ATOM 132 C ILE A 10 -10.733 0.882 -2.769 1.00 0.00 C ATOM 133 O ILE A 10 -9.594 1.009 -3.175 1.00 0.00 O ATOM 134 CB ILE A 10 -12.606 2.128 -4.019 1.00 0.00 C ATOM 135 CG1 ILE A 10 -11.722 3.032 -4.896 1.00 0.00 C ATOM 136 CG2 ILE A 10 -13.009 2.837 -2.718 1.00 0.00 C ATOM 137 CD1 ILE A 10 -10.691 3.832 -4.087 1.00 0.00 C ATOM 0 H ILE A 10 -13.883 0.296 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.455 0.421 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.535 1.917 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.201 2.418 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.357 3.724 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.502 3.780 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.693 2.202 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.119 3.033 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.099 4.450 -4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.207 4.470 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.034 3.145 -3.554 1.00 0.00 H new ATOM 149 N SER A 11 -11.005 0.815 -1.483 1.00 0.00 N ATOM 150 CA SER A 11 -9.920 0.892 -0.448 1.00 0.00 C ATOM 151 C SER A 11 -8.988 -0.322 -0.590 1.00 0.00 C ATOM 152 O SER A 11 -7.789 -0.188 -0.425 1.00 0.00 O ATOM 153 CB SER A 11 -10.604 0.904 0.924 1.00 0.00 C ATOM 154 OG SER A 11 -11.761 1.733 0.896 1.00 0.00 O ATOM 0 H SER A 11 -11.946 0.709 -1.103 1.00 0.00 H new ATOM 0 HA SER A 11 -9.314 1.790 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.883 -0.111 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.908 1.266 1.681 1.00 0.00 H new ATOM 0 HG SER A 11 -12.188 1.729 1.778 1.00 0.00 H new ATOM 160 N ARG A 12 -9.522 -1.486 -0.910 1.00 0.00 N ATOM 161 CA ARG A 12 -8.676 -2.710 -1.089 1.00 0.00 C ATOM 162 C ARG A 12 -7.777 -2.443 -2.306 1.00 0.00 C ATOM 163 O ARG A 12 -6.590 -2.707 -2.278 1.00 0.00 O ATOM 164 CB ARG A 12 -9.631 -3.884 -1.356 1.00 0.00 C ATOM 165 CG ARG A 12 -9.296 -5.063 -0.435 1.00 0.00 C ATOM 166 CD ARG A 12 -9.359 -6.375 -1.225 1.00 0.00 C ATOM 167 NE ARG A 12 -9.092 -7.456 -0.230 1.00 0.00 N ATOM 168 CZ ARG A 12 -9.885 -8.492 -0.148 1.00 0.00 C ATOM 169 NH1 ARG A 12 -10.973 -8.422 0.576 1.00 0.00 N ATOM 170 NH2 ARG A 12 -9.582 -9.591 -0.790 1.00 0.00 N ATOM 0 H ARG A 12 -10.520 -1.636 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.060 -2.942 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.661 -3.568 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.554 -4.194 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.301 -4.932 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.998 -5.096 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.335 -6.505 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.619 -6.387 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.285 -7.386 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.200 -7.561 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.594 -9.228 0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.731 -9.636 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.197 -10.403 -0.730 1.00 0.00 H new ATOM 184 N PHE A 13 -8.358 -1.899 -3.358 1.00 0.00 N ATOM 185 CA PHE A 13 -7.600 -1.562 -4.605 1.00 0.00 C ATOM 186 C PHE A 13 -6.536 -0.509 -4.233 1.00 0.00 C ATOM 187 O PHE A 13 -5.415 -0.584 -4.702 1.00 0.00 O ATOM 188 CB PHE A 13 -8.679 -1.066 -5.588 1.00 0.00 C ATOM 189 CG PHE A 13 -8.190 0.011 -6.532 1.00 0.00 C ATOM 190 CD1 PHE A 13 -7.351 -0.311 -7.606 1.00 0.00 C ATOM 191 CD2 PHE A 13 -8.586 1.339 -6.326 1.00 0.00 C ATOM 192 CE1 PHE A 13 -6.910 0.696 -8.474 1.00 0.00 C ATOM 193 CE2 PHE A 13 -8.144 2.344 -7.192 1.00 0.00 C ATOM 194 CZ PHE A 13 -7.307 2.022 -8.267 1.00 0.00 C ATOM 0 H PHE A 13 -9.351 -1.671 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.055 -2.386 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.043 -1.911 -6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.527 -0.682 -5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.044 -1.334 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.233 1.587 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.263 0.449 -9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.448 3.368 -7.032 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.967 2.798 -8.937 1.00 0.00 H new ATOM 204 N ARG A 14 -6.883 0.445 -3.389 1.00 0.00 N ATOM 205 CA ARG A 14 -5.916 1.504 -2.951 1.00 0.00 C ATOM 206 C ARG A 14 -4.719 0.843 -2.249 1.00 0.00 C ATOM 207 O ARG A 14 -3.597 1.289 -2.413 1.00 0.00 O ATOM 208 CB ARG A 14 -6.668 2.420 -1.977 1.00 0.00 C ATOM 209 CG ARG A 14 -7.272 3.605 -2.736 1.00 0.00 C ATOM 210 CD ARG A 14 -7.742 4.670 -1.740 1.00 0.00 C ATOM 211 NE ARG A 14 -7.511 5.986 -2.407 1.00 0.00 N ATOM 212 CZ ARG A 14 -6.479 6.720 -2.073 1.00 0.00 C ATOM 213 NH1 ARG A 14 -6.514 7.424 -0.971 1.00 0.00 N ATOM 214 NH2 ARG A 14 -5.422 6.744 -2.845 1.00 0.00 N ATOM 0 H ARG A 14 -7.814 0.531 -2.981 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.538 2.076 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.456 1.860 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.988 2.780 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.533 4.029 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.110 3.269 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.795 4.537 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.185 4.603 -0.805 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.158 6.314 -3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.342 7.400 -0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.713 7.997 -0.706 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.404 6.192 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.616 7.314 -2.589 1.00 0.00 H new ATOM 228 N ARG A 15 -4.950 -0.207 -1.488 1.00 0.00 N ATOM 229 CA ARG A 15 -3.840 -0.921 -0.777 1.00 0.00 C ATOM 230 C ARG A 15 -2.893 -1.542 -1.811 1.00 0.00 C ATOM 231 O ARG A 15 -1.692 -1.544 -1.617 1.00 0.00 O ATOM 232 CB ARG A 15 -4.488 -2.017 0.076 1.00 0.00 C ATOM 233 CG ARG A 15 -5.010 -1.410 1.379 1.00 0.00 C ATOM 234 CD ARG A 15 -6.316 -2.095 1.780 1.00 0.00 C ATOM 235 NE ARG A 15 -6.641 -1.520 3.114 1.00 0.00 N ATOM 236 CZ ARG A 15 -7.724 -0.808 3.287 1.00 0.00 C ATOM 237 NH1 ARG A 15 -7.719 0.465 2.983 1.00 0.00 N ATOM 238 NH2 ARG A 15 -8.804 -1.374 3.765 1.00 0.00 N ATOM 0 H ARG A 15 -5.876 -0.603 -1.329 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.263 -0.240 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.306 -2.484 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.762 -2.800 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.269 -1.528 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.173 -0.340 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.108 -1.895 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.197 -3.177 1.832 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.013 -1.683 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.873 0.898 2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.561 1.024 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.798 -2.366 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.651 -0.822 3.902 1.00 0.00 H new ATOM 252 N LYS A 16 -3.422 -2.055 -2.902 1.00 0.00 N ATOM 253 CA LYS A 16 -2.557 -2.666 -3.961 1.00 0.00 C ATOM 254 C LYS A 16 -1.702 -1.555 -4.588 1.00 0.00 C ATOM 255 O LYS A 16 -0.529 -1.758 -4.844 1.00 0.00 O ATOM 256 CB LYS A 16 -3.502 -3.307 -4.984 1.00 0.00 C ATOM 257 CG LYS A 16 -2.757 -4.382 -5.781 1.00 0.00 C ATOM 258 CD LYS A 16 -2.643 -5.670 -4.957 1.00 0.00 C ATOM 259 CE LYS A 16 -1.564 -6.578 -5.563 1.00 0.00 C ATOM 260 NZ LYS A 16 -2.153 -7.949 -5.623 1.00 0.00 N ATOM 0 H LYS A 16 -4.422 -2.075 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.879 -3.425 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.358 -3.748 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.891 -2.545 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.284 -4.584 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.763 -4.023 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.392 -5.431 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.601 -6.189 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.280 -6.233 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.661 -6.569 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.458 -8.608 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.406 -8.260 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.005 -7.935 -6.219 1.00 0.00 H new ATOM 274 N ILE A 17 -2.276 -0.391 -4.818 1.00 0.00 N ATOM 275 CA ILE A 17 -1.507 0.754 -5.410 1.00 0.00 C ATOM 276 C ILE A 17 -0.366 1.083 -4.432 1.00 0.00 C ATOM 277 O ILE A 17 0.752 1.332 -4.843 1.00 0.00 O ATOM 278 CB ILE A 17 -2.480 1.940 -5.532 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.622 1.610 -6.503 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.745 3.180 -6.052 1.00 0.00 C ATOM 281 CD1 ILE A 17 -4.853 2.452 -6.157 1.00 0.00 C ATOM 0 H ILE A 17 -3.255 -0.186 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.091 0.525 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.889 2.136 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.310 1.809 -7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.867 0.549 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.446 4.011 -6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.946 3.446 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.320 2.966 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.662 2.215 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.170 2.231 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.605 3.510 -6.238 1.00 0.00 H new ATOM 293 N ALA A 18 -0.660 1.065 -3.148 1.00 0.00 N ATOM 294 CA ALA A 18 0.369 1.353 -2.103 1.00 0.00 C ATOM 295 C ALA A 18 1.409 0.224 -2.102 1.00 0.00 C ATOM 296 O ALA A 18 2.580 0.496 -1.947 1.00 0.00 O ATOM 297 CB ALA A 18 -0.380 1.422 -0.768 1.00 0.00 C ATOM 0 H ALA A 18 -1.588 0.858 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 18 0.898 2.288 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.327 1.631 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.127 2.215 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.874 0.469 -0.578 1.00 0.00 H new ATOM 303 N LYS A 19 1.001 -1.018 -2.279 1.00 0.00 N ATOM 304 CA LYS A 19 1.965 -2.172 -2.301 1.00 0.00 C ATOM 305 C LYS A 19 3.087 -1.934 -3.325 1.00 0.00 C ATOM 306 O LYS A 19 4.201 -2.384 -3.129 1.00 0.00 O ATOM 307 CB LYS A 19 1.161 -3.411 -2.711 1.00 0.00 C ATOM 308 CG LYS A 19 1.413 -4.558 -1.725 1.00 0.00 C ATOM 309 CD LYS A 19 0.108 -5.316 -1.465 1.00 0.00 C ATOM 310 CE LYS A 19 -0.841 -4.444 -0.633 1.00 0.00 C ATOM 311 NZ LYS A 19 -1.425 -5.335 0.411 1.00 0.00 N ATOM 0 H LYS A 19 0.025 -1.283 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 19 2.429 -2.293 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.098 -3.171 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.443 -3.719 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.164 -5.237 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.808 -4.164 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.363 -5.583 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.316 -6.248 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.305 -3.612 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.623 -4.015 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.080 -4.789 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.940 -6.114 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.662 -5.724 1.002 1.00 0.00 H new ATOM 325 N ARG A 20 2.801 -1.235 -4.401 1.00 0.00 N ATOM 326 CA ARG A 20 3.843 -0.957 -5.439 1.00 0.00 C ATOM 327 C ARG A 20 4.597 0.350 -5.135 1.00 0.00 C ATOM 328 O ARG A 20 5.671 0.552 -5.667 1.00 0.00 O ATOM 329 CB ARG A 20 3.090 -0.879 -6.770 1.00 0.00 C ATOM 330 CG ARG A 20 2.927 -2.292 -7.339 1.00 0.00 C ATOM 331 CD ARG A 20 1.531 -2.451 -7.950 1.00 0.00 C ATOM 332 NE ARG A 20 1.687 -3.470 -9.030 1.00 0.00 N ATOM 333 CZ ARG A 20 1.886 -3.099 -10.268 1.00 0.00 C ATOM 334 NH1 ARG A 20 0.862 -2.832 -11.039 1.00 0.00 N ATOM 335 NH2 ARG A 20 3.109 -2.999 -10.726 1.00 0.00 N ATOM 0 H ARG A 20 1.881 -0.843 -4.604 1.00 0.00 H new ATOM 0 HA ARG A 20 4.605 -1.736 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.113 -0.418 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.636 -0.251 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.688 -2.478 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.075 -3.030 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.809 -2.778 -7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.167 -1.505 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 20 1.638 -4.463 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.087 -2.914 -10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.013 -2.542 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.900 -3.210 -10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.270 -2.710 -11.691 1.00 0.00 H new ATOM 349 N SER A 21 4.065 1.220 -4.303 1.00 0.00 N ATOM 350 CA SER A 21 4.750 2.508 -3.960 1.00 0.00 C ATOM 351 C SER A 21 5.500 2.383 -2.622 1.00 0.00 C ATOM 352 O SER A 21 6.586 2.916 -2.488 1.00 0.00 O ATOM 353 CB SER A 21 3.638 3.560 -3.864 1.00 0.00 C ATOM 354 OG SER A 21 4.128 4.812 -4.331 1.00 0.00 O ATOM 0 H SER A 21 3.166 1.086 -3.839 1.00 0.00 H new ATOM 0 HA SER A 21 5.492 2.780 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.777 3.250 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.298 3.652 -2.833 1.00 0.00 H new ATOM 0 HG SER A 21 3.417 5.484 -4.272 1.00 0.00 H new ATOM 360 N ILE A 22 4.931 1.690 -1.655 1.00 0.00 N ATOM 361 CA ILE A 22 5.575 1.502 -0.311 1.00 0.00 C ATOM 362 C ILE A 22 7.006 0.967 -0.480 1.00 0.00 C ATOM 363 O ILE A 22 7.913 1.479 0.150 1.00 0.00 O ATOM 364 CB ILE A 22 4.662 0.527 0.463 1.00 0.00 C ATOM 365 CG1 ILE A 22 3.369 1.244 0.878 1.00 0.00 C ATOM 366 CG2 ILE A 22 5.350 -0.003 1.727 1.00 0.00 C ATOM 367 CD1 ILE A 22 2.268 0.220 1.175 1.00 0.00 C ATOM 0 H ILE A 22 4.022 1.236 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 22 5.673 2.437 0.240 1.00 0.00 H new ATOM 0 HB ILE A 22 4.441 -0.312 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.552 1.858 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.046 1.916 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.679 -0.686 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.263 -0.531 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.598 0.831 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.356 0.741 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.075 -0.376 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.589 -0.434 1.986 1.00 0.00 H new ATOM 379 N LYS A 23 7.209 -0.030 -1.318 1.00 0.00 N ATOM 380 CA LYS A 23 8.579 -0.605 -1.547 1.00 0.00 C ATOM 381 C LYS A 23 9.566 0.489 -1.983 1.00 0.00 C ATOM 382 O LYS A 23 10.724 0.447 -1.607 1.00 0.00 O ATOM 383 CB LYS A 23 8.443 -1.667 -2.644 1.00 0.00 C ATOM 384 CG LYS A 23 8.222 -3.044 -2.007 1.00 0.00 C ATOM 385 CD LYS A 23 8.328 -4.139 -3.071 1.00 0.00 C ATOM 386 CE LYS A 23 7.058 -4.155 -3.932 1.00 0.00 C ATOM 387 NZ LYS A 23 7.512 -4.106 -5.354 1.00 0.00 N ATOM 0 H LYS A 23 6.470 -0.476 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 23 8.968 -1.041 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.608 -1.421 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.340 -1.682 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.961 -3.214 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.241 -3.081 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.202 -3.965 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.467 -5.109 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.472 -5.054 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.420 -3.303 -3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.684 -4.115 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.059 -3.236 -5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.109 -4.933 -5.556 1.00 0.00 H new ATOM 401 N THR A 24 9.124 1.458 -2.756 1.00 0.00 N ATOM 402 CA THR A 24 10.030 2.560 -3.207 1.00 0.00 C ATOM 403 C THR A 24 10.277 3.509 -2.026 1.00 0.00 C ATOM 404 O THR A 24 11.362 4.042 -1.902 1.00 0.00 O ATOM 405 CB THR A 24 9.348 3.306 -4.364 1.00 0.00 C ATOM 406 OG1 THR A 24 8.589 2.409 -5.167 1.00 0.00 O ATOM 407 CG2 THR A 24 10.421 3.977 -5.225 1.00 0.00 C ATOM 0 H THR A 24 8.165 1.530 -3.095 1.00 0.00 H new ATOM 0 HA THR A 24 10.986 2.165 -3.549 1.00 0.00 H new ATOM 0 HB THR A 24 8.672 4.055 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.162 2.905 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.946 4.509 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.988 4.682 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.095 3.218 -5.623 1.00 0.00 H new ATOM 415 N LEU A 25 9.301 3.709 -1.166 1.00 0.00 N ATOM 416 CA LEU A 25 9.479 4.610 0.018 1.00 0.00 C ATOM 417 C LEU A 25 10.489 3.965 0.981 1.00 0.00 C ATOM 418 O LEU A 25 11.274 4.658 1.592 1.00 0.00 O ATOM 419 CB LEU A 25 8.101 4.730 0.684 1.00 0.00 C ATOM 420 CG LEU A 25 8.105 5.866 1.715 1.00 0.00 C ATOM 421 CD1 LEU A 25 6.798 6.657 1.620 1.00 0.00 C ATOM 422 CD2 LEU A 25 8.238 5.287 3.127 1.00 0.00 C ATOM 0 H LEU A 25 8.378 3.280 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 25 9.854 5.594 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.339 4.919 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.841 3.790 1.170 1.00 0.00 H new ATOM 0 HG LEU A 25 8.948 6.525 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.806 7.463 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.700 7.079 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.956 5.994 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.240 6.099 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.398 4.622 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.170 4.728 3.205 1.00 0.00 H new ATOM 434 N GLU A 26 10.460 2.658 1.106 1.00 0.00 N ATOM 435 CA GLU A 26 11.396 1.919 2.013 1.00 0.00 C ATOM 436 C GLU A 26 12.765 1.739 1.348 1.00 0.00 C ATOM 437 O GLU A 26 13.780 1.997 1.969 1.00 0.00 O ATOM 438 CB GLU A 26 10.757 0.545 2.249 1.00 0.00 C ATOM 439 CG GLU A 26 9.405 0.677 2.956 1.00 0.00 C ATOM 440 CD GLU A 26 8.589 -0.611 2.787 1.00 0.00 C ATOM 441 OE1 GLU A 26 8.323 -1.000 1.659 1.00 0.00 O ATOM 442 OE2 GLU A 26 8.239 -1.188 3.801 1.00 0.00 O ATOM 0 H GLU A 26 9.808 2.057 0.602 1.00 0.00 H new ATOM 0 HA GLU A 26 11.552 2.465 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.623 0.035 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.426 -0.072 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.559 0.882 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.853 1.522 2.545 1.00 0.00 H new ATOM 449 N HIS A 27 12.791 1.295 0.109 1.00 0.00 N ATOM 450 CA HIS A 27 14.064 1.072 -0.651 1.00 0.00 C ATOM 451 C HIS A 27 15.101 0.228 0.121 1.00 0.00 C ATOM 452 O HIS A 27 16.272 0.276 -0.209 1.00 0.00 O ATOM 453 CB HIS A 27 14.601 2.476 -0.961 1.00 0.00 C ATOM 454 CG HIS A 27 14.633 2.675 -2.452 1.00 0.00 C ATOM 455 ND1 HIS A 27 13.592 3.272 -3.145 1.00 0.00 N ATOM 456 CD2 HIS A 27 15.575 2.350 -3.397 1.00 0.00 C ATOM 457 CE1 HIS A 27 13.927 3.291 -4.445 1.00 0.00 C ATOM 458 NE2 HIS A 27 15.126 2.741 -4.656 1.00 0.00 N ATOM 0 H HIS A 27 11.950 1.071 -0.423 1.00 0.00 H new ATOM 0 HA HIS A 27 13.871 0.492 -1.554 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.969 3.231 -0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 27 15.601 2.596 -0.544 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.728 3.632 -2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 27 16.519 1.866 -3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.303 3.701 -5.225 1.00 0.00 H new ATOM 466 N LYS A 28 14.702 -0.533 1.126 1.00 0.00 N ATOM 467 CA LYS A 28 15.648 -1.380 1.935 1.00 0.00 C ATOM 468 C LYS A 28 16.793 -0.512 2.494 1.00 0.00 C ATOM 469 O LYS A 28 17.925 -0.950 2.597 1.00 0.00 O ATOM 470 CB LYS A 28 16.190 -2.482 1.009 1.00 0.00 C ATOM 471 CG LYS A 28 15.056 -3.216 0.281 1.00 0.00 C ATOM 472 CD LYS A 28 15.022 -2.794 -1.195 1.00 0.00 C ATOM 473 CE LYS A 28 13.589 -2.460 -1.629 1.00 0.00 C ATOM 474 NZ LYS A 28 12.905 -3.770 -1.849 1.00 0.00 N ATOM 0 H LYS A 28 13.729 -0.601 1.425 1.00 0.00 H new ATOM 0 HA LYS A 28 15.136 -1.828 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.868 -2.043 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.770 -3.196 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.201 -4.294 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.101 -2.989 0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.665 -1.927 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.418 -3.596 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.076 -1.877 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.587 -1.862 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.923 -3.603 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.405 -4.303 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.910 -4.317 -0.965 1.00 0.00 H new ATOM 488 N ARG A 29 16.486 0.719 2.846 1.00 0.00 N ATOM 489 CA ARG A 29 17.488 1.691 3.403 1.00 0.00 C ATOM 490 C ARG A 29 16.796 2.987 3.866 1.00 0.00 C ATOM 491 O ARG A 29 17.125 3.502 4.913 1.00 0.00 O ATOM 492 CB ARG A 29 18.511 1.979 2.288 1.00 0.00 C ATOM 493 CG ARG A 29 17.860 2.653 1.072 1.00 0.00 C ATOM 494 CD ARG A 29 18.718 2.418 -0.178 1.00 0.00 C ATOM 495 NE ARG A 29 19.345 3.737 -0.489 1.00 0.00 N ATOM 496 CZ ARG A 29 20.531 4.037 -0.033 1.00 0.00 C ATOM 497 NH1 ARG A 29 21.598 3.663 -0.691 1.00 0.00 N ATOM 498 NH2 ARG A 29 20.638 4.714 1.082 1.00 0.00 N ATOM 0 H ARG A 29 15.544 1.103 2.766 1.00 0.00 H new ATOM 0 HA ARG A 29 17.985 1.271 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 29 19.302 2.620 2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 29 18.981 1.046 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.858 2.252 0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.751 3.722 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.477 1.657 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.109 2.067 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 29 18.841 4.412 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 29 21.503 3.137 -1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 29 22.525 3.897 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.799 5.002 1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 29 21.560 4.953 1.447 1.00 0.00 H new ATOM 512 N GLU A 30 15.849 3.496 3.104 1.00 0.00 N ATOM 513 CA GLU A 30 15.102 4.749 3.463 1.00 0.00 C ATOM 514 C GLU A 30 14.434 4.612 4.842 1.00 0.00 C ATOM 515 O GLU A 30 14.233 5.597 5.526 1.00 0.00 O ATOM 516 CB GLU A 30 14.036 4.907 2.372 1.00 0.00 C ATOM 517 CG GLU A 30 13.926 6.358 1.892 1.00 0.00 C ATOM 518 CD GLU A 30 13.319 7.256 2.980 1.00 0.00 C ATOM 519 OE1 GLU A 30 12.249 6.944 3.481 1.00 0.00 O ATOM 520 OE2 GLU A 30 13.944 8.254 3.295 1.00 0.00 O ATOM 0 H GLU A 30 15.556 3.079 2.220 1.00 0.00 H new ATOM 0 HA GLU A 30 15.767 5.611 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.281 4.262 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.071 4.577 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.914 6.730 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.309 6.402 0.994 1.00 0.00 H new ATOM 527 N ASN A 31 14.096 3.408 5.248 1.00 0.00 N ATOM 528 CA ASN A 31 13.448 3.189 6.578 1.00 0.00 C ATOM 529 C ASN A 31 14.511 2.971 7.669 1.00 0.00 C ATOM 530 O ASN A 31 14.369 3.485 8.762 1.00 0.00 O ATOM 531 CB ASN A 31 12.588 1.929 6.420 1.00 0.00 C ATOM 532 CG ASN A 31 11.656 1.787 7.629 1.00 0.00 C ATOM 533 OD1 ASN A 31 10.505 2.169 7.567 1.00 0.00 O ATOM 534 ND2 ASN A 31 12.099 1.253 8.736 1.00 0.00 N ATOM 0 H ASN A 31 14.245 2.558 4.704 1.00 0.00 H new ATOM 0 HA ASN A 31 12.853 4.052 6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.003 1.989 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.226 1.049 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.479 1.159 9.541 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.065 0.930 8.796 1.00 0.00 H new ATOM 541 N ALA A 32 15.551 2.217 7.387 1.00 0.00 N ATOM 542 CA ALA A 32 16.622 1.948 8.400 1.00 0.00 C ATOM 543 C ALA A 32 17.854 2.846 8.210 1.00 0.00 C ATOM 544 O ALA A 32 18.609 2.669 7.269 1.00 0.00 O ATOM 545 CB ALA A 32 16.992 0.474 8.206 1.00 0.00 C ATOM 0 H ALA A 32 15.703 1.771 6.483 1.00 0.00 H new ATOM 0 HA ALA A 32 16.265 2.163 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.774 0.199 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.113 -0.147 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.353 0.320 7.189 1.00 0.00 H new ATOM 551 N LYS A 33 18.046 3.792 9.108 1.00 0.00 N ATOM 552 CA LYS A 33 19.205 4.749 9.071 1.00 0.00 C ATOM 553 C LYS A 33 19.171 5.672 7.839 1.00 0.00 C ATOM 554 O LYS A 33 18.508 5.396 6.858 1.00 0.00 O ATOM 555 CB LYS A 33 20.478 3.886 9.079 1.00 0.00 C ATOM 556 CG LYS A 33 21.522 4.446 10.055 1.00 0.00 C ATOM 557 CD LYS A 33 22.875 4.608 9.353 1.00 0.00 C ATOM 558 CE LYS A 33 22.853 5.866 8.481 1.00 0.00 C ATOM 559 NZ LYS A 33 24.150 5.919 7.748 1.00 0.00 N ATOM 0 H LYS A 33 17.418 3.944 9.897 1.00 0.00 H new ATOM 0 HA LYS A 33 19.166 5.417 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.226 2.863 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.900 3.846 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.188 5.409 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.626 3.778 10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.673 4.679 10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.085 3.732 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.017 5.835 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.722 6.757 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.085 6.615 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.908 6.198 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.363 4.982 7.351 1.00 0.00 H new ATOM 573 N GLU A 34 19.892 6.767 7.898 1.00 0.00 N ATOM 574 CA GLU A 34 19.937 7.732 6.756 1.00 0.00 C ATOM 575 C GLU A 34 21.222 7.498 5.947 1.00 0.00 C ATOM 576 O GLU A 34 22.286 7.938 6.363 1.00 0.00 O ATOM 577 CB GLU A 34 19.893 9.133 7.385 1.00 0.00 C ATOM 578 CG GLU A 34 18.501 9.403 7.967 1.00 0.00 C ATOM 579 CD GLU A 34 18.599 10.439 9.089 1.00 0.00 C ATOM 580 OE1 GLU A 34 18.846 10.042 10.215 1.00 0.00 O ATOM 581 OE2 GLU A 34 18.425 11.611 8.801 1.00 0.00 O ATOM 582 OXT GLU A 34 21.124 6.865 4.911 1.00 0.00 O ATOM 0 H GLU A 34 20.459 7.035 8.702 1.00 0.00 H new ATOM 0 HA GLU A 34 19.104 7.609 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.646 9.212 8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 34 20.135 9.885 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.833 9.763 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.072 8.478 8.351 1.00 0.00 H new TER 589 GLU A 34