USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 Set 1.1: A 58 GLN : amide:sc= -0.914 X(o=-0.91,f=-0.62) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.16! C(o=-1.2!,f=-9.2!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00661) USER MOD Single : A 29 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 52:sc= -2.79! USER MOD Single : A 50 THR OG1 : rot -81:sc= 0.965 USER MOD Single : A 57 THR OG1 : rot 121:sc= -2.58! USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 64 SER OG : rot 180:sc= -4.15! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 11.171 8.883 -6.494 1.00 0.00 N ATOM 57 CA VAL A 5 9.691 8.898 -6.663 1.00 0.00 C ATOM 58 C VAL A 5 9.296 7.848 -7.703 1.00 0.00 C ATOM 59 O VAL A 5 9.991 7.641 -8.678 1.00 0.00 O ATOM 60 CB VAL A 5 9.254 10.284 -7.138 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.780 10.500 -6.800 1.00 0.00 C ATOM 62 CG2 VAL A 5 10.097 11.347 -6.430 1.00 0.00 C ATOM 0 HA VAL A 5 9.205 8.671 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 5 9.393 10.360 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.470 11.488 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.177 9.740 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.639 10.426 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.790 12.338 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.953 11.267 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.150 11.194 -6.668 1.00 0.00 H new ATOM 72 N SER A 6 8.196 7.171 -7.506 1.00 0.00 N ATOM 73 CA SER A 6 7.795 6.129 -8.495 1.00 0.00 C ATOM 74 C SER A 6 6.709 6.653 -9.434 1.00 0.00 C ATOM 75 O SER A 6 5.591 6.906 -9.031 1.00 0.00 O ATOM 76 CB SER A 6 7.250 4.893 -7.774 1.00 0.00 C ATOM 77 OG SER A 6 8.025 4.649 -6.607 1.00 0.00 O ATOM 0 H SER A 6 7.565 7.292 -6.714 1.00 0.00 H new ATOM 0 HA SER A 6 8.682 5.869 -9.073 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.205 5.046 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.285 4.027 -8.435 1.00 0.00 H new ATOM 0 HG SER A 6 7.677 3.859 -6.143 1.00 0.00 H new ATOM 83 N LYS A 7 7.020 6.759 -10.696 1.00 0.00 N ATOM 84 CA LYS A 7 5.999 7.197 -11.680 1.00 0.00 C ATOM 85 C LYS A 7 5.266 5.933 -12.116 1.00 0.00 C ATOM 86 O LYS A 7 5.766 5.158 -12.910 1.00 0.00 O ATOM 87 CB LYS A 7 6.675 7.854 -12.886 1.00 0.00 C ATOM 88 CG LYS A 7 5.636 8.641 -13.686 1.00 0.00 C ATOM 89 CD LYS A 7 6.131 8.831 -15.122 1.00 0.00 C ATOM 90 CE LYS A 7 5.160 9.737 -15.882 1.00 0.00 C ATOM 91 NZ LYS A 7 5.839 11.018 -16.225 1.00 0.00 N ATOM 0 H LYS A 7 7.941 6.560 -11.087 1.00 0.00 H new ATOM 0 HA LYS A 7 5.316 7.928 -11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.472 8.518 -12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.136 7.094 -13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.684 8.111 -13.686 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.461 9.610 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.128 9.271 -15.119 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.210 7.865 -15.621 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.818 9.240 -16.790 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.277 9.933 -15.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.179 11.633 -16.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.145 11.493 -15.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.668 10.822 -16.821 1.00 0.00 H new ATOM 105 N LEU A 8 4.121 5.681 -11.558 1.00 0.00 N ATOM 106 CA LEU A 8 3.407 4.424 -11.896 1.00 0.00 C ATOM 107 C LEU A 8 2.317 4.647 -12.938 1.00 0.00 C ATOM 108 O LEU A 8 1.441 5.474 -12.784 1.00 0.00 O ATOM 109 CB LEU A 8 2.754 3.858 -10.630 1.00 0.00 C ATOM 110 CG LEU A 8 3.698 2.875 -9.929 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.929 2.130 -8.834 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.236 1.859 -10.939 1.00 0.00 C ATOM 0 H LEU A 8 3.650 6.287 -10.886 1.00 0.00 H new ATOM 0 HA LEU A 8 4.141 3.731 -12.307 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.498 4.672 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.823 3.354 -10.889 1.00 0.00 H new ATOM 0 HG LEU A 8 4.530 3.427 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.597 1.430 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.543 2.846 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.098 1.583 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.906 1.164 -10.434 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.405 1.307 -11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.781 2.381 -11.725 1.00 0.00 H new ATOM 124 N ARG A 9 2.336 3.847 -13.965 1.00 0.00 N ATOM 125 CA ARG A 9 1.274 3.918 -14.997 1.00 0.00 C ATOM 126 C ARG A 9 0.495 2.618 -14.855 1.00 0.00 C ATOM 127 O ARG A 9 0.961 1.560 -15.223 1.00 0.00 O ATOM 128 CB ARG A 9 1.895 4.011 -16.391 1.00 0.00 C ATOM 129 CG ARG A 9 0.842 4.501 -17.387 1.00 0.00 C ATOM 130 CD ARG A 9 0.715 6.023 -17.289 1.00 0.00 C ATOM 131 NE ARG A 9 -0.266 6.505 -18.301 1.00 0.00 N ATOM 132 CZ ARG A 9 -0.149 7.702 -18.805 1.00 0.00 C ATOM 133 NH1 ARG A 9 -0.964 8.649 -18.433 1.00 0.00 N ATOM 134 NH2 ARG A 9 0.786 7.951 -19.682 1.00 0.00 N ATOM 0 H ARG A 9 3.051 3.140 -14.133 1.00 0.00 H new ATOM 0 HA ARG A 9 0.638 4.794 -14.870 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.744 4.694 -16.378 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.275 3.036 -16.697 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.123 4.213 -18.400 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.119 4.031 -17.177 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.391 6.308 -16.288 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.685 6.491 -17.455 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.030 5.898 -18.600 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.694 8.454 -17.747 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.872 9.585 -18.827 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.424 7.210 -19.972 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.879 8.887 -20.077 1.00 0.00 H new ATOM 148 N ILE A 10 -0.659 2.672 -14.266 1.00 0.00 N ATOM 149 CA ILE A 10 -1.420 1.419 -14.039 1.00 0.00 C ATOM 150 C ILE A 10 -2.557 1.305 -15.056 1.00 0.00 C ATOM 151 O ILE A 10 -3.369 2.186 -15.191 1.00 0.00 O ATOM 152 CB ILE A 10 -1.970 1.444 -12.605 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.940 2.097 -11.660 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.244 0.016 -12.127 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.678 2.750 -10.498 1.00 0.00 C ATOM 0 H ILE A 10 -1.108 3.525 -13.933 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.772 0.552 -14.167 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.896 2.019 -12.595 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.241 1.347 -11.289 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.353 2.841 -12.199 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.634 0.041 -11.109 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.976 -0.454 -12.784 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.318 -0.558 -12.146 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.958 3.214 -9.824 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.359 3.510 -10.881 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.246 1.993 -9.956 1.00 0.00 H new ATOM 167 N ARG A 11 -2.613 0.228 -15.785 1.00 0.00 N ATOM 168 CA ARG A 11 -3.690 0.073 -16.799 1.00 0.00 C ATOM 169 C ARG A 11 -4.763 -0.885 -16.259 1.00 0.00 C ATOM 170 O ARG A 11 -4.507 -1.696 -15.393 1.00 0.00 O ATOM 171 CB ARG A 11 -3.063 -0.466 -18.099 1.00 0.00 C ATOM 172 CG ARG A 11 -4.002 -1.457 -18.796 1.00 0.00 C ATOM 173 CD ARG A 11 -3.891 -2.816 -18.107 1.00 0.00 C ATOM 174 NE ARG A 11 -3.252 -3.792 -19.034 1.00 0.00 N ATOM 175 CZ ARG A 11 -3.108 -5.039 -18.674 1.00 0.00 C ATOM 176 NH1 ARG A 11 -3.683 -5.477 -17.587 1.00 0.00 N ATOM 177 NH2 ARG A 11 -2.388 -5.849 -19.401 1.00 0.00 N ATOM 0 H ARG A 11 -1.959 -0.552 -15.723 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.167 1.031 -17.008 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.842 0.364 -18.771 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.115 -0.955 -17.874 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.030 -1.096 -18.753 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.739 -1.547 -19.850 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.302 -2.726 -17.194 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.880 -3.169 -17.815 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.927 -3.486 -19.951 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.246 -4.845 -17.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.570 -6.451 -17.307 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.938 -5.508 -20.250 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.275 -6.823 -19.120 1.00 0.00 H new ATOM 191 N THR A 12 -5.962 -0.791 -16.769 1.00 0.00 N ATOM 192 CA THR A 12 -7.055 -1.688 -16.292 1.00 0.00 C ATOM 193 C THR A 12 -7.470 -2.631 -17.427 1.00 0.00 C ATOM 194 O THR A 12 -6.945 -2.547 -18.520 1.00 0.00 O ATOM 195 CB THR A 12 -8.271 -0.852 -15.855 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.297 -0.956 -16.833 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.874 0.618 -15.694 1.00 0.00 C ATOM 0 H THR A 12 -6.232 -0.130 -17.497 1.00 0.00 H new ATOM 0 HA THR A 12 -6.695 -2.268 -15.442 1.00 0.00 H new ATOM 0 HB THR A 12 -8.632 -1.231 -14.899 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.071 -0.424 -16.553 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.744 1.198 -15.385 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.093 0.703 -14.938 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.502 1.001 -16.644 1.00 0.00 H new ATOM 205 N PRO A 13 -8.404 -3.502 -17.132 1.00 0.00 N ATOM 206 CA PRO A 13 -8.917 -4.475 -18.111 1.00 0.00 C ATOM 207 C PRO A 13 -9.928 -3.808 -19.048 1.00 0.00 C ATOM 208 O PRO A 13 -10.223 -4.308 -20.116 1.00 0.00 O ATOM 209 CB PRO A 13 -9.599 -5.533 -17.239 1.00 0.00 C ATOM 210 CG PRO A 13 -9.939 -4.841 -15.896 1.00 0.00 C ATOM 211 CD PRO A 13 -9.032 -3.599 -15.797 1.00 0.00 C ATOM 0 HA PRO A 13 -8.139 -4.892 -18.751 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.501 -5.910 -17.721 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.941 -6.388 -17.080 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.991 -4.556 -15.863 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.765 -5.516 -15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.607 -2.704 -15.561 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.284 -3.713 -15.012 1.00 0.00 H new ATOM 219 N SER A 14 -10.463 -2.684 -18.655 1.00 0.00 N ATOM 220 CA SER A 14 -11.456 -1.987 -19.521 1.00 0.00 C ATOM 221 C SER A 14 -10.729 -1.040 -20.478 1.00 0.00 C ATOM 222 O SER A 14 -11.342 -0.371 -21.287 1.00 0.00 O ATOM 223 CB SER A 14 -12.420 -1.186 -18.645 1.00 0.00 C ATOM 224 OG SER A 14 -13.698 -1.148 -19.266 1.00 0.00 O ATOM 0 H SER A 14 -10.255 -2.218 -17.772 1.00 0.00 H new ATOM 0 HA SER A 14 -12.014 -2.724 -20.098 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.496 -1.641 -17.658 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.043 -0.174 -18.501 1.00 0.00 H new ATOM 0 HG SER A 14 -14.319 -0.636 -18.706 1.00 0.00 H new ATOM 230 N GLY A 15 -9.428 -0.976 -20.395 1.00 0.00 N ATOM 231 CA GLY A 15 -8.668 -0.069 -21.303 1.00 0.00 C ATOM 232 C GLY A 15 -8.470 1.287 -20.624 1.00 0.00 C ATOM 233 O GLY A 15 -8.249 2.290 -21.273 1.00 0.00 O ATOM 0 H GLY A 15 -8.859 -1.511 -19.739 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.701 -0.509 -21.548 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.207 0.058 -22.242 1.00 0.00 H new ATOM 237 N GLU A 16 -8.547 1.327 -19.322 1.00 0.00 N ATOM 238 CA GLU A 16 -8.362 2.619 -18.602 1.00 0.00 C ATOM 239 C GLU A 16 -6.910 2.737 -18.133 1.00 0.00 C ATOM 240 O GLU A 16 -6.178 1.769 -18.104 1.00 0.00 O ATOM 241 CB GLU A 16 -9.295 2.663 -17.389 1.00 0.00 C ATOM 242 CG GLU A 16 -10.313 3.791 -17.566 1.00 0.00 C ATOM 243 CD GLU A 16 -11.227 3.474 -18.750 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.314 2.311 -19.111 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.824 4.397 -19.277 1.00 0.00 O ATOM 0 H GLU A 16 -8.730 0.520 -18.725 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.596 3.447 -19.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.810 1.709 -17.279 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.717 2.821 -16.478 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.904 3.907 -16.658 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.798 4.737 -17.734 1.00 0.00 H new ATOM 252 N PHE A 17 -6.488 3.916 -17.761 1.00 0.00 N ATOM 253 CA PHE A 17 -5.083 4.088 -17.293 1.00 0.00 C ATOM 254 C PHE A 17 -5.057 5.011 -16.073 1.00 0.00 C ATOM 255 O PHE A 17 -5.518 6.135 -16.119 1.00 0.00 O ATOM 256 CB PHE A 17 -4.239 4.711 -18.410 1.00 0.00 C ATOM 257 CG PHE A 17 -3.485 3.632 -19.154 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.244 3.181 -18.680 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.026 3.086 -20.325 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.548 2.185 -19.379 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.330 2.092 -21.022 1.00 0.00 C ATOM 262 CZ PHE A 17 -2.091 1.641 -20.550 1.00 0.00 C ATOM 0 H PHE A 17 -7.054 4.765 -17.761 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.675 3.113 -17.026 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.881 5.258 -19.100 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.538 5.431 -17.988 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.825 3.601 -17.777 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.981 3.433 -20.690 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.593 1.837 -19.015 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.749 1.672 -21.925 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.554 0.874 -21.089 1.00 0.00 H new ATOM 272 N LEU A 18 -4.499 4.551 -14.987 1.00 0.00 N ATOM 273 CA LEU A 18 -4.412 5.395 -13.769 1.00 0.00 C ATOM 274 C LEU A 18 -2.987 5.912 -13.656 1.00 0.00 C ATOM 275 O LEU A 18 -2.070 5.183 -13.323 1.00 0.00 O ATOM 276 CB LEU A 18 -4.729 4.585 -12.508 1.00 0.00 C ATOM 277 CG LEU A 18 -6.006 3.772 -12.692 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.124 4.658 -13.244 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.733 2.631 -13.663 1.00 0.00 C ATOM 0 H LEU A 18 -4.097 3.618 -14.894 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.133 6.208 -13.852 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.898 3.918 -12.281 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.840 5.257 -11.657 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.320 3.373 -11.727 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.030 4.065 -13.370 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.319 5.474 -12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.821 5.068 -14.208 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.642 2.045 -13.800 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.416 3.038 -14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.946 1.992 -13.262 1.00 0.00 H new ATOM 291 N GLU A 19 -2.795 7.160 -13.926 1.00 0.00 N ATOM 292 CA GLU A 19 -1.425 7.735 -13.824 1.00 0.00 C ATOM 293 C GLU A 19 -1.179 8.115 -12.369 1.00 0.00 C ATOM 294 O GLU A 19 -1.943 8.852 -11.776 1.00 0.00 O ATOM 295 CB GLU A 19 -1.312 8.973 -14.715 1.00 0.00 C ATOM 296 CG GLU A 19 -2.339 10.017 -14.271 1.00 0.00 C ATOM 297 CD GLU A 19 -1.663 11.042 -13.359 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.592 11.504 -13.713 1.00 0.00 O ATOM 299 OE2 GLU A 19 -2.228 11.346 -12.322 1.00 0.00 O ATOM 0 H GLU A 19 -3.523 7.814 -14.214 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.684 7.007 -14.153 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.306 9.388 -14.653 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.481 8.701 -15.757 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.767 10.515 -15.141 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.161 9.533 -13.745 1.00 0.00 H new ATOM 306 N ARG A 20 -0.145 7.596 -11.768 1.00 0.00 N ATOM 307 CA ARG A 20 0.092 7.918 -10.337 1.00 0.00 C ATOM 308 C ARG A 20 1.569 8.175 -10.052 1.00 0.00 C ATOM 309 O ARG A 20 2.422 7.356 -10.325 1.00 0.00 O ATOM 310 CB ARG A 20 -0.361 6.732 -9.491 1.00 0.00 C ATOM 311 CG ARG A 20 -0.859 7.228 -8.134 1.00 0.00 C ATOM 312 CD ARG A 20 -1.974 8.257 -8.339 1.00 0.00 C ATOM 313 NE ARG A 20 -1.400 9.630 -8.253 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.001 10.625 -8.846 1.00 0.00 C ATOM 315 NH1 ARG A 20 -3.301 10.725 -8.798 1.00 0.00 N ATOM 316 NH2 ARG A 20 -1.300 11.521 -9.486 1.00 0.00 N ATOM 0 H ARG A 20 0.536 6.972 -12.200 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.468 8.821 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.155 6.189 -10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.465 6.034 -9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.228 6.390 -7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.037 7.675 -7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.447 8.109 -9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.748 8.126 -7.583 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.539 9.792 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.848 10.025 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.770 11.503 -9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.284 11.443 -9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.769 12.299 -9.950 1.00 0.00 H new ATOM 330 N ARG A 21 1.863 9.287 -9.443 1.00 0.00 N ATOM 331 CA ARG A 21 3.268 9.581 -9.066 1.00 0.00 C ATOM 332 C ARG A 21 3.340 9.467 -7.546 1.00 0.00 C ATOM 333 O ARG A 21 2.644 10.165 -6.837 1.00 0.00 O ATOM 334 CB ARG A 21 3.642 11.001 -9.501 1.00 0.00 C ATOM 335 CG ARG A 21 5.069 11.315 -9.048 1.00 0.00 C ATOM 336 CD ARG A 21 5.925 11.666 -10.266 1.00 0.00 C ATOM 337 NE ARG A 21 5.633 13.064 -10.693 1.00 0.00 N ATOM 338 CZ ARG A 21 6.549 13.765 -11.301 1.00 0.00 C ATOM 339 NH1 ARG A 21 7.581 13.171 -11.833 1.00 0.00 N ATOM 340 NH2 ARG A 21 6.433 15.063 -11.379 1.00 0.00 N ATOM 0 H ARG A 21 1.187 10.007 -9.190 1.00 0.00 H new ATOM 0 HA ARG A 21 3.959 8.891 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.565 11.093 -10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.946 11.720 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.063 12.146 -8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.494 10.457 -8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.982 11.562 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.716 10.974 -11.082 1.00 0.00 H new ATOM 0 HE ARG A 21 4.716 13.472 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.672 12.157 -11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.297 13.721 -12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.626 15.529 -10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.150 15.611 -11.855 1.00 0.00 H new ATOM 354 N PHE A 22 4.139 8.580 -7.028 1.00 0.00 N ATOM 355 CA PHE A 22 4.185 8.433 -5.549 1.00 0.00 C ATOM 356 C PHE A 22 5.527 8.865 -4.988 1.00 0.00 C ATOM 357 O PHE A 22 6.567 8.620 -5.565 1.00 0.00 O ATOM 358 CB PHE A 22 4.015 6.971 -5.152 1.00 0.00 C ATOM 359 CG PHE A 22 2.825 6.346 -5.813 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.534 6.642 -5.367 1.00 0.00 C ATOM 361 CD2 PHE A 22 3.019 5.438 -6.857 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.436 6.032 -5.975 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.923 4.829 -7.462 1.00 0.00 C ATOM 364 CZ PHE A 22 0.631 5.127 -7.022 1.00 0.00 C ATOM 0 H PHE A 22 4.754 7.959 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 22 3.382 9.056 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.913 6.415 -5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.908 6.899 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.387 7.339 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.019 5.209 -7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.564 6.259 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.071 4.128 -8.270 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.220 4.657 -7.492 1.00 0.00 H new ATOM 374 N LEU A 23 5.513 9.432 -3.818 1.00 0.00 N ATOM 375 CA LEU A 23 6.788 9.794 -3.168 1.00 0.00 C ATOM 376 C LEU A 23 7.355 8.488 -2.617 1.00 0.00 C ATOM 377 O LEU A 23 6.630 7.687 -2.071 1.00 0.00 O ATOM 378 CB LEU A 23 6.532 10.779 -2.025 1.00 0.00 C ATOM 379 CG LEU A 23 7.139 12.138 -2.377 1.00 0.00 C ATOM 380 CD1 LEU A 23 6.473 13.228 -1.535 1.00 0.00 C ATOM 381 CD2 LEU A 23 8.642 12.116 -2.084 1.00 0.00 C ATOM 0 H LEU A 23 4.672 9.659 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 23 7.477 10.271 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.461 10.881 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.970 10.402 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 23 6.977 12.345 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.905 14.197 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.403 13.244 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.636 13.021 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.076 13.084 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.803 11.909 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.118 11.339 -2.683 1.00 0.00 H new ATOM 393 N ALA A 24 8.613 8.238 -2.786 1.00 0.00 N ATOM 394 CA ALA A 24 9.180 6.948 -2.290 1.00 0.00 C ATOM 395 C ALA A 24 8.615 6.599 -0.903 1.00 0.00 C ATOM 396 O ALA A 24 8.550 5.442 -0.526 1.00 0.00 O ATOM 397 CB ALA A 24 10.699 7.066 -2.211 1.00 0.00 C ATOM 0 H ALA A 24 9.278 8.862 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 24 8.903 6.153 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.119 6.127 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.099 7.285 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.966 7.871 -1.526 1.00 0.00 H new ATOM 403 N SER A 25 8.212 7.581 -0.140 1.00 0.00 N ATOM 404 CA SER A 25 7.664 7.293 1.220 1.00 0.00 C ATOM 405 C SER A 25 6.162 7.004 1.141 1.00 0.00 C ATOM 406 O SER A 25 5.537 6.646 2.119 1.00 0.00 O ATOM 407 CB SER A 25 7.899 8.502 2.127 1.00 0.00 C ATOM 408 OG SER A 25 6.924 9.498 1.845 1.00 0.00 O ATOM 0 H SER A 25 8.238 8.567 -0.398 1.00 0.00 H new ATOM 0 HA SER A 25 8.171 6.418 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.838 8.203 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.900 8.902 1.967 1.00 0.00 H new ATOM 0 HG SER A 25 7.071 10.273 2.426 1.00 0.00 H new ATOM 414 N ASN A 26 5.578 7.157 -0.012 1.00 0.00 N ATOM 415 CA ASN A 26 4.118 6.892 -0.154 1.00 0.00 C ATOM 416 C ASN A 26 3.795 5.496 0.381 1.00 0.00 C ATOM 417 O ASN A 26 4.655 4.804 0.891 1.00 0.00 O ATOM 418 CB ASN A 26 3.726 6.979 -1.631 1.00 0.00 C ATOM 419 CG ASN A 26 2.800 8.177 -1.843 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.049 9.009 -2.693 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.735 8.302 -1.099 1.00 0.00 N ATOM 0 H ASN A 26 6.049 7.455 -0.866 1.00 0.00 H new ATOM 0 HA ASN A 26 3.558 7.634 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.618 7.081 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.227 6.061 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.111 9.098 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.526 7.603 -0.386 1.00 0.00 H new ATOM 428 N LYS A 27 2.562 5.077 0.276 1.00 0.00 N ATOM 429 CA LYS A 27 2.193 3.727 0.791 1.00 0.00 C ATOM 430 C LYS A 27 1.361 2.975 -0.253 1.00 0.00 C ATOM 431 O LYS A 27 0.496 3.532 -0.912 1.00 0.00 O ATOM 432 CB LYS A 27 1.376 3.875 2.077 1.00 0.00 C ATOM 433 CG LYS A 27 1.840 5.119 2.839 1.00 0.00 C ATOM 434 CD LYS A 27 1.188 6.363 2.232 1.00 0.00 C ATOM 435 CE LYS A 27 0.413 7.113 3.317 1.00 0.00 C ATOM 436 NZ LYS A 27 1.373 7.755 4.258 1.00 0.00 N ATOM 0 H LYS A 27 1.798 5.608 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 27 3.104 3.165 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.315 3.956 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.496 2.989 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.574 5.033 3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.926 5.204 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.950 7.012 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.517 6.077 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.229 7.868 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.237 6.424 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.849 8.321 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.922 7.020 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.019 8.373 3.727 1.00 0.00 H new ATOM 450 N LEU A 28 1.608 1.702 -0.401 1.00 0.00 N ATOM 451 CA LEU A 28 0.825 0.913 -1.386 1.00 0.00 C ATOM 452 C LEU A 28 -0.663 1.121 -1.103 1.00 0.00 C ATOM 453 O LEU A 28 -1.461 1.278 -2.007 1.00 0.00 O ATOM 454 CB LEU A 28 1.160 -0.570 -1.242 1.00 0.00 C ATOM 455 CG LEU A 28 1.483 -1.184 -2.603 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.531 -0.377 -3.355 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.991 -2.603 -2.387 1.00 0.00 C ATOM 0 H LEU A 28 2.315 1.179 0.116 1.00 0.00 H new ATOM 0 HA LEU A 28 1.068 1.239 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.010 -0.693 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.319 -1.096 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 28 0.575 -1.184 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.731 -0.848 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.163 0.636 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.450 -0.340 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.226 -3.056 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.888 -2.578 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.222 -3.192 -1.887 1.00 0.00 H new ATOM 469 N GLN A 29 -1.045 1.127 0.151 1.00 0.00 N ATOM 470 CA GLN A 29 -2.478 1.327 0.489 1.00 0.00 C ATOM 471 C GLN A 29 -2.985 2.568 -0.235 1.00 0.00 C ATOM 472 O GLN A 29 -4.056 2.567 -0.810 1.00 0.00 O ATOM 473 CB GLN A 29 -2.627 1.534 1.997 1.00 0.00 C ATOM 474 CG GLN A 29 -3.521 0.439 2.578 1.00 0.00 C ATOM 475 CD GLN A 29 -4.840 1.053 3.049 1.00 0.00 C ATOM 476 OE1 GLN A 29 -4.915 2.240 3.303 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.893 0.292 3.176 1.00 0.00 N ATOM 0 H GLN A 29 -0.423 1.002 0.950 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.052 0.452 0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.648 1.511 2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.058 2.515 2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.712 -0.326 1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.018 -0.052 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.831 -0.704 2.963 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.777 0.693 3.488 1.00 0.00 H new ATOM 486 N ILE A 30 -2.227 3.629 -0.222 1.00 0.00 N ATOM 487 CA ILE A 30 -2.686 4.852 -0.925 1.00 0.00 C ATOM 488 C ILE A 30 -2.769 4.550 -2.412 1.00 0.00 C ATOM 489 O ILE A 30 -3.716 4.904 -3.076 1.00 0.00 O ATOM 490 CB ILE A 30 -1.709 6.006 -0.669 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.526 7.289 -0.516 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.713 6.155 -1.836 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.621 8.513 -0.682 1.00 0.00 C ATOM 0 H ILE A 30 -1.320 3.700 0.240 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.667 5.150 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.133 5.805 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.323 7.313 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.004 7.310 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.031 6.980 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.143 5.233 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.259 6.358 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.213 9.421 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.840 8.494 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.164 8.496 -1.672 1.00 0.00 H new ATOM 505 N VAL A 31 -1.783 3.886 -2.937 1.00 0.00 N ATOM 506 CA VAL A 31 -1.834 3.559 -4.390 1.00 0.00 C ATOM 507 C VAL A 31 -3.155 2.859 -4.658 1.00 0.00 C ATOM 508 O VAL A 31 -3.928 3.244 -5.513 1.00 0.00 O ATOM 509 CB VAL A 31 -0.695 2.614 -4.770 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.500 2.654 -6.284 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.586 3.056 -4.071 1.00 0.00 C ATOM 0 H VAL A 31 -0.956 3.559 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.738 4.474 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.937 1.597 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.311 1.982 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.419 2.339 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.253 3.670 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.399 2.382 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.837 4.071 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.438 3.031 -2.991 1.00 0.00 H new ATOM 521 N PHE A 32 -3.403 1.828 -3.917 1.00 0.00 N ATOM 522 CA PHE A 32 -4.665 1.056 -4.089 1.00 0.00 C ATOM 523 C PHE A 32 -5.880 1.977 -3.950 1.00 0.00 C ATOM 524 O PHE A 32 -6.832 1.875 -4.699 1.00 0.00 O ATOM 525 CB PHE A 32 -4.731 -0.023 -3.010 1.00 0.00 C ATOM 526 CG PHE A 32 -3.482 -0.881 -3.056 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.547 -0.720 -4.091 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.257 -1.841 -2.060 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.401 -1.516 -4.124 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.107 -2.637 -2.098 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.184 -2.476 -3.128 1.00 0.00 C ATOM 0 H PHE A 32 -2.781 1.478 -3.188 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.676 0.606 -5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.828 0.439 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.614 -0.644 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.714 0.019 -4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.973 -1.967 -1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.681 -1.391 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.935 -3.376 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.298 -3.093 -3.159 1.00 0.00 H new ATOM 541 N ASP A 33 -5.869 2.868 -2.994 1.00 0.00 N ATOM 542 CA ASP A 33 -7.043 3.772 -2.819 1.00 0.00 C ATOM 543 C ASP A 33 -7.131 4.742 -3.999 1.00 0.00 C ATOM 544 O ASP A 33 -8.185 4.954 -4.570 1.00 0.00 O ATOM 545 CB ASP A 33 -6.884 4.564 -1.520 1.00 0.00 C ATOM 546 CG ASP A 33 -8.053 4.252 -0.585 1.00 0.00 C ATOM 547 OD1 ASP A 33 -9.176 4.559 -0.949 1.00 0.00 O ATOM 548 OD2 ASP A 33 -7.805 3.710 0.480 1.00 0.00 O ATOM 0 H ASP A 33 -5.105 3.008 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.954 3.175 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.941 4.307 -1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.851 5.632 -1.735 1.00 0.00 H new ATOM 553 N PHE A 34 -6.032 5.336 -4.361 1.00 0.00 N ATOM 554 CA PHE A 34 -6.037 6.301 -5.489 1.00 0.00 C ATOM 555 C PHE A 34 -6.646 5.641 -6.731 1.00 0.00 C ATOM 556 O PHE A 34 -7.519 6.192 -7.372 1.00 0.00 O ATOM 557 CB PHE A 34 -4.584 6.742 -5.763 1.00 0.00 C ATOM 558 CG PHE A 34 -4.142 6.334 -7.149 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.654 6.993 -8.272 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.226 5.291 -7.305 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.246 6.607 -9.554 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.816 4.906 -8.583 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.327 5.564 -9.710 1.00 0.00 C ATOM 0 H PHE A 34 -5.124 5.193 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.639 7.175 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.503 7.824 -5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.920 6.298 -5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.363 7.798 -8.150 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.835 4.782 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.640 7.114 -10.422 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.105 4.102 -8.703 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.011 5.266 -10.699 1.00 0.00 H new ATOM 573 N VAL A 35 -6.183 4.473 -7.084 1.00 0.00 N ATOM 574 CA VAL A 35 -6.745 3.815 -8.303 1.00 0.00 C ATOM 575 C VAL A 35 -8.206 3.453 -8.058 1.00 0.00 C ATOM 576 O VAL A 35 -9.077 3.824 -8.820 1.00 0.00 O ATOM 577 CB VAL A 35 -5.968 2.533 -8.654 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.901 2.854 -9.701 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.296 1.951 -7.408 1.00 0.00 C ATOM 0 H VAL A 35 -5.455 3.953 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.659 4.515 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.669 1.798 -9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.351 1.947 -9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.379 3.246 -10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.212 3.598 -9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.752 1.046 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.601 2.682 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.055 1.710 -6.664 1.00 0.00 H new ATOM 589 N ALA A 36 -8.491 2.749 -6.997 1.00 0.00 N ATOM 590 CA ALA A 36 -9.904 2.373 -6.725 1.00 0.00 C ATOM 591 C ALA A 36 -10.778 3.625 -6.758 1.00 0.00 C ATOM 592 O ALA A 36 -11.964 3.557 -7.012 1.00 0.00 O ATOM 593 CB ALA A 36 -10.005 1.683 -5.365 1.00 0.00 C ATOM 0 H ALA A 36 -7.811 2.420 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.252 1.679 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.042 1.410 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.388 0.785 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.657 2.361 -4.586 1.00 0.00 H new ATOM 599 N SER A 37 -10.202 4.770 -6.525 1.00 0.00 N ATOM 600 CA SER A 37 -11.004 6.022 -6.566 1.00 0.00 C ATOM 601 C SER A 37 -11.209 6.437 -8.027 1.00 0.00 C ATOM 602 O SER A 37 -12.016 7.292 -8.334 1.00 0.00 O ATOM 603 CB SER A 37 -10.260 7.130 -5.820 1.00 0.00 C ATOM 604 OG SER A 37 -10.608 7.084 -4.442 1.00 0.00 O ATOM 0 H SER A 37 -9.213 4.893 -6.308 1.00 0.00 H new ATOM 0 HA SER A 37 -11.971 5.855 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.184 7.005 -5.939 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.517 8.103 -6.240 1.00 0.00 H new ATOM 0 HG SER A 37 -10.131 7.792 -3.960 1.00 0.00 H new ATOM 610 N LYS A 38 -10.474 5.840 -8.932 1.00 0.00 N ATOM 611 CA LYS A 38 -10.612 6.201 -10.374 1.00 0.00 C ATOM 612 C LYS A 38 -11.825 5.486 -10.986 1.00 0.00 C ATOM 613 O LYS A 38 -12.913 6.024 -11.037 1.00 0.00 O ATOM 614 CB LYS A 38 -9.342 5.783 -11.121 1.00 0.00 C ATOM 615 CG LYS A 38 -8.539 7.028 -11.522 1.00 0.00 C ATOM 616 CD LYS A 38 -8.281 7.894 -10.288 1.00 0.00 C ATOM 617 CE LYS A 38 -8.078 9.348 -10.718 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.972 10.214 -9.509 1.00 0.00 N ATOM 0 H LYS A 38 -9.783 5.117 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.757 7.278 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.734 5.135 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.604 5.207 -12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.593 6.732 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.086 7.600 -12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.122 7.822 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.400 7.535 -9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.175 9.437 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.912 9.674 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.834 11.203 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.845 10.137 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.163 9.907 -8.932 1.00 0.00 H new ATOM 632 N GLY A 39 -11.642 4.282 -11.466 1.00 0.00 N ATOM 633 CA GLY A 39 -12.781 3.540 -12.092 1.00 0.00 C ATOM 634 C GLY A 39 -13.087 2.269 -11.290 1.00 0.00 C ATOM 635 O GLY A 39 -14.070 1.593 -11.519 1.00 0.00 O ATOM 0 H GLY A 39 -10.754 3.780 -11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.664 4.178 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.533 3.279 -13.121 1.00 0.00 H new ATOM 745 N LYS A 46 -6.700 -5.724 -6.973 1.00 0.00 N ATOM 746 CA LYS A 46 -5.250 -5.929 -6.718 1.00 0.00 C ATOM 747 C LYS A 46 -4.506 -5.534 -7.990 1.00 0.00 C ATOM 748 O LYS A 46 -4.885 -5.912 -9.080 1.00 0.00 O ATOM 749 CB LYS A 46 -4.980 -7.399 -6.394 1.00 0.00 C ATOM 750 CG LYS A 46 -4.811 -7.567 -4.883 1.00 0.00 C ATOM 751 CD LYS A 46 -5.872 -8.535 -4.356 1.00 0.00 C ATOM 752 CE LYS A 46 -7.265 -7.982 -4.666 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.240 -9.106 -4.742 1.00 0.00 N ATOM 0 HA LYS A 46 -4.918 -5.327 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.804 -8.018 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.082 -7.737 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.814 -7.945 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.905 -6.601 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.747 -9.515 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.754 -8.671 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.568 -7.276 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.249 -7.436 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.187 -8.731 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.953 -9.764 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.262 -9.609 -3.832 1.00 0.00 H new ATOM 767 N LEU A 47 -3.469 -4.763 -7.870 1.00 0.00 N ATOM 768 CA LEU A 47 -2.732 -4.336 -9.083 1.00 0.00 C ATOM 769 C LEU A 47 -1.590 -5.311 -9.351 1.00 0.00 C ATOM 770 O LEU A 47 -1.047 -5.905 -8.448 1.00 0.00 O ATOM 771 CB LEU A 47 -2.176 -2.934 -8.853 1.00 0.00 C ATOM 772 CG LEU A 47 -3.336 -1.976 -8.584 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.915 -0.945 -7.539 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.717 -1.270 -9.884 1.00 0.00 C ATOM 0 H LEU A 47 -3.100 -4.411 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.400 -4.327 -9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.486 -2.936 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.611 -2.605 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.194 -2.534 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.743 -0.262 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.643 -1.454 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.058 -0.382 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.544 -0.585 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.860 -0.710 -10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.019 -2.010 -10.625 1.00 0.00 H new ATOM 786 N LEU A 48 -1.238 -5.494 -10.591 1.00 0.00 N ATOM 787 CA LEU A 48 -0.144 -6.439 -10.928 1.00 0.00 C ATOM 788 C LEU A 48 1.074 -5.642 -11.390 1.00 0.00 C ATOM 789 O LEU A 48 1.014 -4.916 -12.363 1.00 0.00 O ATOM 790 CB LEU A 48 -0.618 -7.373 -12.051 1.00 0.00 C ATOM 791 CG LEU A 48 0.573 -8.084 -12.709 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.226 -7.153 -13.732 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.601 -8.478 -11.646 1.00 0.00 C ATOM 0 H LEU A 48 -1.665 -5.025 -11.390 1.00 0.00 H new ATOM 0 HA LEU A 48 0.124 -7.034 -10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.310 -8.112 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.164 -6.800 -12.800 1.00 0.00 H new ATOM 0 HG LEU A 48 0.216 -8.983 -13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.071 -7.660 -14.198 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.497 -6.885 -14.497 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.575 -6.250 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.442 -8.982 -12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.956 -7.584 -11.134 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.138 -9.150 -10.923 1.00 0.00 H new ATOM 805 N SER A 49 2.178 -5.762 -10.705 1.00 0.00 N ATOM 806 CA SER A 49 3.381 -4.998 -11.126 1.00 0.00 C ATOM 807 C SER A 49 3.979 -5.673 -12.356 1.00 0.00 C ATOM 808 O SER A 49 4.322 -6.843 -12.333 1.00 0.00 O ATOM 809 CB SER A 49 4.409 -4.979 -10.000 1.00 0.00 C ATOM 810 OG SER A 49 4.094 -5.993 -9.055 1.00 0.00 O ATOM 0 H SER A 49 2.297 -6.350 -9.880 1.00 0.00 H new ATOM 0 HA SER A 49 3.102 -3.971 -11.360 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.409 -5.140 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.415 -4.003 -9.514 1.00 0.00 H new ATOM 0 HG SER A 49 3.979 -6.848 -9.519 1.00 0.00 H new ATOM 816 N THR A 50 4.088 -4.945 -13.435 1.00 0.00 N ATOM 817 CA THR A 50 4.637 -5.528 -14.690 1.00 0.00 C ATOM 818 C THR A 50 6.158 -5.675 -14.595 1.00 0.00 C ATOM 819 O THR A 50 6.705 -6.708 -14.928 1.00 0.00 O ATOM 820 CB THR A 50 4.283 -4.612 -15.864 1.00 0.00 C ATOM 821 OG1 THR A 50 5.041 -3.414 -15.775 1.00 0.00 O ATOM 822 CG2 THR A 50 2.789 -4.277 -15.818 1.00 0.00 C ATOM 0 H THR A 50 3.818 -3.964 -13.499 1.00 0.00 H new ATOM 0 HA THR A 50 4.202 -6.516 -14.842 1.00 0.00 H new ATOM 0 HB THR A 50 4.513 -5.118 -16.802 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.615 -2.804 -15.138 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.536 -3.625 -16.654 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.208 -5.196 -15.887 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.558 -3.771 -14.880 1.00 0.00 H new ATOM 830 N PHE A 51 6.853 -4.660 -14.156 1.00 0.00 N ATOM 831 CA PHE A 51 8.336 -4.779 -14.067 1.00 0.00 C ATOM 832 C PHE A 51 8.698 -6.121 -13.411 1.00 0.00 C ATOM 833 O PHE A 51 9.217 -6.995 -14.077 1.00 0.00 O ATOM 834 CB PHE A 51 8.914 -3.608 -13.271 1.00 0.00 C ATOM 835 CG PHE A 51 9.539 -2.615 -14.222 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.802 -2.127 -15.307 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.855 -2.183 -14.018 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.381 -1.207 -16.189 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.434 -1.262 -14.899 1.00 0.00 C ATOM 840 CZ PHE A 51 10.696 -0.774 -15.984 1.00 0.00 C ATOM 0 H PHE A 51 6.464 -3.765 -13.859 1.00 0.00 H new ATOM 0 HA PHE A 51 8.766 -4.748 -15.068 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.128 -3.126 -12.689 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.660 -3.968 -12.562 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.787 -2.460 -15.464 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.424 -2.560 -13.181 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.813 -0.831 -17.027 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.449 -0.928 -14.742 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.142 -0.063 -16.663 1.00 0.00 H new ATOM 850 N PRO A 52 8.397 -6.274 -12.138 1.00 0.00 N ATOM 851 CA PRO A 52 8.675 -7.534 -11.426 1.00 0.00 C ATOM 852 C PRO A 52 7.594 -8.566 -11.767 1.00 0.00 C ATOM 853 O PRO A 52 7.584 -9.661 -11.243 1.00 0.00 O ATOM 854 CB PRO A 52 8.593 -7.144 -9.950 1.00 0.00 C ATOM 855 CG PRO A 52 7.720 -5.870 -9.887 1.00 0.00 C ATOM 856 CD PRO A 52 7.769 -5.234 -11.292 1.00 0.00 C ATOM 0 HA PRO A 52 9.636 -7.977 -11.689 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.152 -7.947 -9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.586 -6.956 -9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.695 -6.116 -9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.098 -5.178 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.771 -4.979 -11.649 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.353 -4.314 -11.293 1.00 0.00 H new ATOM 864 N ARG A 53 6.680 -8.212 -12.638 1.00 0.00 N ATOM 865 CA ARG A 53 5.585 -9.152 -13.019 1.00 0.00 C ATOM 866 C ARG A 53 5.102 -9.905 -11.779 1.00 0.00 C ATOM 867 O ARG A 53 5.045 -11.118 -11.762 1.00 0.00 O ATOM 868 CB ARG A 53 6.091 -10.151 -14.067 1.00 0.00 C ATOM 869 CG ARG A 53 7.507 -10.613 -13.710 1.00 0.00 C ATOM 870 CD ARG A 53 8.007 -11.593 -14.772 1.00 0.00 C ATOM 871 NE ARG A 53 9.485 -11.735 -14.657 1.00 0.00 N ATOM 872 CZ ARG A 53 10.067 -12.834 -15.052 1.00 0.00 C ATOM 873 NH1 ARG A 53 9.867 -13.281 -16.262 1.00 0.00 N ATOM 874 NH2 ARG A 53 10.851 -13.486 -14.238 1.00 0.00 N ATOM 0 H ARG A 53 6.648 -7.305 -13.103 1.00 0.00 H new ATOM 0 HA ARG A 53 4.757 -8.583 -13.443 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.421 -11.009 -14.116 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.089 -9.688 -15.054 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.176 -9.755 -13.648 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.509 -11.090 -12.730 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.526 -12.563 -14.643 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.741 -11.235 -15.767 1.00 0.00 H new ATOM 0 HE ARG A 53 10.042 -10.973 -14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.255 -12.771 -16.899 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.322 -14.140 -16.570 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.009 -13.137 -13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.306 -14.345 -14.547 1.00 0.00 H new ATOM 888 N ARG A 54 4.755 -9.194 -10.740 1.00 0.00 N ATOM 889 CA ARG A 54 4.280 -9.881 -9.503 1.00 0.00 C ATOM 890 C ARG A 54 3.047 -9.163 -8.937 1.00 0.00 C ATOM 891 O ARG A 54 2.700 -8.078 -9.360 1.00 0.00 O ATOM 892 CB ARG A 54 5.410 -9.904 -8.461 1.00 0.00 C ATOM 893 CG ARG A 54 5.436 -8.591 -7.675 1.00 0.00 C ATOM 894 CD ARG A 54 4.695 -8.780 -6.350 1.00 0.00 C ATOM 895 NE ARG A 54 5.667 -9.152 -5.284 1.00 0.00 N ATOM 896 CZ ARG A 54 5.440 -10.193 -4.530 1.00 0.00 C ATOM 897 NH1 ARG A 54 4.240 -10.410 -4.062 1.00 0.00 N ATOM 898 NH2 ARG A 54 6.410 -11.018 -4.244 1.00 0.00 N ATOM 0 H ARG A 54 4.779 -8.175 -10.693 1.00 0.00 H new ATOM 0 HA ARG A 54 3.999 -10.906 -9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.267 -10.741 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.368 -10.057 -8.957 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.466 -8.286 -7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.968 -7.796 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.175 -7.861 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.937 -9.557 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 54 6.509 -8.594 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.481 -9.766 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.062 -11.223 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.347 -10.850 -4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.231 -11.831 -3.655 1.00 0.00 H new ATOM 912 N ASP A 55 2.390 -9.762 -7.980 1.00 0.00 N ATOM 913 CA ASP A 55 1.184 -9.123 -7.379 1.00 0.00 C ATOM 914 C ASP A 55 1.557 -7.752 -6.806 1.00 0.00 C ATOM 915 O ASP A 55 2.140 -7.655 -5.750 1.00 0.00 O ATOM 916 CB ASP A 55 0.644 -10.011 -6.258 1.00 0.00 C ATOM 917 CG ASP A 55 -0.876 -10.133 -6.387 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.444 -9.399 -7.178 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.445 -10.958 -5.690 1.00 0.00 O ATOM 0 H ASP A 55 2.638 -10.670 -7.587 1.00 0.00 H new ATOM 0 HA ASP A 55 0.421 -8.998 -8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.104 -10.998 -6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.904 -9.588 -5.288 1.00 0.00 H new ATOM 924 N VAL A 56 1.216 -6.705 -7.510 1.00 0.00 N ATOM 925 CA VAL A 56 1.523 -5.311 -7.061 1.00 0.00 C ATOM 926 C VAL A 56 2.854 -5.248 -6.316 1.00 0.00 C ATOM 927 O VAL A 56 2.981 -5.664 -5.192 1.00 0.00 O ATOM 928 CB VAL A 56 0.381 -4.761 -6.197 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.524 -5.228 -4.752 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.404 -3.228 -6.244 1.00 0.00 C ATOM 0 H VAL A 56 0.724 -6.758 -8.402 1.00 0.00 H new ATOM 0 HA VAL A 56 1.615 -4.683 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.566 -5.132 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.296 -4.826 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.498 -6.317 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.473 -4.875 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.406 -2.833 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.358 -2.867 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.276 -2.894 -7.274 1.00 0.00 H new ATOM 940 N THR A 57 3.829 -4.695 -6.976 1.00 0.00 N ATOM 941 CA THR A 57 5.205 -4.531 -6.414 1.00 0.00 C ATOM 942 C THR A 57 5.330 -4.987 -4.950 1.00 0.00 C ATOM 943 O THR A 57 5.249 -4.200 -4.032 1.00 0.00 O ATOM 944 CB THR A 57 5.614 -3.058 -6.517 1.00 0.00 C ATOM 945 OG1 THR A 57 6.499 -2.749 -5.456 1.00 0.00 O ATOM 946 CG2 THR A 57 4.372 -2.155 -6.440 1.00 0.00 C ATOM 0 H THR A 57 3.727 -4.333 -7.924 1.00 0.00 H new ATOM 0 HA THR A 57 5.864 -5.171 -7.000 1.00 0.00 H new ATOM 0 HB THR A 57 6.110 -2.886 -7.472 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.353 -2.437 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.676 -1.111 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.696 -2.395 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.862 -2.318 -5.490 1.00 0.00 H new ATOM 954 N GLN A 58 5.580 -6.252 -4.746 1.00 0.00 N ATOM 955 CA GLN A 58 5.792 -6.791 -3.357 1.00 0.00 C ATOM 956 C GLN A 58 4.481 -6.994 -2.583 1.00 0.00 C ATOM 957 O GLN A 58 4.466 -7.661 -1.568 1.00 0.00 O ATOM 958 CB GLN A 58 6.690 -5.830 -2.575 1.00 0.00 C ATOM 959 CG GLN A 58 7.949 -6.570 -2.119 1.00 0.00 C ATOM 960 CD GLN A 58 7.551 -7.883 -1.444 1.00 0.00 C ATOM 961 OE1 GLN A 58 7.103 -7.889 -0.314 1.00 0.00 O ATOM 962 NE2 GLN A 58 7.695 -9.007 -2.093 1.00 0.00 N ATOM 0 H GLN A 58 5.649 -6.949 -5.487 1.00 0.00 H new ATOM 0 HA GLN A 58 6.259 -7.770 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.961 -4.979 -3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.154 -5.435 -1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.596 -6.769 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.518 -5.950 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.071 -9.004 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.432 -9.888 -1.652 1.00 0.00 H new ATOM 971 N LEU A 59 3.395 -6.438 -3.026 1.00 0.00 N ATOM 972 CA LEU A 59 2.114 -6.627 -2.284 1.00 0.00 C ATOM 973 C LEU A 59 2.181 -5.901 -0.941 1.00 0.00 C ATOM 974 O LEU A 59 3.064 -5.103 -0.698 1.00 0.00 O ATOM 975 CB LEU A 59 1.870 -8.119 -2.050 1.00 0.00 C ATOM 976 CG LEU A 59 0.799 -8.611 -3.020 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.798 -10.140 -3.048 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.573 -8.110 -2.561 1.00 0.00 C ATOM 0 H LEU A 59 3.333 -5.862 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 59 1.295 -6.215 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.794 -8.678 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.553 -8.291 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 59 1.012 -8.229 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.033 -10.491 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.774 -10.499 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.586 -10.522 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.339 -8.461 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.784 -8.492 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.574 -7.020 -2.541 1.00 0.00 H new ATOM 990 N ASP A 60 1.244 -6.165 -0.070 1.00 0.00 N ATOM 991 CA ASP A 60 1.242 -5.485 1.255 1.00 0.00 C ATOM 992 C ASP A 60 0.739 -4.048 1.080 1.00 0.00 C ATOM 993 O ASP A 60 1.516 -3.143 0.840 1.00 0.00 O ATOM 994 CB ASP A 60 2.661 -5.468 1.827 1.00 0.00 C ATOM 995 CG ASP A 60 3.328 -6.821 1.572 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.877 -7.800 2.144 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.279 -6.856 0.809 1.00 0.00 O ATOM 0 H ASP A 60 0.479 -6.823 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 60 0.587 -6.022 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.242 -4.671 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.631 -5.261 2.897 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.553 -3.883 1.212 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.201 -2.568 1.069 1.00 0.00 C ATOM 1004 C PRO A 61 -0.843 -1.675 2.251 1.00 0.00 C ATOM 1005 O PRO A 61 -1.086 -0.486 2.245 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.698 -2.899 1.043 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.845 -4.288 1.703 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.481 -4.985 1.546 1.00 0.00 C ATOM 0 HA PRO A 61 -0.887 -2.024 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.272 -2.148 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.076 -2.912 0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.115 -4.193 2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.635 -4.866 1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.184 -5.493 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.506 -5.738 0.759 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.243 -2.241 3.251 1.00 0.00 N ATOM 1017 CA ASN A 62 0.156 -1.437 4.437 1.00 0.00 C ATOM 1018 C ASN A 62 1.656 -1.165 4.370 1.00 0.00 C ATOM 1019 O ASN A 62 2.239 -0.599 5.274 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.166 -2.212 5.716 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.669 -2.491 5.778 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -2.152 -3.418 5.158 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -2.434 -1.723 6.504 1.00 0.00 N ATOM 0 H ASN A 62 -0.009 -3.232 3.302 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.391 -0.494 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.390 -3.149 5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.145 -1.639 6.589 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.437 -1.901 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.029 -0.945 7.024 1.00 0.00 H new ATOM 1030 N LYS A 63 2.289 -1.565 3.301 1.00 0.00 N ATOM 1031 CA LYS A 63 3.749 -1.336 3.169 1.00 0.00 C ATOM 1032 C LYS A 63 3.999 0.032 2.538 1.00 0.00 C ATOM 1033 O LYS A 63 3.144 0.591 1.875 1.00 0.00 O ATOM 1034 CB LYS A 63 4.359 -2.422 2.280 1.00 0.00 C ATOM 1035 CG LYS A 63 5.066 -3.459 3.153 1.00 0.00 C ATOM 1036 CD LYS A 63 6.395 -3.850 2.507 1.00 0.00 C ATOM 1037 CE LYS A 63 6.587 -5.364 2.607 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.971 -5.718 2.177 1.00 0.00 N ATOM 0 H LYS A 63 1.853 -2.042 2.512 1.00 0.00 H new ATOM 0 HA LYS A 63 4.209 -1.371 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.580 -2.901 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.066 -1.978 1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.240 -3.053 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.435 -4.340 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.409 -3.540 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.218 -3.335 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.416 -5.696 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.857 -5.876 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.103 -6.747 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.117 -5.414 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.659 -5.240 2.793 1.00 0.00 H new ATOM 1052 N SER A 64 5.172 0.566 2.723 1.00 0.00 N ATOM 1053 CA SER A 64 5.494 1.886 2.122 1.00 0.00 C ATOM 1054 C SER A 64 6.072 1.618 0.739 1.00 0.00 C ATOM 1055 O SER A 64 6.289 0.482 0.375 1.00 0.00 O ATOM 1056 CB SER A 64 6.523 2.614 2.986 1.00 0.00 C ATOM 1057 OG SER A 64 7.824 2.138 2.668 1.00 0.00 O ATOM 0 H SER A 64 5.924 0.143 3.267 1.00 0.00 H new ATOM 0 HA SER A 64 4.604 2.512 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.464 3.689 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.311 2.448 4.042 1.00 0.00 H new ATOM 0 HG SER A 64 8.487 2.604 3.219 1.00 0.00 H new ATOM 1063 N LEU A 65 6.293 2.624 -0.054 1.00 0.00 N ATOM 1064 CA LEU A 65 6.813 2.357 -1.419 1.00 0.00 C ATOM 1065 C LEU A 65 8.278 1.941 -1.362 1.00 0.00 C ATOM 1066 O LEU A 65 8.665 0.982 -1.984 1.00 0.00 O ATOM 1067 CB LEU A 65 6.654 3.600 -2.284 1.00 0.00 C ATOM 1068 CG LEU A 65 5.200 3.698 -2.740 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.023 4.926 -3.612 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.823 2.463 -3.557 1.00 0.00 C ATOM 0 H LEU A 65 6.139 3.605 0.178 1.00 0.00 H new ATOM 0 HA LEU A 65 6.241 1.540 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.934 4.490 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.318 3.547 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 65 4.561 3.766 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.985 4.995 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.285 5.818 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.672 4.849 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.784 2.542 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.469 2.395 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.947 1.570 -2.944 1.00 0.00 H new ATOM 1082 N LEU A 66 9.101 2.631 -0.628 1.00 0.00 N ATOM 1083 CA LEU A 66 10.532 2.216 -0.575 1.00 0.00 C ATOM 1084 C LEU A 66 10.610 0.713 -0.294 1.00 0.00 C ATOM 1085 O LEU A 66 11.360 -0.004 -0.925 1.00 0.00 O ATOM 1086 CB LEU A 66 11.259 2.977 0.548 1.00 0.00 C ATOM 1087 CG LEU A 66 11.956 4.267 0.048 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.789 4.469 -1.465 1.00 0.00 C ATOM 1089 CD2 LEU A 66 11.354 5.468 0.781 1.00 0.00 C ATOM 0 H LEU A 66 8.855 3.449 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 66 11.007 2.443 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.543 3.236 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.002 2.321 1.003 1.00 0.00 H new ATOM 0 HG LEU A 66 13.022 4.173 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.295 5.386 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.225 3.622 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.729 4.542 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.837 6.383 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.285 5.522 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.511 5.356 1.854 1.00 0.00 H new ATOM 1101 N GLU A 67 9.838 0.226 0.636 1.00 0.00 N ATOM 1102 CA GLU A 67 9.888 -1.239 0.938 1.00 0.00 C ATOM 1103 C GLU A 67 9.506 -2.016 -0.317 1.00 0.00 C ATOM 1104 O GLU A 67 10.055 -3.061 -0.602 1.00 0.00 O ATOM 1105 CB GLU A 67 8.911 -1.617 2.065 1.00 0.00 C ATOM 1106 CG GLU A 67 8.396 -0.370 2.780 1.00 0.00 C ATOM 1107 CD GLU A 67 7.813 -0.765 4.139 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.381 -1.639 4.774 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.808 -0.188 4.521 1.00 0.00 O ATOM 0 H GLU A 67 9.180 0.768 1.197 1.00 0.00 H new ATOM 0 HA GLU A 67 10.900 -1.485 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.072 -2.177 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.410 -2.271 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.207 0.346 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.634 0.121 2.174 1.00 0.00 H new ATOM 1116 N VAL A 68 8.572 -1.515 -1.075 1.00 0.00 N ATOM 1117 CA VAL A 68 8.170 -2.236 -2.317 1.00 0.00 C ATOM 1118 C VAL A 68 8.888 -1.626 -3.530 1.00 0.00 C ATOM 1119 O VAL A 68 8.699 -2.050 -4.651 1.00 0.00 O ATOM 1120 CB VAL A 68 6.652 -2.166 -2.497 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.971 -2.949 -1.374 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.176 -0.717 -2.457 1.00 0.00 C ATOM 0 H VAL A 68 8.072 -0.645 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 68 8.458 -3.284 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 68 6.394 -2.597 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.889 -2.900 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.294 -3.990 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.244 -2.516 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.094 -0.686 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.439 -0.274 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.654 -0.155 -3.259 1.00 0.00 H new ATOM 1132 N LYS A 69 9.729 -0.650 -3.293 1.00 0.00 N ATOM 1133 CA LYS A 69 10.511 0.002 -4.389 1.00 0.00 C ATOM 1134 C LYS A 69 9.790 -0.049 -5.747 1.00 0.00 C ATOM 1135 O LYS A 69 10.109 -0.858 -6.594 1.00 0.00 O ATOM 1136 CB LYS A 69 11.869 -0.702 -4.507 1.00 0.00 C ATOM 1137 CG LYS A 69 11.678 -2.194 -4.827 1.00 0.00 C ATOM 1138 CD LYS A 69 11.422 -2.984 -3.543 1.00 0.00 C ATOM 1139 CE LYS A 69 10.423 -4.109 -3.834 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.166 -5.354 -4.180 1.00 0.00 N ATOM 0 H LYS A 69 9.910 -0.269 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 69 10.632 1.054 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.463 -0.230 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.424 -0.592 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.841 -2.321 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.564 -2.581 -5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.356 -3.400 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.030 -2.325 -2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.789 -4.281 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.767 -3.824 -4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.489 -6.119 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.753 -5.185 -5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.775 -5.628 -3.382 1.00 0.00 H new ATOM 1207 N GLN A 73 10.054 4.433 -12.709 1.00 0.00 N ATOM 1208 CA GLN A 73 8.962 4.373 -13.721 1.00 0.00 C ATOM 1209 C GLN A 73 8.472 2.928 -13.844 1.00 0.00 C ATOM 1210 O GLN A 73 9.177 2.068 -14.334 1.00 0.00 O ATOM 1211 CB GLN A 73 9.490 4.854 -15.074 1.00 0.00 C ATOM 1212 CG GLN A 73 10.121 6.238 -14.912 1.00 0.00 C ATOM 1213 CD GLN A 73 10.349 6.860 -16.292 1.00 0.00 C ATOM 1214 OE1 GLN A 73 11.220 6.435 -17.025 1.00 0.00 O ATOM 1215 NE2 GLN A 73 9.599 7.854 -16.678 1.00 0.00 N ATOM 0 HA GLN A 73 8.137 5.014 -13.410 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.227 4.150 -15.460 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.678 4.896 -15.800 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.471 6.878 -14.316 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.067 6.158 -14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.868 8.210 -16.062 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.743 8.275 -17.596 1.00 0.00 H new ATOM 1224 N GLU A 74 7.275 2.647 -13.402 1.00 0.00 N ATOM 1225 CA GLU A 74 6.765 1.247 -13.499 1.00 0.00 C ATOM 1226 C GLU A 74 5.294 1.251 -13.924 1.00 0.00 C ATOM 1227 O GLU A 74 4.542 2.143 -13.587 1.00 0.00 O ATOM 1228 CB GLU A 74 6.901 0.559 -12.140 1.00 0.00 C ATOM 1229 CG GLU A 74 8.381 0.376 -11.809 1.00 0.00 C ATOM 1230 CD GLU A 74 8.559 -0.880 -10.954 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.977 -0.931 -9.883 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.275 -1.769 -11.384 1.00 0.00 O ATOM 0 H GLU A 74 6.633 3.319 -12.982 1.00 0.00 H new ATOM 0 HA GLU A 74 7.349 0.707 -14.244 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.416 1.156 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.399 -0.408 -12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.962 0.290 -12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.756 1.249 -11.275 1.00 0.00 H new ATOM 1239 N THR A 75 4.876 0.252 -14.655 1.00 0.00 N ATOM 1240 CA THR A 75 3.453 0.192 -15.092 1.00 0.00 C ATOM 1241 C THR A 75 2.752 -0.959 -14.364 1.00 0.00 C ATOM 1242 O THR A 75 3.252 -2.064 -14.307 1.00 0.00 O ATOM 1243 CB THR A 75 3.386 -0.040 -16.604 1.00 0.00 C ATOM 1244 OG1 THR A 75 3.958 1.072 -17.278 1.00 0.00 O ATOM 1245 CG2 THR A 75 1.928 -0.207 -17.036 1.00 0.00 C ATOM 0 H THR A 75 5.459 -0.524 -14.968 1.00 0.00 H new ATOM 0 HA THR A 75 2.958 1.133 -14.853 1.00 0.00 H new ATOM 0 HB THR A 75 3.941 -0.944 -16.857 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.917 0.924 -18.246 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.884 -0.372 -18.113 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.491 -1.062 -16.520 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.368 0.694 -16.784 1.00 0.00 H new ATOM 1253 N LEU A 76 1.603 -0.705 -13.800 1.00 0.00 N ATOM 1254 CA LEU A 76 0.874 -1.781 -13.068 1.00 0.00 C ATOM 1255 C LEU A 76 -0.404 -2.149 -13.825 1.00 0.00 C ATOM 1256 O LEU A 76 -0.852 -1.426 -14.686 1.00 0.00 O ATOM 1257 CB LEU A 76 0.505 -1.284 -11.671 1.00 0.00 C ATOM 1258 CG LEU A 76 1.382 -1.977 -10.630 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.754 -0.983 -9.532 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.606 -3.141 -10.015 1.00 0.00 C ATOM 0 H LEU A 76 1.137 0.202 -13.814 1.00 0.00 H new ATOM 0 HA LEU A 76 1.515 -2.659 -12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.638 -0.204 -11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.547 -1.487 -11.468 1.00 0.00 H new ATOM 0 HG LEU A 76 2.289 -2.348 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.380 -1.478 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.301 -0.147 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.847 -0.613 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.227 -3.640 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.299 -2.764 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.335 -3.851 -10.796 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.998 -3.269 -13.512 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.253 -3.673 -14.213 1.00 0.00 C ATOM 1274 C PHE A 77 -3.362 -3.898 -13.175 1.00 0.00 C ATOM 1275 O PHE A 77 -3.107 -4.319 -12.068 1.00 0.00 O ATOM 1276 CB PHE A 77 -2.011 -4.968 -14.996 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.046 -4.721 -16.137 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.905 -3.438 -16.687 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.293 -5.784 -16.649 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -0.014 -3.224 -17.746 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.597 -5.570 -17.707 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.737 -4.290 -18.255 1.00 0.00 C ATOM 0 H PHE A 77 -0.669 -3.922 -12.801 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.554 -2.887 -14.905 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.610 -5.733 -14.331 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.956 -5.347 -15.386 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.484 -2.615 -16.294 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.399 -6.772 -16.226 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.094 -2.237 -18.170 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.176 -6.392 -18.101 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.425 -4.125 -19.071 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.593 -3.619 -13.516 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.694 -3.823 -12.528 1.00 0.00 C ATOM 1294 C LEU A 78 -6.160 -5.281 -12.583 1.00 0.00 C ATOM 1295 O LEU A 78 -6.465 -5.807 -13.635 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.869 -2.900 -12.870 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.405 -2.237 -11.594 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.326 -0.721 -11.732 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.870 -2.622 -11.381 1.00 0.00 C ATOM 0 H LEU A 78 -4.882 -3.262 -14.427 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.331 -3.591 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.548 -2.137 -13.579 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.662 -3.471 -13.353 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.804 -2.573 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.707 -0.253 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.289 -0.423 -11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.925 -0.402 -12.584 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.243 -2.147 -10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.461 -2.289 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.951 -3.705 -11.284 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.226 -5.935 -11.454 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.681 -7.355 -11.432 1.00 0.00 C ATOM 1313 C GLU A 79 -7.623 -7.548 -10.245 1.00 0.00 C ATOM 1314 O GLU A 79 -7.275 -7.268 -9.116 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.470 -8.279 -11.284 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.873 -9.711 -11.644 1.00 0.00 C ATOM 1317 CD GLU A 79 -5.342 -10.675 -10.582 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -4.162 -10.984 -10.627 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -6.123 -11.087 -9.741 1.00 0.00 O ATOM 0 H GLU A 79 -5.983 -5.545 -10.543 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.199 -7.595 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.662 -7.943 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.094 -8.242 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.958 -9.789 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.474 -9.977 -12.623 1.00 0.00 H new