USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 396 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 5 LYS NZ :NH3+ 132:sc= -0.0815 (180deg=-0.417) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0518 K(o=-0.052,f=-1.2!) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0191 (180deg=-0.168) USER MOD Single : A 17 ASN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0.919 K(o=0.92,f=-3.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 70:sc= -0.382 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-4.2!) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.16) USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= -0.537 (180deg=-0.816) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.00788 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 37 N GLU A 4 8.595 -5.223 -35.744 1.00 0.00 N ATOM 38 CA GLU A 4 7.334 -5.634 -35.122 1.00 0.00 C ATOM 39 C GLU A 4 7.579 -6.349 -33.787 1.00 0.00 C ATOM 40 O GLU A 4 6.760 -6.277 -32.875 1.00 0.00 O ATOM 41 CB GLU A 4 6.541 -6.549 -36.069 1.00 0.00 C ATOM 42 CG GLU A 4 7.259 -7.848 -36.414 1.00 0.00 C ATOM 43 CD GLU A 4 6.499 -8.696 -37.410 1.00 0.00 C ATOM 44 OE1 GLU A 4 6.758 -8.564 -38.621 1.00 0.00 O ATOM 45 OE2 GLU A 4 5.657 -9.514 -36.989 1.00 0.00 O1- ATOM 0 HA GLU A 4 6.752 -4.734 -34.925 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.581 -6.786 -35.610 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.329 -6.006 -36.990 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.244 -7.616 -36.819 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.417 -8.423 -35.502 1.00 0.00 H new ATOM 52 N LYS A 5 8.717 -7.018 -33.679 1.00 0.00 N ATOM 53 CA LYS A 5 9.052 -7.748 -32.471 1.00 0.00 C ATOM 54 C LYS A 5 9.632 -6.813 -31.421 1.00 0.00 C ATOM 55 O LYS A 5 9.256 -6.873 -30.253 1.00 0.00 O ATOM 56 CB LYS A 5 10.048 -8.867 -32.774 1.00 0.00 C ATOM 57 CG LYS A 5 9.574 -9.854 -33.826 1.00 0.00 C ATOM 58 CD LYS A 5 10.575 -10.982 -34.001 1.00 0.00 C ATOM 59 CE LYS A 5 10.192 -11.902 -35.145 1.00 0.00 C ATOM 60 NZ LYS A 5 10.144 -11.182 -36.443 1.00 0.00 N1+ ATOM 0 H LYS A 5 9.422 -7.069 -34.414 1.00 0.00 H new ATOM 0 HA LYS A 5 8.135 -8.189 -32.081 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.987 -8.423 -33.105 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.260 -9.409 -31.852 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.606 -10.263 -33.537 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.431 -9.339 -34.776 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.565 -10.564 -34.186 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.639 -11.557 -33.078 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.910 -12.719 -35.210 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.219 -12.349 -34.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.666 -11.725 -37.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.154 -11.073 -36.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.578 -10.243 -36.335 1.00 0.00 H new ATOM 74 N LEU A 6 10.532 -5.942 -31.846 1.00 0.00 N ATOM 75 CA LEU A 6 11.192 -5.007 -30.930 1.00 0.00 C ATOM 76 C LEU A 6 10.198 -4.032 -30.325 1.00 0.00 C ATOM 77 O LEU A 6 10.216 -3.779 -29.117 1.00 0.00 O ATOM 78 CB LEU A 6 12.329 -4.228 -31.629 1.00 0.00 C ATOM 79 CG LEU A 6 13.597 -5.026 -31.982 1.00 0.00 C ATOM 80 CD1 LEU A 6 14.155 -5.725 -30.756 1.00 0.00 C ATOM 81 CD2 LEU A 6 13.332 -6.024 -33.098 1.00 0.00 C ATOM 0 H LEU A 6 10.827 -5.857 -32.819 1.00 0.00 H new ATOM 0 HA LEU A 6 11.627 -5.606 -30.130 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.931 -3.797 -32.548 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.618 -3.397 -30.986 1.00 0.00 H new ATOM 0 HG LEU A 6 14.343 -4.317 -32.341 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.051 -6.282 -31.031 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.407 -4.984 -29.998 1.00 0.00 H new ATOM 0 HD13 LEU A 6 13.408 -6.412 -30.357 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.248 -6.571 -33.322 1.00 0.00 H new ATOM 0 HD22 LEU A 6 12.559 -6.725 -32.783 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.999 -5.493 -33.990 1.00 0.00 H new ATOM 93 N THR A 7 9.315 -3.505 -31.154 1.00 0.00 N ATOM 94 CA THR A 7 8.340 -2.546 -30.689 1.00 0.00 C ATOM 95 C THR A 7 7.323 -3.196 -29.747 1.00 0.00 C ATOM 96 O THR A 7 6.683 -2.510 -28.958 1.00 0.00 O ATOM 97 CB THR A 7 7.607 -1.844 -31.864 1.00 0.00 C ATOM 98 OG1 THR A 7 6.827 -0.747 -31.364 1.00 0.00 O ATOM 99 CG2 THR A 7 6.693 -2.812 -32.601 1.00 0.00 C ATOM 0 H THR A 7 9.256 -3.726 -32.148 1.00 0.00 H new ATOM 0 HA THR A 7 8.891 -1.786 -30.135 1.00 0.00 H new ATOM 0 HB THR A 7 8.362 -1.480 -32.561 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.367 -0.306 -32.109 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.194 -2.291 -33.418 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.283 -3.635 -33.003 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.946 -3.204 -31.911 1.00 0.00 H new ATOM 107 N ALA A 8 7.200 -4.523 -29.814 1.00 0.00 N ATOM 108 CA ALA A 8 6.251 -5.237 -28.958 1.00 0.00 C ATOM 109 C ALA A 8 6.662 -5.146 -27.491 1.00 0.00 C ATOM 110 O ALA A 8 5.812 -5.136 -26.599 1.00 0.00 O ATOM 111 CB ALA A 8 6.085 -6.699 -29.393 1.00 0.00 C ATOM 0 H ALA A 8 7.738 -5.119 -30.443 1.00 0.00 H new ATOM 0 HA ALA A 8 5.282 -4.751 -29.069 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.373 -7.196 -28.734 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.716 -6.734 -30.418 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.048 -7.207 -29.336 1.00 0.00 H new ATOM 117 N ASP A 9 7.967 -5.049 -27.239 1.00 0.00 N ATOM 118 CA ASP A 9 8.463 -4.940 -25.870 1.00 0.00 C ATOM 119 C ASP A 9 8.417 -3.497 -25.412 1.00 0.00 C ATOM 120 O ASP A 9 8.311 -3.215 -24.221 1.00 0.00 O ATOM 121 CB ASP A 9 9.893 -5.486 -25.728 1.00 0.00 C ATOM 122 CG ASP A 9 9.995 -6.966 -26.021 1.00 0.00 C ATOM 123 OD1 ASP A 9 10.589 -7.330 -27.060 1.00 0.00 O ATOM 124 OD2 ASP A 9 9.487 -7.773 -25.222 1.00 0.00 O1- ATOM 0 H ASP A 9 8.692 -5.044 -27.957 1.00 0.00 H new ATOM 0 HA ASP A 9 7.813 -5.547 -25.240 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.552 -4.942 -26.404 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.249 -5.297 -24.715 1.00 0.00 H new ATOM 129 N ALA A 10 8.487 -2.579 -26.366 1.00 0.00 N ATOM 130 CA ALA A 10 8.435 -1.161 -26.047 1.00 0.00 C ATOM 131 C ALA A 10 6.998 -0.733 -25.770 1.00 0.00 C ATOM 132 O ALA A 10 6.753 0.150 -24.949 1.00 0.00 O ATOM 133 CB ALA A 10 9.070 -0.308 -27.155 1.00 0.00 C ATOM 0 H ALA A 10 8.579 -2.789 -27.360 1.00 0.00 H new ATOM 0 HA ALA A 10 9.022 -0.996 -25.144 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.012 0.745 -26.881 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.114 -0.594 -27.281 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.534 -0.469 -28.091 1.00 0.00 H new ATOM 139 N GLU A 11 6.046 -1.383 -26.438 1.00 0.00 N ATOM 140 CA GLU A 11 4.635 -1.088 -26.229 1.00 0.00 C ATOM 141 C GLU A 11 4.168 -1.707 -24.928 1.00 0.00 C ATOM 142 O GLU A 11 3.368 -1.124 -24.201 1.00 0.00 O ATOM 143 CB GLU A 11 3.786 -1.594 -27.394 1.00 0.00 C ATOM 144 CG GLU A 11 4.087 -0.904 -28.714 1.00 0.00 C ATOM 145 CD GLU A 11 3.817 0.582 -28.664 1.00 0.00 C ATOM 146 OE1 GLU A 11 2.670 0.987 -28.933 1.00 0.00 O ATOM 147 OE2 GLU A 11 4.749 1.351 -28.355 1.00 0.00 O1- ATOM 0 H GLU A 11 6.228 -2.114 -27.125 1.00 0.00 H new ATOM 0 HA GLU A 11 4.515 -0.006 -26.175 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.946 -2.666 -27.510 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.732 -1.453 -27.152 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.131 -1.072 -28.978 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.483 -1.354 -29.502 1.00 0.00 H new ATOM 154 N LEU A 12 4.690 -2.890 -24.632 1.00 0.00 N ATOM 155 CA LEU A 12 4.370 -3.575 -23.381 1.00 0.00 C ATOM 156 C LEU A 12 4.891 -2.759 -22.204 1.00 0.00 C ATOM 157 O LEU A 12 4.284 -2.721 -21.135 1.00 0.00 O ATOM 158 CB LEU A 12 4.979 -4.992 -23.356 1.00 0.00 C ATOM 159 CG LEU A 12 4.681 -5.829 -22.109 1.00 0.00 C ATOM 160 CD1 LEU A 12 3.187 -6.072 -21.963 1.00 0.00 C ATOM 161 CD2 LEU A 12 5.433 -7.147 -22.164 1.00 0.00 C ATOM 0 H LEU A 12 5.336 -3.396 -25.238 1.00 0.00 H new ATOM 0 HA LEU A 12 3.287 -3.672 -23.305 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.619 -5.536 -24.229 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.060 -4.903 -23.460 1.00 0.00 H new ATOM 0 HG LEU A 12 5.020 -5.272 -21.235 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.001 -6.669 -21.070 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.670 -5.117 -21.875 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.818 -6.605 -22.839 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.211 -7.730 -21.271 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.125 -7.705 -23.048 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.504 -6.953 -22.213 1.00 0.00 H new ATOM 173 N GLN A 13 6.011 -2.085 -22.425 1.00 0.00 N ATOM 174 CA GLN A 13 6.618 -1.245 -21.398 1.00 0.00 C ATOM 175 C GLN A 13 5.757 -0.011 -21.134 1.00 0.00 C ATOM 176 O GLN A 13 5.752 0.531 -20.029 1.00 0.00 O ATOM 177 CB GLN A 13 8.044 -0.840 -21.791 1.00 0.00 C ATOM 178 CG GLN A 13 8.772 -0.037 -20.731 1.00 0.00 C ATOM 179 CD GLN A 13 10.245 0.100 -21.029 1.00 0.00 C ATOM 180 OE1 GLN A 13 10.847 -0.781 -21.646 1.00 0.00 O ATOM 181 NE2 GLN A 13 10.834 1.190 -20.595 1.00 0.00 N ATOM 0 H GLN A 13 6.520 -2.103 -23.309 1.00 0.00 H new ATOM 0 HA GLN A 13 6.676 -1.825 -20.477 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.619 -1.740 -22.009 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.004 -0.256 -22.711 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.324 0.954 -20.658 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.643 -0.518 -19.761 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.296 1.893 -20.088 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.830 1.334 -20.764 1.00 0.00 H new ATOM 190 N ARG A 14 5.009 0.418 -22.148 1.00 0.00 N ATOM 191 CA ARG A 14 4.118 1.559 -21.994 1.00 0.00 C ATOM 192 C ARG A 14 3.024 1.235 -20.995 1.00 0.00 C ATOM 193 O ARG A 14 2.597 2.091 -20.225 1.00 0.00 O ATOM 194 CB ARG A 14 3.485 1.966 -23.326 1.00 0.00 C ATOM 195 CG ARG A 14 4.472 2.433 -24.381 1.00 0.00 C ATOM 196 CD ARG A 14 3.755 3.205 -25.475 1.00 0.00 C ATOM 197 NE ARG A 14 3.066 4.375 -24.925 1.00 0.00 N ATOM 198 CZ ARG A 14 1.868 4.814 -25.323 1.00 0.00 C ATOM 199 NH1 ARG A 14 1.245 4.233 -26.343 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 1.306 5.846 -24.708 1.00 0.00 N ATOM 0 H ARG A 14 5.003 -0.005 -23.076 1.00 0.00 H new ATOM 0 HA ARG A 14 4.716 2.395 -21.631 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.926 1.118 -23.721 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.766 2.764 -23.142 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.233 3.064 -23.922 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.987 1.574 -24.811 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.473 3.523 -26.231 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.035 2.555 -25.972 1.00 0.00 H new ATOM 0 HE ARG A 14 3.536 4.893 -24.183 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.681 3.448 -26.826 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.331 4.572 -26.642 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.788 6.302 -23.934 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.392 6.183 -25.010 1.00 0.00 H new ATOM 214 N LEU A 15 2.592 -0.019 -20.993 1.00 0.00 N ATOM 215 CA LEU A 15 1.552 -0.469 -20.083 1.00 0.00 C ATOM 216 C LEU A 15 2.071 -0.460 -18.646 1.00 0.00 C ATOM 217 O LEU A 15 1.299 -0.325 -17.688 1.00 0.00 O ATOM 218 CB LEU A 15 1.060 -1.870 -20.473 1.00 0.00 C ATOM 219 CG LEU A 15 0.620 -2.038 -21.936 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.106 -3.447 -22.183 1.00 0.00 C ATOM 221 CD2 LEU A 15 -0.441 -1.011 -22.305 1.00 0.00 C ATOM 0 H LEU A 15 2.949 -0.744 -21.615 1.00 0.00 H new ATOM 0 HA LEU A 15 0.708 0.217 -20.152 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.857 -2.585 -20.268 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.222 -2.133 -19.828 1.00 0.00 H new ATOM 0 HG LEU A 15 1.490 -1.872 -22.571 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.200 -3.545 -23.224 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.897 -4.166 -21.968 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.748 -3.642 -21.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.736 -1.150 -23.345 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.311 -1.139 -21.661 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.037 -0.007 -22.174 1.00 0.00 H new ATOM 233 N LYS A 16 3.390 -0.571 -18.503 1.00 0.00 N ATOM 234 CA LYS A 16 4.029 -0.531 -17.197 1.00 0.00 C ATOM 235 C LYS A 16 4.159 0.914 -16.735 1.00 0.00 C ATOM 236 O LYS A 16 4.405 1.189 -15.562 1.00 0.00 O ATOM 237 CB LYS A 16 5.412 -1.196 -17.245 1.00 0.00 C ATOM 238 CG LYS A 16 5.391 -2.667 -17.645 1.00 0.00 C ATOM 239 CD LYS A 16 4.551 -3.495 -16.684 1.00 0.00 C ATOM 240 CE LYS A 16 4.619 -4.980 -17.015 1.00 0.00 C ATOM 241 NZ LYS A 16 5.979 -5.540 -16.803 1.00 0.00 N1+ ATOM 0 H LYS A 16 4.037 -0.690 -19.283 1.00 0.00 H new ATOM 0 HA LYS A 16 3.411 -1.083 -16.489 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.040 -0.650 -17.949 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.879 -1.106 -16.264 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.993 -2.765 -18.655 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.410 -3.054 -17.665 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.899 -3.333 -15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.515 -3.160 -16.724 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.904 -5.522 -16.396 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.322 -5.133 -18.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.934 -6.579 -16.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.614 -5.205 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.343 -5.228 -15.880 1.00 0.00 H new ATOM 255 N ASN A 17 4.004 1.828 -17.677 1.00 0.00 N ATOM 256 CA ASN A 17 4.074 3.255 -17.392 1.00 0.00 C ATOM 257 C ASN A 17 2.691 3.815 -17.055 1.00 0.00 C ATOM 258 O ASN A 17 2.568 4.734 -16.251 1.00 0.00 O ATOM 259 CB ASN A 17 4.704 4.026 -18.576 1.00 0.00 C ATOM 260 CG ASN A 17 4.693 5.528 -18.370 1.00 0.00 C ATOM 261 OD1 ASN A 17 5.605 6.089 -17.761 1.00 0.00 O ATOM 262 ND2 ASN A 17 3.676 6.194 -18.894 1.00 0.00 N ATOM 0 H ASN A 17 3.827 1.606 -18.657 1.00 0.00 H new ATOM 0 HA ASN A 17 4.715 3.390 -16.521 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.731 3.690 -18.717 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.162 3.785 -19.490 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.628 7.209 -18.800 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.940 5.693 -19.391 1.00 0.00 H new ATOM 269 N GLU A 18 1.655 3.252 -17.671 1.00 0.00 N ATOM 270 CA GLU A 18 0.284 3.706 -17.441 1.00 0.00 C ATOM 271 C GLU A 18 -0.177 3.333 -16.042 1.00 0.00 C ATOM 272 O GLU A 18 -0.611 4.195 -15.269 1.00 0.00 O ATOM 273 CB GLU A 18 -0.657 3.120 -18.490 1.00 0.00 C ATOM 274 CG GLU A 18 -0.291 3.512 -19.911 1.00 0.00 C ATOM 275 CD GLU A 18 -0.223 5.011 -20.090 1.00 0.00 C ATOM 276 OE1 GLU A 18 -1.290 5.647 -20.188 1.00 0.00 O ATOM 277 OE2 GLU A 18 0.898 5.565 -20.126 1.00 0.00 O1- ATOM 0 H GLU A 18 1.737 2.481 -18.333 1.00 0.00 H new ATOM 0 HA GLU A 18 0.264 4.792 -17.529 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.651 2.033 -18.407 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.675 3.450 -18.280 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.672 3.073 -20.171 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.026 3.098 -20.601 1.00 0.00 H new ATOM 284 N ARG A 19 -0.088 2.041 -15.728 1.00 0.00 N ATOM 285 CA ARG A 19 -0.402 1.521 -14.391 1.00 0.00 C ATOM 286 C ARG A 19 -1.874 1.714 -14.002 1.00 0.00 C ATOM 287 O ARG A 19 -2.663 2.332 -14.729 1.00 0.00 O ATOM 288 CB ARG A 19 0.508 2.182 -13.343 1.00 0.00 C ATOM 289 CG ARG A 19 1.987 2.025 -13.633 1.00 0.00 C ATOM 290 CD ARG A 19 2.842 2.814 -12.658 1.00 0.00 C ATOM 291 NE ARG A 19 2.633 4.261 -12.773 1.00 0.00 N ATOM 292 CZ ARG A 19 3.572 5.130 -13.160 1.00 0.00 C ATOM 293 NH1 ARG A 19 4.766 4.697 -13.549 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 3.307 6.432 -13.171 1.00 0.00 N ATOM 0 H ARG A 19 0.203 1.323 -16.391 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.221 0.447 -14.420 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.269 3.244 -13.286 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.291 1.753 -12.365 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.257 0.970 -13.581 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.195 2.358 -14.650 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.614 2.497 -11.640 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.893 2.587 -12.835 1.00 0.00 H new ATOM 0 HE ARG A 19 1.710 4.629 -12.542 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.970 3.698 -13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.479 5.364 -13.843 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.388 6.768 -12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.023 7.096 -13.466 1.00 0.00 H new ATOM 308 N HIS A 20 -2.228 1.167 -12.853 1.00 0.00 N ATOM 309 CA HIS A 20 -3.571 1.295 -12.292 1.00 0.00 C ATOM 310 C HIS A 20 -3.468 1.751 -10.837 1.00 0.00 C ATOM 311 O HIS A 20 -4.444 2.195 -10.237 1.00 0.00 O ATOM 312 CB HIS A 20 -4.318 -0.058 -12.388 1.00 0.00 C ATOM 313 CG HIS A 20 -5.670 -0.089 -11.715 1.00 0.00 C ATOM 314 ND1 HIS A 20 -6.831 0.339 -12.323 1.00 0.00 N ATOM 315 CD2 HIS A 20 -6.036 -0.509 -10.476 1.00 0.00 C ATOM 316 CE1 HIS A 20 -7.848 0.185 -11.489 1.00 0.00 C ATOM 317 NE2 HIS A 20 -7.390 -0.328 -10.363 1.00 0.00 N ATOM 0 H HIS A 20 -1.592 0.617 -12.276 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.135 2.036 -12.858 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.447 -0.311 -13.440 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.692 -0.834 -11.948 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.380 -0.912 -9.718 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.878 0.437 -11.695 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.952 -0.553 -9.542 1.00 0.00 H new ATOM 325 N GLU A 21 -2.262 1.646 -10.292 1.00 0.00 N ATOM 326 CA GLU A 21 -1.985 1.997 -8.906 1.00 0.00 C ATOM 327 C GLU A 21 -2.429 3.425 -8.580 1.00 0.00 C ATOM 328 O GLU A 21 -3.132 3.649 -7.600 1.00 0.00 O ATOM 329 CB GLU A 21 -0.487 1.830 -8.592 1.00 0.00 C ATOM 330 CG GLU A 21 0.059 0.415 -8.810 1.00 0.00 C ATOM 331 CD GLU A 21 0.396 0.111 -10.262 1.00 0.00 C ATOM 332 OE1 GLU A 21 -0.519 -0.262 -11.032 1.00 0.00 O ATOM 333 OE2 GLU A 21 1.577 0.231 -10.637 1.00 0.00 O1- ATOM 0 H GLU A 21 -1.444 1.313 -10.803 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.561 1.315 -8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.080 2.523 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.313 2.116 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.954 0.282 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.676 -0.308 -8.457 1.00 0.00 H new ATOM 340 N GLU A 22 -2.042 4.373 -9.420 1.00 0.00 N ATOM 341 CA GLU A 22 -2.362 5.783 -9.190 1.00 0.00 C ATOM 342 C GLU A 22 -3.865 6.032 -9.307 1.00 0.00 C ATOM 343 O GLU A 22 -4.411 6.903 -8.638 1.00 0.00 O ATOM 344 CB GLU A 22 -1.601 6.668 -10.179 1.00 0.00 C ATOM 345 CG GLU A 22 -0.103 6.445 -10.164 1.00 0.00 C ATOM 346 CD GLU A 22 0.524 6.720 -11.505 1.00 0.00 C ATOM 347 OE1 GLU A 22 1.044 7.830 -11.715 1.00 0.00 O ATOM 348 OE2 GLU A 22 0.498 5.818 -12.364 1.00 0.00 O1- ATOM 0 H GLU A 22 -1.505 4.196 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.054 6.038 -8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.978 6.482 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.807 7.714 -9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.352 7.090 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.107 5.417 -9.870 1.00 0.00 H new ATOM 355 N ALA A 23 -4.535 5.240 -10.135 1.00 0.00 N ATOM 356 CA ALA A 23 -5.971 5.399 -10.334 1.00 0.00 C ATOM 357 C ALA A 23 -6.746 4.714 -9.220 1.00 0.00 C ATOM 358 O ALA A 23 -7.901 5.045 -8.952 1.00 0.00 O ATOM 359 CB ALA A 23 -6.401 4.864 -11.698 1.00 0.00 C ATOM 0 H ALA A 23 -4.111 4.486 -10.676 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.197 6.465 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.476 4.996 -11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.878 5.409 -12.484 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.156 3.804 -11.767 1.00 0.00 H new ATOM 365 N GLU A 24 -6.099 3.764 -8.568 1.00 0.00 N ATOM 366 CA GLU A 24 -6.717 3.041 -7.469 1.00 0.00 C ATOM 367 C GLU A 24 -6.521 3.823 -6.178 1.00 0.00 C ATOM 368 O GLU A 24 -7.433 3.932 -5.352 1.00 0.00 O ATOM 369 CB GLU A 24 -6.114 1.630 -7.334 1.00 0.00 C ATOM 370 CG GLU A 24 -6.902 0.705 -6.420 1.00 0.00 C ATOM 371 CD GLU A 24 -8.285 0.406 -6.958 1.00 0.00 C ATOM 372 OE1 GLU A 24 -8.416 -0.514 -7.798 1.00 0.00 O ATOM 373 OE2 GLU A 24 -9.245 1.081 -6.550 1.00 0.00 O1- ATOM 0 H GLU A 24 -5.144 3.474 -8.781 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.783 2.934 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.050 1.178 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.095 1.716 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.355 -0.229 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.989 1.160 -5.434 1.00 0.00 H new ATOM 380 N LEU A 25 -5.330 4.386 -6.020 1.00 0.00 N ATOM 381 CA LEU A 25 -5.008 5.177 -4.844 1.00 0.00 C ATOM 382 C LEU A 25 -5.775 6.494 -4.852 1.00 0.00 C ATOM 383 O LEU A 25 -6.057 7.048 -3.802 1.00 0.00 O ATOM 384 CB LEU A 25 -3.496 5.437 -4.746 1.00 0.00 C ATOM 385 CG LEU A 25 -2.610 4.195 -4.604 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.143 4.587 -4.596 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.962 3.427 -3.338 1.00 0.00 C ATOM 0 H LEU A 25 -4.570 4.308 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.310 4.605 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.183 5.983 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.314 6.089 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.790 3.546 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.528 3.693 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.896 5.093 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.950 5.257 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.322 2.549 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.812 4.068 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.005 3.113 -3.381 1.00 0.00 H new ATOM 399 N GLU A 26 -6.134 6.971 -6.047 1.00 0.00 N ATOM 400 CA GLU A 26 -6.892 8.230 -6.193 1.00 0.00 C ATOM 401 C GLU A 26 -8.241 8.119 -5.484 1.00 0.00 C ATOM 402 O GLU A 26 -8.750 9.090 -4.924 1.00 0.00 O ATOM 403 CB GLU A 26 -7.115 8.563 -7.681 1.00 0.00 C ATOM 404 CG GLU A 26 -7.803 9.901 -7.927 1.00 0.00 C ATOM 405 CD GLU A 26 -6.938 11.087 -7.555 1.00 0.00 C ATOM 406 OE1 GLU A 26 -6.073 11.474 -8.371 1.00 0.00 O ATOM 407 OE2 GLU A 26 -7.126 11.650 -6.463 1.00 0.00 O1- ATOM 0 H GLU A 26 -5.915 6.510 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.311 9.032 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.151 8.564 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.713 7.772 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.078 9.974 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.729 9.939 -7.353 1.00 0.00 H new ATOM 414 N ARG A 27 -8.804 6.922 -5.508 1.00 0.00 N ATOM 415 CA ARG A 27 -10.085 6.662 -4.871 1.00 0.00 C ATOM 416 C ARG A 27 -9.947 6.732 -3.358 1.00 0.00 C ATOM 417 O ARG A 27 -10.744 7.371 -2.677 1.00 0.00 O ATOM 418 CB ARG A 27 -10.613 5.289 -5.286 1.00 0.00 C ATOM 419 CG ARG A 27 -10.740 5.107 -6.791 1.00 0.00 C ATOM 420 CD ARG A 27 -11.114 3.677 -7.148 1.00 0.00 C ATOM 421 NE ARG A 27 -12.442 3.310 -6.659 1.00 0.00 N ATOM 422 CZ ARG A 27 -12.802 2.070 -6.309 1.00 0.00 C ATOM 423 NH1 ARG A 27 -11.910 1.082 -6.315 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -14.052 1.826 -5.934 1.00 0.00 N ATOM 0 H ARG A 27 -8.390 6.109 -5.965 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.794 7.424 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.948 4.520 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.589 5.132 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.496 5.790 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.797 5.369 -7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.082 3.555 -8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.374 2.995 -6.729 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.141 4.049 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.945 1.268 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.192 0.139 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.735 2.583 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.329 0.881 -5.667 1.00 0.00 H new ATOM 438 N LEU A 28 -8.910 6.089 -2.841 1.00 0.00 N ATOM 439 CA LEU A 28 -8.661 6.066 -1.397 1.00 0.00 C ATOM 440 C LEU A 28 -8.136 7.417 -0.918 1.00 0.00 C ATOM 441 O LEU A 28 -8.310 7.789 0.239 1.00 0.00 O ATOM 442 CB LEU A 28 -7.667 4.947 -1.024 1.00 0.00 C ATOM 443 CG LEU A 28 -7.313 4.843 0.461 1.00 0.00 C ATOM 444 CD1 LEU A 28 -8.547 4.512 1.287 1.00 0.00 C ATOM 445 CD2 LEU A 28 -6.225 3.805 0.676 1.00 0.00 C ATOM 0 H LEU A 28 -8.225 5.575 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.609 5.863 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.084 3.993 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.747 5.100 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.934 5.810 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.272 4.443 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.293 5.296 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.961 3.559 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.985 3.744 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.575 2.834 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.333 4.092 0.119 1.00 0.00 H new ATOM 457 N LYS A 29 -7.519 8.152 -1.828 1.00 0.00 N ATOM 458 CA LYS A 29 -6.938 9.458 -1.516 1.00 0.00 C ATOM 459 C LYS A 29 -8.030 10.469 -1.171 1.00 0.00 C ATOM 460 O LYS A 29 -7.778 11.465 -0.492 1.00 0.00 O ATOM 461 CB LYS A 29 -6.081 9.961 -2.691 1.00 0.00 C ATOM 462 CG LYS A 29 -5.253 11.191 -2.386 1.00 0.00 C ATOM 463 CD LYS A 29 -4.346 11.525 -3.551 1.00 0.00 C ATOM 464 CE LYS A 29 -3.500 12.747 -3.270 1.00 0.00 C ATOM 465 NZ LYS A 29 -2.623 13.076 -4.415 1.00 0.00 N1+ ATOM 0 H LYS A 29 -7.404 7.867 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.294 9.346 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.414 9.159 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.736 10.180 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.910 12.035 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.656 11.021 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.698 10.675 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.948 11.697 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.147 13.596 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.891 12.573 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.057 13.919 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.989 12.275 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.206 13.266 -5.255 1.00 0.00 H new ATOM 479 N SER A 30 -9.244 10.201 -1.629 1.00 0.00 N ATOM 480 CA SER A 30 -10.370 11.068 -1.321 1.00 0.00 C ATOM 481 C SER A 30 -10.795 10.868 0.135 1.00 0.00 C ATOM 482 O SER A 30 -11.341 11.778 0.764 1.00 0.00 O ATOM 483 CB SER A 30 -11.557 10.805 -2.274 1.00 0.00 C ATOM 484 OG SER A 30 -12.621 11.712 -2.031 1.00 0.00 O ATOM 0 H SER A 30 -9.473 9.396 -2.211 1.00 0.00 H new ATOM 0 HA SER A 30 -10.057 12.102 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.224 10.899 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.911 9.782 -2.145 1.00 0.00 H new ATOM 0 HG SER A 30 -12.357 12.611 -2.320 1.00 0.00 H new ATOM 490 N GLU A 31 -10.520 9.665 0.669 1.00 0.00 N ATOM 491 CA GLU A 31 -10.863 9.311 2.064 1.00 0.00 C ATOM 492 C GLU A 31 -12.354 9.500 2.335 1.00 0.00 C ATOM 493 O GLU A 31 -12.763 9.773 3.467 1.00 0.00 O ATOM 494 CB GLU A 31 -10.033 10.138 3.041 1.00 0.00 C ATOM 495 CG GLU A 31 -8.543 9.894 2.915 1.00 0.00 C ATOM 496 CD GLU A 31 -7.755 10.587 3.987 1.00 0.00 C ATOM 497 OE1 GLU A 31 -7.261 11.704 3.738 1.00 0.00 O ATOM 498 OE2 GLU A 31 -7.623 10.018 5.092 1.00 0.00 O1- ATOM 0 H GLU A 31 -10.058 8.915 0.154 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.629 8.256 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.236 11.196 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.347 9.909 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.348 8.822 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.203 10.238 1.938 1.00 0.00 H new ATOM 505 N ARG A 32 -13.157 9.332 1.281 1.00 0.00 N ATOM 506 CA ARG A 32 -14.610 9.457 1.347 1.00 0.00 C ATOM 507 C ARG A 32 -15.061 10.897 1.592 1.00 0.00 C ATOM 508 O ARG A 32 -16.225 11.145 1.906 1.00 0.00 O ATOM 509 CB ARG A 32 -15.205 8.506 2.393 1.00 0.00 C ATOM 510 CG ARG A 32 -14.956 7.038 2.085 1.00 0.00 C ATOM 511 CD ARG A 32 -15.665 6.133 3.073 1.00 0.00 C ATOM 512 NE ARG A 32 -17.113 6.355 3.073 1.00 0.00 N ATOM 513 CZ ARG A 32 -18.011 5.500 2.572 1.00 0.00 C ATOM 514 NH1 ARG A 32 -17.616 4.387 1.959 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -19.305 5.774 2.665 1.00 0.00 N ATOM 0 H ARG A 32 -12.810 9.103 0.350 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.993 9.167 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.782 8.742 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.279 8.678 2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.299 6.814 1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.885 6.837 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.457 5.092 2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.271 6.308 4.074 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.460 7.222 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.621 4.180 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.308 3.741 1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.613 6.635 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.993 5.124 2.284 1.00 0.00 H new ATOM 529 N HIS A 33 -14.153 11.848 1.416 1.00 0.00 N ATOM 530 CA HIS A 33 -14.498 13.257 1.568 1.00 0.00 C ATOM 531 C HIS A 33 -15.366 13.698 0.394 1.00 0.00 C ATOM 532 O HIS A 33 -16.147 14.643 0.497 1.00 0.00 O ATOM 533 CB HIS A 33 -13.232 14.124 1.672 1.00 0.00 C ATOM 534 CG HIS A 33 -13.501 15.596 1.841 1.00 0.00 C ATOM 535 ND1 HIS A 33 -13.096 16.543 0.923 1.00 0.00 N ATOM 536 CD2 HIS A 33 -14.130 16.283 2.830 1.00 0.00 C ATOM 537 CE1 HIS A 33 -13.461 17.744 1.339 1.00 0.00 C ATOM 538 NE2 HIS A 33 -14.089 17.613 2.489 1.00 0.00 N ATOM 0 H HIS A 33 -13.179 11.673 1.170 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.061 13.387 2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -12.636 13.776 2.516 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -12.631 13.977 0.775 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -14.578 15.862 3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.276 18.674 0.823 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -14.482 18.377 3.039 1.00 0.00 H new ATOM 546 N ASP A 34 -15.232 12.986 -0.720 1.00 0.00 N ATOM 547 CA ASP A 34 -16.035 13.258 -1.908 1.00 0.00 C ATOM 548 C ASP A 34 -17.489 12.854 -1.665 1.00 0.00 C ATOM 549 O ASP A 34 -18.410 13.351 -2.318 1.00 0.00 O ATOM 550 CB ASP A 34 -15.466 12.511 -3.116 1.00 0.00 C ATOM 551 CG ASP A 34 -16.158 12.875 -4.409 1.00 0.00 C ATOM 552 OD1 ASP A 34 -17.011 12.090 -4.870 1.00 0.00 O ATOM 553 OD2 ASP A 34 -15.841 13.946 -4.970 1.00 0.00 O1- ATOM 0 H ASP A 34 -14.573 12.214 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.002 14.327 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.402 12.730 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.558 11.438 -2.950 1.00 0.00 H new ATOM 558 N HIS A 35 -17.688 11.965 -0.701 1.00 0.00 N ATOM 559 CA HIS A 35 -19.021 11.520 -0.327 1.00 0.00 C ATOM 560 C HIS A 35 -19.725 12.620 0.446 1.00 0.00 C ATOM 561 O HIS A 35 -20.937 12.799 0.330 1.00 0.00 O ATOM 562 CB HIS A 35 -18.952 10.246 0.523 1.00 0.00 C ATOM 563 CG HIS A 35 -18.397 9.059 -0.200 1.00 0.00 C ATOM 564 ND1 HIS A 35 -17.067 8.941 -0.548 1.00 0.00 N ATOM 565 CD2 HIS A 35 -18.996 7.931 -0.641 1.00 0.00 C ATOM 566 CE1 HIS A 35 -16.876 7.793 -1.171 1.00 0.00 C ATOM 567 NE2 HIS A 35 -18.029 7.163 -1.239 1.00 0.00 N ATOM 0 H HIS A 35 -16.936 11.536 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 35 -19.581 11.295 -1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -18.339 10.442 1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -19.953 10.005 0.880 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -20.042 7.680 -0.541 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.935 7.433 -1.559 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -18.180 6.250 -1.668 1.00 0.00 H new ATOM 575 N ASP A 36 -18.944 13.370 1.220 1.00 0.00 N ATOM 576 CA ASP A 36 -19.483 14.484 2.007 1.00 0.00 C ATOM 577 C ASP A 36 -19.989 15.583 1.093 1.00 0.00 C ATOM 578 O ASP A 36 -20.932 16.293 1.425 1.00 0.00 O ATOM 579 CB ASP A 36 -18.438 15.051 2.980 1.00 0.00 C ATOM 580 CG ASP A 36 -18.963 16.248 3.750 1.00 0.00 C ATOM 581 OD1 ASP A 36 -19.720 16.052 4.730 1.00 0.00 O ATOM 582 OD2 ASP A 36 -18.616 17.389 3.390 1.00 0.00 O1- ATOM 0 H ASP A 36 -17.939 13.230 1.321 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.314 14.095 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -18.137 14.273 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.546 15.341 2.424 1.00 0.00 H new ATOM 587 N LYS A 37 -19.360 15.711 -0.072 1.00 0.00 N ATOM 588 CA LYS A 37 -19.783 16.694 -1.064 1.00 0.00 C ATOM 589 C LYS A 37 -21.237 16.454 -1.438 1.00 0.00 C ATOM 590 O LYS A 37 -22.022 17.386 -1.553 1.00 0.00 O ATOM 591 CB LYS A 37 -18.924 16.597 -2.321 1.00 0.00 C ATOM 592 CG LYS A 37 -17.439 16.799 -2.100 1.00 0.00 C ATOM 593 CD LYS A 37 -16.685 16.588 -3.397 1.00 0.00 C ATOM 594 CE LYS A 37 -15.183 16.654 -3.206 1.00 0.00 C ATOM 595 NZ LYS A 37 -14.468 16.286 -4.450 1.00 0.00 N1+ ATOM 0 H LYS A 37 -18.557 15.147 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.668 17.688 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.079 15.618 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.273 17.339 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.253 17.804 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.078 16.102 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.953 15.619 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.991 17.344 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.896 17.661 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.886 15.982 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.449 16.208 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.825 15.373 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.627 17.018 -5.171 1.00 0.00 H new ATOM 609 N LYS A 38 -21.583 15.185 -1.606 1.00 0.00 N ATOM 610 CA LYS A 38 -22.937 14.791 -1.964 1.00 0.00 C ATOM 611 C LYS A 38 -23.882 14.997 -0.786 1.00 0.00 C ATOM 612 O LYS A 38 -25.086 15.205 -0.966 1.00 0.00 O ATOM 613 CB LYS A 38 -22.956 13.333 -2.419 1.00 0.00 C ATOM 614 CG LYS A 38 -22.048 13.063 -3.608 1.00 0.00 C ATOM 615 CD LYS A 38 -21.979 11.585 -3.935 1.00 0.00 C ATOM 616 CE LYS A 38 -21.103 11.330 -5.152 1.00 0.00 C ATOM 617 NZ LYS A 38 -19.716 11.828 -4.961 1.00 0.00 N1+ ATOM 0 H LYS A 38 -20.936 14.404 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.278 15.418 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.654 12.696 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.977 13.054 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.413 13.611 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.046 13.436 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.584 11.039 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.983 11.204 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.077 10.261 -5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.544 11.815 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.042 11.131 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.598 12.730 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.536 11.972 -3.947 1.00 0.00 H new ATOM 631 N GLU A 39 -23.333 14.940 0.421 1.00 0.00 N ATOM 632 CA GLU A 39 -24.120 15.174 1.621 1.00 0.00 C ATOM 633 C GLU A 39 -24.437 16.655 1.751 1.00 0.00 C ATOM 634 O GLU A 39 -25.441 17.035 2.350 1.00 0.00 O ATOM 635 CB GLU A 39 -23.390 14.676 2.877 1.00 0.00 C ATOM 636 CG GLU A 39 -23.137 13.180 2.888 1.00 0.00 C ATOM 637 CD GLU A 39 -24.411 12.379 2.753 1.00 0.00 C ATOM 638 OE1 GLU A 39 -25.142 12.237 3.757 1.00 0.00 O ATOM 639 OE2 GLU A 39 -24.685 11.880 1.649 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.349 14.734 0.593 1.00 0.00 H new ATOM 0 HA GLU A 39 -25.049 14.612 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -22.436 15.197 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.977 14.942 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -22.461 12.923 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -22.635 12.906 3.816 1.00 0.00 H new ATOM 646 N ALA A 40 -23.588 17.489 1.158 1.00 0.00 N ATOM 647 CA ALA A 40 -23.784 18.933 1.200 1.00 0.00 C ATOM 648 C ALA A 40 -25.032 19.329 0.417 1.00 0.00 C ATOM 649 O ALA A 40 -25.678 20.327 0.733 1.00 0.00 O ATOM 650 CB ALA A 40 -22.548 19.687 0.694 1.00 0.00 C ATOM 0 H ALA A 40 -22.759 17.190 0.644 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.930 19.219 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -22.732 20.760 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -21.690 19.439 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -22.342 19.398 -0.337 1.00 0.00 H new ATOM 656 N GLU A 41 -25.380 18.531 -0.596 1.00 0.00 N ATOM 657 CA GLU A 41 -26.598 18.785 -1.367 1.00 0.00 C ATOM 658 C GLU A 41 -27.815 18.420 -0.548 1.00 0.00 C ATOM 659 O GLU A 41 -28.852 19.069 -0.633 1.00 0.00 O ATOM 660 CB GLU A 41 -26.622 18.019 -2.708 1.00 0.00 C ATOM 661 CG GLU A 41 -25.847 18.691 -3.835 1.00 0.00 C ATOM 662 CD GLU A 41 -24.355 18.719 -3.610 1.00 0.00 C ATOM 663 OE1 GLU A 41 -23.654 17.828 -4.143 1.00 0.00 O ATOM 664 OE2 GLU A 41 -23.869 19.638 -2.923 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.845 17.717 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 41 -26.611 19.849 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.214 17.021 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -27.658 17.894 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.055 18.169 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -26.207 19.713 -3.953 1.00 0.00 H new ATOM 671 N ARG A 42 -27.680 17.382 0.262 1.00 0.00 N ATOM 672 CA ARG A 42 -28.769 16.947 1.115 1.00 0.00 C ATOM 673 C ARG A 42 -28.953 17.948 2.247 1.00 0.00 C ATOM 674 O ARG A 42 -30.073 18.349 2.567 1.00 0.00 O ATOM 675 CB ARG A 42 -28.491 15.553 1.686 1.00 0.00 C ATOM 676 CG ARG A 42 -28.098 14.513 0.651 1.00 0.00 C ATOM 677 CD ARG A 42 -29.137 14.378 -0.452 1.00 0.00 C ATOM 678 NE ARG A 42 -28.779 13.318 -1.395 1.00 0.00 N ATOM 679 CZ ARG A 42 -28.509 13.504 -2.690 1.00 0.00 C ATOM 680 NH1 ARG A 42 -28.595 14.718 -3.230 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -28.162 12.469 -3.450 1.00 0.00 N ATOM 0 H ARG A 42 -26.828 16.827 0.345 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.681 16.894 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.694 15.630 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -29.381 15.206 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -27.138 14.785 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -27.963 13.549 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -30.111 14.162 -0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -29.230 15.325 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 42 -28.732 12.364 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -28.869 15.514 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -28.387 14.852 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -28.102 11.535 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -27.955 12.609 -4.439 1.00 0.00 H new ATOM 695 N LYS A 43 -27.838 18.363 2.828 1.00 0.00 N ATOM 696 CA LYS A 43 -27.842 19.349 3.906 1.00 0.00 C ATOM 697 C LYS A 43 -28.429 20.679 3.426 1.00 0.00 C ATOM 698 O LYS A 43 -29.122 21.369 4.177 1.00 0.00 O ATOM 699 CB LYS A 43 -26.416 19.545 4.481 1.00 0.00 C ATOM 700 CG LYS A 43 -26.292 20.691 5.470 1.00 0.00 C ATOM 701 CD LYS A 43 -24.904 20.738 6.085 1.00 0.00 C ATOM 702 CE LYS A 43 -24.731 21.966 6.956 1.00 0.00 C ATOM 703 NZ LYS A 43 -23.449 21.945 7.708 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.909 18.031 2.570 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.477 18.972 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -26.105 18.622 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -25.725 19.716 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.501 21.634 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.038 20.578 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.737 19.840 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.153 20.741 5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.770 22.860 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.562 22.031 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.374 22.804 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.421 21.107 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.654 21.910 7.038 1.00 0.00 H new ATOM 717 N ALA A 44 -28.185 21.015 2.161 1.00 0.00 N ATOM 718 CA ALA A 44 -28.690 22.253 1.587 1.00 0.00 C ATOM 719 C ALA A 44 -30.209 22.222 1.466 1.00 0.00 C ATOM 720 O ALA A 44 -30.862 23.270 1.426 1.00 0.00 O ATOM 721 CB ALA A 44 -28.050 22.514 0.232 1.00 0.00 C ATOM 0 H ALA A 44 -27.639 20.444 1.516 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.423 23.069 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -28.440 23.444 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.969 22.594 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -28.281 21.691 -0.444 1.00 0.00 H new ATOM 727 N LEU A 45 -30.774 21.019 1.419 1.00 0.00 N ATOM 728 CA LEU A 45 -32.214 20.868 1.313 1.00 0.00 C ATOM 729 C LEU A 45 -32.885 21.213 2.640 1.00 0.00 C ATOM 730 O LEU A 45 -33.972 21.779 2.661 1.00 0.00 O ATOM 731 CB LEU A 45 -32.598 19.443 0.864 1.00 0.00 C ATOM 732 CG LEU A 45 -32.027 18.986 -0.482 1.00 0.00 C ATOM 733 CD1 LEU A 45 -32.408 17.541 -0.758 1.00 0.00 C ATOM 734 CD2 LEU A 45 -32.513 19.887 -1.609 1.00 0.00 C ATOM 0 H LEU A 45 -30.256 20.141 1.453 1.00 0.00 H new ATOM 0 HA LEU A 45 -32.569 21.562 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -32.272 18.741 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -33.685 19.379 0.815 1.00 0.00 H new ATOM 0 HG LEU A 45 -30.940 19.056 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -31.994 17.233 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -32.010 16.903 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -33.494 17.450 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -32.095 19.544 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -33.601 19.852 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -32.191 20.911 -1.421 1.00 0.00 H new ATOM 746 N GLU A 46 -32.213 20.907 3.752 1.00 0.00 N ATOM 747 CA GLU A 46 -32.770 21.197 5.064 1.00 0.00 C ATOM 748 C GLU A 46 -32.402 22.609 5.481 1.00 0.00 C ATOM 749 O GLU A 46 -33.169 23.285 6.159 1.00 0.00 O ATOM 750 CB GLU A 46 -32.272 20.196 6.120 1.00 0.00 C ATOM 751 CG GLU A 46 -32.482 18.742 5.752 1.00 0.00 C ATOM 752 CD GLU A 46 -32.024 17.803 6.845 1.00 0.00 C ATOM 753 OE1 GLU A 46 -30.821 17.812 7.177 1.00 0.00 O ATOM 754 OE2 GLU A 46 -32.863 17.048 7.384 1.00 0.00 O1- ATOM 0 H GLU A 46 -31.294 20.464 3.766 1.00 0.00 H new ATOM 0 HA GLU A 46 -33.854 21.105 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -31.209 20.365 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -32.782 20.397 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -33.539 18.570 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -31.939 18.520 4.833 1.00 0.00 H new ATOM 761 N ASP A 47 -31.236 23.063 5.031 1.00 0.00 N ATOM 762 CA ASP A 47 -30.734 24.394 5.382 1.00 0.00 C ATOM 763 C ASP A 47 -31.635 25.482 4.801 1.00 0.00 C ATOM 764 O ASP A 47 -31.808 26.539 5.392 1.00 0.00 O ATOM 765 CB ASP A 47 -29.272 24.571 4.898 1.00 0.00 C ATOM 766 CG ASP A 47 -28.662 25.896 5.305 1.00 0.00 C ATOM 767 OD1 ASP A 47 -27.974 25.941 6.343 1.00 0.00 O ATOM 768 OD2 ASP A 47 -28.837 26.886 4.572 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.617 22.529 4.421 1.00 0.00 H new ATOM 0 HA ASP A 47 -30.746 24.489 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -28.663 23.760 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.243 24.484 3.812 1.00 0.00 H new ATOM 773 N LYS A 48 -32.227 25.200 3.648 1.00 0.00 N ATOM 774 CA LYS A 48 -33.114 26.159 2.996 1.00 0.00 C ATOM 775 C LYS A 48 -34.553 25.984 3.486 1.00 0.00 C ATOM 776 O LYS A 48 -35.245 26.964 3.786 1.00 0.00 O ATOM 777 CB LYS A 48 -33.041 26.008 1.466 1.00 0.00 C ATOM 778 CG LYS A 48 -33.852 27.037 0.697 1.00 0.00 C ATOM 779 CD LYS A 48 -33.642 26.889 -0.801 1.00 0.00 C ATOM 780 CE LYS A 48 -34.471 27.892 -1.590 1.00 0.00 C ATOM 781 NZ LYS A 48 -35.928 27.689 -1.396 1.00 0.00 N1+ ATOM 0 H LYS A 48 -32.111 24.320 3.146 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.784 27.164 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.999 26.078 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -33.389 25.011 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -34.910 26.921 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -33.564 28.040 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -32.586 27.026 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -33.908 25.877 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -34.203 28.903 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -34.232 27.805 -2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -36.453 28.249 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -36.157 26.682 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -36.196 27.993 -0.438 1.00 0.00 H new ATOM 795 N LEU A 49 -34.979 24.731 3.599 1.00 0.00 N ATOM 796 CA LEU A 49 -36.358 24.405 4.006 1.00 0.00 C ATOM 797 C LEU A 49 -36.626 24.886 5.440 1.00 0.00 C ATOM 798 O LEU A 49 -37.665 25.496 5.721 1.00 0.00 O ATOM 799 CB LEU A 49 -36.617 22.871 3.884 1.00 0.00 C ATOM 800 CG LEU A 49 -38.080 22.412 3.694 1.00 0.00 C ATOM 801 CD1 LEU A 49 -38.920 22.690 4.926 1.00 0.00 C ATOM 802 CD2 LEU A 49 -38.695 23.064 2.464 1.00 0.00 C ATOM 0 H LEU A 49 -34.394 23.916 3.416 1.00 0.00 H new ATOM 0 HA LEU A 49 -37.045 24.923 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -36.034 22.496 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -36.227 22.391 4.781 1.00 0.00 H new ATOM 0 HG LEU A 49 -38.067 21.333 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -39.942 22.353 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -38.502 22.157 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -38.921 23.760 5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -39.725 22.726 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -38.679 24.148 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -38.122 22.786 1.580 1.00 0.00 H new ATOM 814 N ALA A 50 -35.678 24.635 6.335 1.00 0.00 N ATOM 815 CA ALA A 50 -35.835 25.026 7.737 1.00 0.00 C ATOM 816 C ALA A 50 -35.651 26.528 7.923 1.00 0.00 C ATOM 817 O ALA A 50 -36.114 27.098 8.908 1.00 0.00 O ATOM 818 CB ALA A 50 -34.874 24.254 8.642 1.00 0.00 C ATOM 0 H ALA A 50 -34.798 24.166 6.121 1.00 0.00 H new ATOM 0 HA ALA A 50 -36.854 24.772 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -35.016 24.568 9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -35.073 23.186 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.847 24.457 8.339 1.00 0.00 H new ATOM 824 N ASP A 51 -34.983 27.167 6.973 1.00 0.00 N ATOM 825 CA ASP A 51 -34.754 28.613 7.055 1.00 0.00 C ATOM 826 C ASP A 51 -35.991 29.378 6.629 1.00 0.00 C ATOM 827 O ASP A 51 -36.396 30.335 7.285 1.00 0.00 O ATOM 828 CB ASP A 51 -33.552 29.048 6.209 1.00 0.00 C ATOM 829 CG ASP A 51 -33.301 30.542 6.291 1.00 0.00 C ATOM 830 OD1 ASP A 51 -32.763 31.005 7.320 1.00 0.00 O ATOM 831 OD2 ASP A 51 -33.629 31.261 5.323 1.00 0.00 O1- ATOM 0 H ASP A 51 -34.592 26.719 6.144 1.00 0.00 H new ATOM 0 HA ASP A 51 -34.533 28.845 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -32.663 28.514 6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -33.721 28.767 5.170 1.00 0.00 H new