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+ -169:sc=-0.00403 (180deg=-0.129) USER MOD Single : A 7 THR OG1 : rot 100:sc= 1.28 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-2.4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 79:sc= 1.18 USER MOD Single : A 33 HIS : no HE2:sc= 0.0384 K(o=0.038,f=-2.1) USER MOD Single : A 35 HIS : no HD1:sc= 0.103 K(o=0.1,f=-2.6!) USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0.899 (180deg=0.0595!) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc= -0.0767 (180deg=-0.401) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc=-0.00986 (180deg=-0.138) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N GLU A 4 -48.583 -9.660 -2.385 1.00 0.00 N ATOM 38 CA GLU A 4 -47.558 -9.534 -1.371 1.00 0.00 C ATOM 39 C GLU A 4 -46.157 -9.581 -2.035 1.00 0.00 C ATOM 40 O GLU A 4 -46.052 -9.871 -3.226 1.00 0.00 O ATOM 41 CB GLU A 4 -47.723 -10.640 -0.320 1.00 0.00 C ATOM 42 CG GLU A 4 -46.927 -10.415 0.952 1.00 0.00 C ATOM 43 CD GLU A 4 -47.325 -11.354 2.060 1.00 0.00 C ATOM 44 OE1 GLU A 4 -46.712 -12.431 2.182 1.00 0.00 O ATOM 45 OE2 GLU A 4 -48.253 -11.015 2.824 1.00 0.00 O1- ATOM 0 HA GLU A 4 -47.658 -8.575 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -48.779 -10.727 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -47.422 -11.591 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -45.866 -10.541 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -47.066 -9.387 1.285 1.00 0.00 H new ATOM 52 N LYS A 5 -45.086 -9.319 -1.265 1.00 0.00 N ATOM 53 CA LYS A 5 -43.729 -9.277 -1.821 1.00 0.00 C ATOM 54 C LYS A 5 -43.094 -10.674 -1.885 1.00 0.00 C ATOM 55 O LYS A 5 -41.958 -10.864 -1.437 1.00 0.00 O ATOM 56 CB LYS A 5 -42.835 -8.347 -0.987 1.00 0.00 C ATOM 57 CG LYS A 5 -43.267 -6.890 -0.997 1.00 0.00 C ATOM 58 CD LYS A 5 -42.319 -6.040 -0.168 1.00 0.00 C ATOM 59 CE LYS A 5 -42.704 -4.568 -0.193 1.00 0.00 C ATOM 60 NZ LYS A 5 -42.591 -3.980 -1.553 1.00 0.00 N1+ ATOM 0 H LYS A 5 -45.137 -9.135 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 5 -43.810 -8.893 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -42.822 -8.703 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -41.813 -8.413 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -43.292 -6.520 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -44.279 -6.804 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -42.318 -6.397 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -41.303 -6.156 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -43.727 -4.456 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -42.063 -4.015 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -42.680 -2.946 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -41.666 -4.225 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -43.348 -4.358 -2.158 1.00 0.00 H new ATOM 74 N LEU A 6 -43.826 -11.649 -2.422 1.00 0.00 N ATOM 75 CA LEU A 6 -43.287 -13.004 -2.569 1.00 0.00 C ATOM 76 C LEU A 6 -42.125 -13.005 -3.558 1.00 0.00 C ATOM 77 O LEU A 6 -41.027 -13.475 -3.250 1.00 0.00 O ATOM 78 CB LEU A 6 -44.367 -13.986 -3.051 1.00 0.00 C ATOM 79 CG LEU A 6 -43.888 -15.422 -3.280 1.00 0.00 C ATOM 80 CD1 LEU A 6 -43.553 -16.098 -1.959 1.00 0.00 C ATOM 81 CD2 LEU A 6 -44.926 -16.217 -4.046 1.00 0.00 C ATOM 0 H LEU A 6 -44.781 -11.531 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 6 -42.936 -13.328 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -45.174 -14.002 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -44.789 -13.608 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 6 -42.978 -15.386 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -43.215 -17.117 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -42.763 -15.541 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -44.441 -16.121 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -44.566 -17.234 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -45.856 -16.242 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -45.104 -15.747 -5.013 1.00 0.00 H new ATOM 93 N THR A 7 -42.376 -12.479 -4.738 1.00 0.00 N ATOM 94 CA THR A 7 -41.376 -12.420 -5.771 1.00 0.00 C ATOM 95 C THR A 7 -40.884 -10.974 -5.964 1.00 0.00 C ATOM 96 O THR A 7 -41.402 -10.053 -5.322 1.00 0.00 O ATOM 97 CB THR A 7 -41.942 -12.964 -7.093 1.00 0.00 C ATOM 98 OG1 THR A 7 -43.251 -12.413 -7.313 1.00 0.00 O ATOM 99 CG2 THR A 7 -42.032 -14.483 -7.054 1.00 0.00 C ATOM 0 H THR A 7 -43.278 -12.083 -5.003 1.00 0.00 H new ATOM 0 HA THR A 7 -40.531 -13.038 -5.467 1.00 0.00 H new ATOM 0 HB THR A 7 -41.275 -12.675 -7.905 1.00 0.00 H new ATOM 0 HG1 THR A 7 -43.189 -11.662 -7.940 1.00 0.00 H new ATOM 0 HG21 THR A 7 -42.435 -14.848 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 7 -41.038 -14.902 -6.897 1.00 0.00 H new ATOM 0 HG23 THR A 7 -42.687 -14.788 -6.238 1.00 0.00 H new ATOM 107 N ALA A 8 -39.908 -10.763 -6.857 1.00 0.00 N ATOM 108 CA ALA A 8 -39.367 -9.430 -7.076 1.00 0.00 C ATOM 109 C ALA A 8 -39.597 -8.982 -8.511 1.00 0.00 C ATOM 110 O ALA A 8 -38.942 -8.062 -9.004 1.00 0.00 O ATOM 111 CB ALA A 8 -37.885 -9.395 -6.731 1.00 0.00 C ATOM 0 H ALA A 8 -39.486 -11.494 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 8 -39.890 -8.735 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -37.496 -8.391 -6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -37.749 -9.665 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -37.348 -10.104 -7.361 1.00 0.00 H new ATOM 117 N ASP A 9 -40.559 -9.616 -9.167 1.00 0.00 N ATOM 118 CA ASP A 9 -40.892 -9.300 -10.554 1.00 0.00 C ATOM 119 C ASP A 9 -41.408 -7.869 -10.675 1.00 0.00 C ATOM 120 O ASP A 9 -41.211 -7.214 -11.701 1.00 0.00 O ATOM 121 CB ASP A 9 -41.929 -10.292 -11.105 1.00 0.00 C ATOM 122 CG ASP A 9 -43.253 -10.239 -10.366 1.00 0.00 C ATOM 123 OD1 ASP A 9 -43.267 -10.517 -9.149 1.00 0.00 O ATOM 124 OD2 ASP A 9 -44.286 -9.934 -11.002 1.00 0.00 O1- ATOM 0 H ASP A 9 -41.128 -10.358 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 9 -39.982 -9.388 -11.147 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -42.100 -10.081 -12.161 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -41.525 -11.303 -11.043 1.00 0.00 H new ATOM 129 N ALA A 10 -42.051 -7.381 -9.615 1.00 0.00 N ATOM 130 CA ALA A 10 -42.563 -6.011 -9.598 1.00 0.00 C ATOM 131 C ALA A 10 -41.418 -5.012 -9.452 1.00 0.00 C ATOM 132 O ALA A 10 -41.494 -3.887 -9.948 1.00 0.00 O ATOM 133 CB ALA A 10 -43.605 -5.815 -8.489 1.00 0.00 C ATOM 0 H ALA A 10 -42.229 -7.910 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 10 -43.060 -5.829 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -43.964 -4.786 -8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -44.442 -6.494 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -43.150 -6.025 -7.521 1.00 0.00 H new ATOM 139 N GLU A 11 -40.345 -5.438 -8.793 1.00 0.00 N ATOM 140 CA GLU A 11 -39.180 -4.589 -8.610 1.00 0.00 C ATOM 141 C GLU A 11 -38.427 -4.480 -9.922 1.00 0.00 C ATOM 142 O GLU A 11 -38.002 -3.395 -10.323 1.00 0.00 O ATOM 143 CB GLU A 11 -38.264 -5.150 -7.518 1.00 0.00 C ATOM 144 CG GLU A 11 -38.921 -5.253 -6.151 1.00 0.00 C ATOM 145 CD GLU A 11 -39.359 -3.907 -5.613 1.00 0.00 C ATOM 146 OE1 GLU A 11 -38.486 -3.048 -5.362 1.00 0.00 O ATOM 147 OE2 GLU A 11 -40.573 -3.699 -5.427 1.00 0.00 O1- ATOM 0 H GLU A 11 -40.261 -6.366 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 11 -39.510 -3.599 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -37.920 -6.139 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -37.381 -4.516 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -39.786 -5.913 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -38.223 -5.711 -5.450 1.00 0.00 H new ATOM 154 N LEU A 12 -38.283 -5.618 -10.596 1.00 0.00 N ATOM 155 CA LEU A 12 -37.633 -5.668 -11.899 1.00 0.00 C ATOM 156 C LEU A 12 -38.387 -4.808 -12.898 1.00 0.00 C ATOM 157 O LEU A 12 -37.786 -4.098 -13.690 1.00 0.00 O ATOM 158 CB LEU A 12 -37.559 -7.109 -12.411 1.00 0.00 C ATOM 159 CG LEU A 12 -36.704 -8.070 -11.583 1.00 0.00 C ATOM 160 CD1 LEU A 12 -36.851 -9.490 -12.102 1.00 0.00 C ATOM 161 CD2 LEU A 12 -35.242 -7.642 -11.614 1.00 0.00 C ATOM 0 H LEU A 12 -38.611 -6.522 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 12 -36.620 -5.282 -11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -38.572 -7.508 -12.463 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -37.170 -7.093 -13.429 1.00 0.00 H new ATOM 0 HG LEU A 12 -37.051 -8.041 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -36.237 -10.162 -11.503 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -37.895 -9.796 -12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -36.527 -9.533 -13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -34.647 -8.336 -11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -34.884 -7.646 -12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -35.148 -6.638 -11.201 1.00 0.00 H new ATOM 173 N GLN A 13 -39.714 -4.872 -12.834 1.00 0.00 N ATOM 174 CA GLN A 13 -40.577 -4.088 -13.726 1.00 0.00 C ATOM 175 C GLN A 13 -40.296 -2.595 -13.570 1.00 0.00 C ATOM 176 O GLN A 13 -40.236 -1.852 -14.557 1.00 0.00 O ATOM 177 CB GLN A 13 -42.059 -4.368 -13.431 1.00 0.00 C ATOM 178 CG GLN A 13 -43.018 -3.595 -14.316 1.00 0.00 C ATOM 179 CD GLN A 13 -44.460 -3.785 -13.905 1.00 0.00 C ATOM 180 OE1 GLN A 13 -44.838 -4.834 -13.384 1.00 0.00 O ATOM 181 NE2 GLN A 13 -45.271 -2.770 -14.113 1.00 0.00 N ATOM 0 H GLN A 13 -40.221 -5.460 -12.172 1.00 0.00 H new ATOM 0 HA GLN A 13 -40.358 -4.385 -14.752 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -42.248 -5.435 -13.552 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -42.264 -4.124 -12.389 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -42.769 -2.535 -14.278 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -42.892 -3.915 -15.350 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -44.919 -1.917 -14.548 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -46.251 -2.836 -13.839 1.00 0.00 H new ATOM 190 N ARG A 14 -40.112 -2.171 -12.333 1.00 0.00 N ATOM 191 CA ARG A 14 -39.844 -0.768 -12.036 1.00 0.00 C ATOM 192 C ARG A 14 -38.455 -0.384 -12.534 1.00 0.00 C ATOM 193 O ARG A 14 -38.291 0.612 -13.230 1.00 0.00 O ATOM 194 CB ARG A 14 -39.960 -0.495 -10.532 1.00 0.00 C ATOM 195 CG ARG A 14 -40.055 0.979 -10.172 1.00 0.00 C ATOM 196 CD ARG A 14 -40.059 1.170 -8.663 1.00 0.00 C ATOM 197 NE ARG A 14 -40.992 0.255 -8.001 1.00 0.00 N ATOM 198 CZ ARG A 14 -40.624 -0.709 -7.145 1.00 0.00 C ATOM 199 NH1 ARG A 14 -39.344 -0.839 -6.783 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -41.533 -1.537 -6.648 1.00 0.00 N ATOM 0 H ARG A 14 -40.143 -2.777 -11.513 1.00 0.00 H new ATOM 0 HA ARG A 14 -40.588 -0.161 -12.551 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.841 -1.009 -10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -39.095 -0.926 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -39.215 1.519 -10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.964 1.404 -10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -39.054 1.009 -8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -40.331 2.199 -8.428 1.00 0.00 H new ATOM 0 HE ARG A 14 -41.986 0.358 -8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -38.641 -0.203 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -39.070 -1.574 -6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -42.512 -1.440 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -41.253 -2.270 -5.997 1.00 0.00 H new ATOM 214 N LEU A 15 -37.461 -1.204 -12.197 1.00 0.00 N ATOM 215 CA LEU A 15 -36.075 -0.955 -12.609 1.00 0.00 C ATOM 216 C LEU A 15 -35.938 -1.012 -14.130 1.00 0.00 C ATOM 217 O LEU A 15 -35.025 -0.419 -14.705 1.00 0.00 O ATOM 218 CB LEU A 15 -35.125 -1.965 -11.948 1.00 0.00 C ATOM 219 CG LEU A 15 -35.077 -1.924 -10.419 1.00 0.00 C ATOM 220 CD1 LEU A 15 -34.230 -3.063 -9.880 1.00 0.00 C ATOM 221 CD2 LEU A 15 -34.537 -0.584 -9.937 1.00 0.00 C ATOM 0 H LEU A 15 -37.587 -2.048 -11.639 1.00 0.00 H new ATOM 0 HA LEU A 15 -35.801 0.047 -12.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -35.417 -2.968 -12.258 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -34.119 -1.794 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 15 -36.093 -2.043 -10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -34.208 -3.017 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -34.658 -4.015 -10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -33.215 -2.976 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -34.510 -0.573 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -33.530 -0.436 -10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -35.184 0.218 -10.292 1.00 0.00 H new ATOM 233 N LYS A 16 -36.852 -1.725 -14.766 1.00 0.00 N ATOM 234 CA LYS A 16 -36.891 -1.849 -16.214 1.00 0.00 C ATOM 235 C LYS A 16 -37.377 -0.544 -16.839 1.00 0.00 C ATOM 236 O LYS A 16 -37.011 -0.202 -17.962 1.00 0.00 O ATOM 237 CB LYS A 16 -37.820 -3.006 -16.592 1.00 0.00 C ATOM 238 CG LYS A 16 -38.049 -3.198 -18.079 1.00 0.00 C ATOM 239 CD LYS A 16 -39.013 -4.343 -18.314 1.00 0.00 C ATOM 240 CE LYS A 16 -39.383 -4.487 -19.776 1.00 0.00 C ATOM 241 NZ LYS A 16 -40.327 -5.611 -19.983 1.00 0.00 N1+ ATOM 0 H LYS A 16 -37.593 -2.238 -14.289 1.00 0.00 H new ATOM 0 HA LYS A 16 -35.890 -2.055 -16.593 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -37.408 -3.929 -16.183 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -38.785 -2.847 -16.111 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -38.447 -2.282 -18.515 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -37.101 -3.402 -18.577 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -38.565 -5.272 -17.961 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -39.917 -4.182 -17.726 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -39.833 -3.561 -20.133 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -38.482 -4.652 -20.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -40.562 -5.685 -20.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -39.887 -6.497 -19.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -41.195 -5.440 -19.437 1.00 0.00 H new ATOM 255 N ASN A 17 -38.190 0.184 -16.093 1.00 0.00 N ATOM 256 CA ASN A 17 -38.721 1.464 -16.558 1.00 0.00 C ATOM 257 C ASN A 17 -37.793 2.612 -16.164 1.00 0.00 C ATOM 258 O ASN A 17 -37.670 3.599 -16.889 1.00 0.00 O ATOM 259 CB ASN A 17 -40.155 1.705 -16.020 1.00 0.00 C ATOM 260 CG ASN A 17 -40.661 3.111 -16.297 1.00 0.00 C ATOM 261 OD1 ASN A 17 -41.184 3.394 -17.375 1.00 0.00 O ATOM 262 ND2 ASN A 17 -40.535 3.991 -15.318 1.00 0.00 N ATOM 0 H ASN A 17 -38.500 -0.086 -15.160 1.00 0.00 H new ATOM 0 HA ASN A 17 -38.775 1.427 -17.646 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -40.834 0.984 -16.474 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -40.170 1.524 -14.945 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -40.877 4.944 -15.442 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -40.095 3.717 -14.439 1.00 0.00 H new ATOM 269 N GLU A 18 -37.137 2.473 -15.020 1.00 0.00 N ATOM 270 CA GLU A 18 -36.233 3.503 -14.535 1.00 0.00 C ATOM 271 C GLU A 18 -34.902 3.441 -15.270 1.00 0.00 C ATOM 272 O GLU A 18 -34.546 4.362 -16.003 1.00 0.00 O ATOM 273 CB GLU A 18 -36.008 3.360 -13.025 1.00 0.00 C ATOM 274 CG GLU A 18 -37.286 3.390 -12.207 1.00 0.00 C ATOM 275 CD GLU A 18 -37.024 3.416 -10.720 1.00 0.00 C ATOM 276 OE1 GLU A 18 -36.585 2.388 -10.164 1.00 0.00 O ATOM 277 OE2 GLU A 18 -37.265 4.468 -10.095 1.00 0.00 O1- ATOM 0 H GLU A 18 -37.215 1.658 -14.412 1.00 0.00 H new ATOM 0 HA GLU A 18 -36.693 4.472 -14.728 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -35.487 2.422 -12.832 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -35.353 4.163 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -37.870 4.268 -12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -37.889 2.515 -12.451 1.00 0.00 H new ATOM 284 N ARG A 19 -34.169 2.338 -15.059 1.00 0.00 N ATOM 285 CA ARG A 19 -32.858 2.114 -15.693 1.00 0.00 C ATOM 286 C ARG A 19 -31.865 3.221 -15.325 1.00 0.00 C ATOM 287 O ARG A 19 -30.870 3.429 -16.011 1.00 0.00 O ATOM 288 CB ARG A 19 -33.005 2.027 -17.220 1.00 0.00 C ATOM 289 CG ARG A 19 -33.979 0.957 -17.683 1.00 0.00 C ATOM 290 CD ARG A 19 -34.154 0.975 -19.193 1.00 0.00 C ATOM 291 NE ARG A 19 -34.574 2.292 -19.686 1.00 0.00 N ATOM 292 CZ ARG A 19 -35.801 2.581 -20.137 1.00 0.00 C ATOM 293 NH1 ARG A 19 -36.762 1.667 -20.102 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 -36.061 3.792 -20.617 1.00 0.00 N ATOM 0 H ARG A 19 -34.465 1.578 -14.447 1.00 0.00 H new ATOM 0 HA ARG A 19 -32.468 1.167 -15.319 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -33.335 2.994 -17.599 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -32.027 1.829 -17.659 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -33.620 -0.023 -17.369 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -34.945 1.111 -17.202 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -33.215 0.693 -19.669 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -34.894 0.228 -19.480 1.00 0.00 H new ATOM 0 HE ARG A 19 -33.881 3.041 -19.685 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -36.568 0.737 -19.730 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -37.695 1.894 -20.447 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -35.327 4.499 -20.641 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -36.995 4.014 -20.961 1.00 0.00 H new ATOM 308 N HIS A 20 -32.119 3.898 -14.218 1.00 0.00 N ATOM 309 CA HIS A 20 -31.284 5.029 -13.803 1.00 0.00 C ATOM 310 C HIS A 20 -30.045 4.584 -13.037 1.00 0.00 C ATOM 311 O HIS A 20 -29.238 5.417 -12.633 1.00 0.00 O ATOM 312 CB HIS A 20 -32.092 6.029 -12.968 1.00 0.00 C ATOM 313 CG HIS A 20 -33.213 6.675 -13.718 1.00 0.00 C ATOM 314 ND1 HIS A 20 -34.540 6.402 -13.474 1.00 0.00 N ATOM 315 CD2 HIS A 20 -33.198 7.592 -14.711 1.00 0.00 C ATOM 316 CE1 HIS A 20 -35.291 7.123 -14.286 1.00 0.00 C ATOM 317 NE2 HIS A 20 -34.502 7.853 -15.044 1.00 0.00 N ATOM 0 H HIS A 20 -32.893 3.690 -13.587 1.00 0.00 H new ATOM 0 HA HIS A 20 -30.946 5.520 -14.715 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -32.499 5.516 -12.097 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -31.421 6.804 -12.597 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -32.322 8.036 -15.159 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -36.370 7.115 -14.322 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -34.810 8.507 -15.763 1.00 0.00 H new ATOM 325 N GLU A 21 -29.886 3.273 -12.859 1.00 0.00 N ATOM 326 CA GLU A 21 -28.731 2.730 -12.138 1.00 0.00 C ATOM 327 C GLU A 21 -27.426 3.215 -12.761 1.00 0.00 C ATOM 328 O GLU A 21 -26.600 3.847 -12.096 1.00 0.00 O ATOM 329 CB GLU A 21 -28.751 1.203 -12.152 1.00 0.00 C ATOM 330 CG GLU A 21 -29.947 0.578 -11.464 1.00 0.00 C ATOM 331 CD GLU A 21 -29.886 -0.933 -11.497 1.00 0.00 C ATOM 332 OE1 GLU A 21 -30.342 -1.526 -12.496 1.00 0.00 O ATOM 333 OE2 GLU A 21 -29.357 -1.535 -10.537 1.00 0.00 O1- ATOM 0 H GLU A 21 -30.539 2.568 -13.202 1.00 0.00 H new ATOM 0 HA GLU A 21 -28.793 3.083 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -28.726 0.863 -13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -27.842 0.837 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.990 0.918 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -30.863 0.916 -11.949 1.00 0.00 H new ATOM 340 N GLU A 22 -27.264 2.936 -14.047 1.00 0.00 N ATOM 341 CA GLU A 22 -26.055 3.299 -14.773 1.00 0.00 C ATOM 342 C GLU A 22 -25.938 4.815 -14.935 1.00 0.00 C ATOM 343 O GLU A 22 -24.836 5.346 -15.078 1.00 0.00 O ATOM 344 CB GLU A 22 -26.034 2.617 -16.139 1.00 0.00 C ATOM 345 CG GLU A 22 -26.143 1.106 -16.071 1.00 0.00 C ATOM 346 CD GLU A 22 -26.243 0.477 -17.439 1.00 0.00 C ATOM 347 OE1 GLU A 22 -25.190 0.228 -18.063 1.00 0.00 O ATOM 348 OE2 GLU A 22 -27.375 0.234 -17.900 1.00 0.00 O1- ATOM 0 H GLU A 22 -27.962 2.455 -14.614 1.00 0.00 H new ATOM 0 HA GLU A 22 -25.199 2.957 -14.192 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -26.856 3.004 -16.741 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -25.110 2.882 -16.653 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -25.273 0.704 -15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -27.019 0.833 -15.483 1.00 0.00 H new ATOM 355 N ALA A 23 -27.073 5.508 -14.888 1.00 0.00 N ATOM 356 CA ALA A 23 -27.077 6.965 -15.019 1.00 0.00 C ATOM 357 C ALA A 23 -26.446 7.603 -13.788 1.00 0.00 C ATOM 358 O ALA A 23 -25.817 8.658 -13.873 1.00 0.00 O ATOM 359 CB ALA A 23 -28.494 7.508 -15.263 1.00 0.00 C ATOM 0 H ALA A 23 -27.995 5.090 -14.761 1.00 0.00 H new ATOM 0 HA ALA A 23 -26.480 7.230 -15.892 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -28.457 8.593 -15.355 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -28.895 7.079 -16.182 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -29.137 7.237 -14.426 1.00 0.00 H new ATOM 365 N GLU A 24 -26.596 6.942 -12.644 1.00 0.00 N ATOM 366 CA GLU A 24 -25.993 7.419 -11.420 1.00 0.00 C ATOM 367 C GLU A 24 -24.538 7.011 -11.392 1.00 0.00 C ATOM 368 O GLU A 24 -23.673 7.773 -10.963 1.00 0.00 O ATOM 369 CB GLU A 24 -26.706 6.849 -10.195 1.00 0.00 C ATOM 370 CG GLU A 24 -28.191 7.143 -10.146 1.00 0.00 C ATOM 371 CD GLU A 24 -28.824 6.675 -8.857 1.00 0.00 C ATOM 372 OE1 GLU A 24 -28.993 5.449 -8.677 1.00 0.00 O ATOM 373 OE2 GLU A 24 -29.159 7.528 -8.016 1.00 0.00 O1- ATOM 0 H GLU A 24 -27.129 6.078 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 24 -26.081 8.505 -11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -26.560 5.769 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -26.238 7.251 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -28.351 8.215 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -28.684 6.657 -10.988 1.00 0.00 H new ATOM 380 N LEU A 25 -24.272 5.802 -11.877 1.00 0.00 N ATOM 381 CA LEU A 25 -22.924 5.268 -11.900 1.00 0.00 C ATOM 382 C LEU A 25 -22.010 6.113 -12.775 1.00 0.00 C ATOM 383 O LEU A 25 -20.854 6.306 -12.440 1.00 0.00 O ATOM 384 CB LEU A 25 -22.911 3.797 -12.356 1.00 0.00 C ATOM 385 CG LEU A 25 -23.712 2.829 -11.489 1.00 0.00 C ATOM 386 CD1 LEU A 25 -23.636 1.424 -12.054 1.00 0.00 C ATOM 387 CD2 LEU A 25 -23.214 2.855 -10.051 1.00 0.00 C ATOM 0 H LEU A 25 -24.979 5.175 -12.260 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.542 5.306 -10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -23.296 3.748 -13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -21.877 3.455 -12.390 1.00 0.00 H new ATOM 0 HG LEU A 25 -24.754 3.147 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -24.212 0.747 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -24.045 1.416 -13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.596 1.098 -12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -23.799 2.158 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -22.164 2.564 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -23.322 3.861 -9.647 1.00 0.00 H new ATOM 399 N GLU A 26 -22.541 6.647 -13.877 1.00 0.00 N ATOM 400 CA GLU A 26 -21.737 7.478 -14.774 1.00 0.00 C ATOM 401 C GLU A 26 -21.218 8.701 -14.035 1.00 0.00 C ATOM 402 O GLU A 26 -20.056 9.083 -14.180 1.00 0.00 O ATOM 403 CB GLU A 26 -22.534 7.905 -16.017 1.00 0.00 C ATOM 404 CG GLU A 26 -21.768 8.839 -16.940 1.00 0.00 C ATOM 405 CD GLU A 26 -22.508 9.125 -18.220 1.00 0.00 C ATOM 406 OE1 GLU A 26 -21.974 8.803 -19.303 1.00 0.00 O ATOM 407 OE2 GLU A 26 -23.637 9.646 -18.158 1.00 0.00 O1- ATOM 0 H GLU A 26 -23.511 6.521 -14.167 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.891 6.879 -15.112 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.825 7.015 -16.575 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -23.453 8.396 -15.698 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -21.572 9.777 -16.421 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -20.800 8.397 -17.176 1.00 0.00 H new ATOM 414 N ARG A 27 -22.079 9.293 -13.221 1.00 0.00 N ATOM 415 CA ARG A 27 -21.710 10.457 -12.430 1.00 0.00 C ATOM 416 C ARG A 27 -20.636 10.084 -11.417 1.00 0.00 C ATOM 417 O ARG A 27 -19.685 10.827 -11.203 1.00 0.00 O ATOM 418 CB ARG A 27 -22.935 11.025 -11.705 1.00 0.00 C ATOM 419 CG ARG A 27 -24.056 11.465 -12.635 1.00 0.00 C ATOM 420 CD ARG A 27 -25.271 11.944 -11.854 1.00 0.00 C ATOM 421 NE ARG A 27 -26.354 12.370 -12.741 1.00 0.00 N ATOM 422 CZ ARG A 27 -27.628 12.534 -12.370 1.00 0.00 C ATOM 423 NH1 ARG A 27 -28.000 12.311 -11.109 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -28.526 12.921 -13.263 1.00 0.00 N ATOM 0 H ARG A 27 -23.042 8.985 -13.091 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.317 11.220 -13.102 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.321 10.271 -11.019 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -22.624 11.876 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -23.700 12.266 -13.283 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -24.341 10.635 -13.281 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.626 11.142 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -24.984 12.773 -11.207 1.00 0.00 H new ATOM 0 HE ARG A 27 -26.119 12.556 -13.716 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -27.310 12.013 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.974 12.439 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -28.244 13.092 -14.228 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -29.499 13.048 -12.986 1.00 0.00 H new ATOM 438 N LEU A 28 -20.779 8.907 -10.822 1.00 0.00 N ATOM 439 CA LEU A 28 -19.841 8.438 -9.810 1.00 0.00 C ATOM 440 C LEU A 28 -18.504 8.026 -10.438 1.00 0.00 C ATOM 441 O LEU A 28 -17.454 8.118 -9.804 1.00 0.00 O ATOM 442 CB LEU A 28 -20.441 7.261 -9.020 1.00 0.00 C ATOM 443 CG LEU A 28 -21.849 7.479 -8.454 1.00 0.00 C ATOM 444 CD1 LEU A 28 -22.308 6.256 -7.678 1.00 0.00 C ATOM 445 CD2 LEU A 28 -21.897 8.721 -7.577 1.00 0.00 C ATOM 0 H LEU A 28 -21.539 8.257 -11.024 1.00 0.00 H new ATOM 0 HA LEU A 28 -19.653 9.264 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -20.464 6.387 -9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.771 7.025 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 28 -22.531 7.631 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -23.309 6.430 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -22.324 5.390 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.621 6.070 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -22.907 8.853 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -21.200 8.607 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -21.619 9.594 -8.167 1.00 0.00 H new ATOM 457 N LYS A 29 -18.546 7.583 -11.686 1.00 0.00 N ATOM 458 CA LYS A 29 -17.337 7.151 -12.374 1.00 0.00 C ATOM 459 C LYS A 29 -16.590 8.342 -12.960 1.00 0.00 C ATOM 460 O LYS A 29 -15.368 8.301 -13.113 1.00 0.00 O ATOM 461 CB LYS A 29 -17.662 6.131 -13.480 1.00 0.00 C ATOM 462 CG LYS A 29 -18.321 4.848 -12.982 1.00 0.00 C ATOM 463 CD LYS A 29 -17.378 4.013 -12.132 1.00 0.00 C ATOM 464 CE LYS A 29 -18.042 2.714 -11.688 1.00 0.00 C ATOM 465 NZ LYS A 29 -17.083 1.796 -11.021 1.00 0.00 N1+ ATOM 0 H LYS A 29 -19.399 7.513 -12.241 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.695 6.666 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.320 6.603 -14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.740 5.873 -14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.207 5.099 -12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.657 4.259 -13.835 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.475 3.788 -12.700 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.070 4.585 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.861 2.941 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.478 2.216 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.576 0.926 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.315 1.558 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.686 2.261 -10.180 1.00 0.00 H new ATOM 479 N SER A 30 -17.323 9.401 -13.276 1.00 0.00 N ATOM 480 CA SER A 30 -16.725 10.588 -13.856 1.00 0.00 C ATOM 481 C SER A 30 -16.271 11.565 -12.770 1.00 0.00 C ATOM 482 O SER A 30 -15.313 12.311 -12.961 1.00 0.00 O ATOM 483 CB SER A 30 -17.708 11.266 -14.818 1.00 0.00 C ATOM 484 OG SER A 30 -18.199 10.335 -15.772 1.00 0.00 O ATOM 0 H SER A 30 -18.332 9.459 -13.139 1.00 0.00 H new ATOM 0 HA SER A 30 -15.843 10.282 -14.419 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.540 11.691 -14.256 1.00 0.00 H new ATOM 0 HB3 SER A 30 -17.213 12.092 -15.329 1.00 0.00 H new ATOM 0 HG SER A 30 -18.896 9.782 -15.361 1.00 0.00 H new ATOM 490 N GLU A 31 -16.945 11.542 -11.627 1.00 0.00 N ATOM 491 CA GLU A 31 -16.602 12.430 -10.542 1.00 0.00 C ATOM 492 C GLU A 31 -16.499 11.652 -9.210 1.00 0.00 C ATOM 493 O GLU A 31 -17.465 11.003 -8.800 1.00 0.00 O ATOM 494 CB GLU A 31 -17.663 13.523 -10.394 1.00 0.00 C ATOM 495 CG GLU A 31 -17.378 14.492 -9.255 1.00 0.00 C ATOM 496 CD GLU A 31 -18.463 15.522 -9.079 1.00 0.00 C ATOM 497 OE1 GLU A 31 -18.515 16.480 -9.872 1.00 0.00 O ATOM 498 OE2 GLU A 31 -19.272 15.387 -8.142 1.00 0.00 O1- ATOM 0 H GLU A 31 -17.728 10.918 -11.435 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.637 12.881 -10.773 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.731 14.081 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.634 13.056 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.262 13.931 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.431 14.997 -9.443 1.00 0.00 H new ATOM 505 N ARG A 32 -15.348 11.709 -8.528 1.00 0.00 N ATOM 506 CA ARG A 32 -15.216 11.069 -7.250 1.00 0.00 C ATOM 507 C ARG A 32 -15.606 12.069 -6.146 1.00 0.00 C ATOM 508 O ARG A 32 -14.740 12.609 -5.462 1.00 0.00 O ATOM 509 CB ARG A 32 -13.780 10.586 -7.057 1.00 0.00 C ATOM 510 CG ARG A 32 -13.338 9.609 -8.132 1.00 0.00 C ATOM 511 CD ARG A 32 -11.915 9.143 -7.920 1.00 0.00 C ATOM 512 NE ARG A 32 -11.468 8.270 -9.005 1.00 0.00 N ATOM 513 CZ ARG A 32 -10.274 7.687 -9.052 1.00 0.00 C ATOM 514 NH1 ARG A 32 -9.407 7.861 -8.064 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -9.949 6.926 -10.087 1.00 0.00 N ATOM 0 H ARG A 32 -14.511 12.193 -8.852 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.877 10.204 -7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.110 11.445 -7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.690 10.110 -6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.005 8.747 -8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.423 10.083 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.255 10.007 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.843 8.611 -6.971 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.114 8.097 -9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.655 8.444 -7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.492 7.412 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.615 6.788 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.033 6.479 -10.123 1.00 0.00 H new ATOM 529 N HIS A 33 -16.931 12.359 -6.026 1.00 0.00 N ATOM 530 CA HIS A 33 -17.457 13.316 -5.033 1.00 0.00 C ATOM 531 C HIS A 33 -17.007 12.992 -3.598 1.00 0.00 C ATOM 532 O HIS A 33 -17.086 13.844 -2.709 1.00 0.00 O ATOM 533 CB HIS A 33 -18.992 13.389 -5.115 1.00 0.00 C ATOM 534 CG HIS A 33 -19.707 12.113 -4.768 1.00 0.00 C ATOM 535 ND1 HIS A 33 -20.371 11.926 -3.575 1.00 0.00 N ATOM 536 CD2 HIS A 33 -19.875 10.967 -5.471 1.00 0.00 C ATOM 537 CE1 HIS A 33 -20.917 10.720 -3.562 1.00 0.00 C ATOM 538 NE2 HIS A 33 -20.630 10.122 -4.696 1.00 0.00 N ATOM 0 H HIS A 33 -17.651 11.937 -6.612 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.038 14.291 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.340 14.176 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.273 13.682 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -20.432 12.610 -2.820 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -19.487 10.757 -6.457 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.500 10.299 -2.756 1.00 0.00 H new ATOM 546 N ASP A 34 -16.577 11.753 -3.390 1.00 0.00 N ATOM 547 CA ASP A 34 -16.021 11.289 -2.112 1.00 0.00 C ATOM 548 C ASP A 34 -16.999 11.481 -0.947 1.00 0.00 C ATOM 549 O ASP A 34 -16.588 11.757 0.177 1.00 0.00 O ATOM 550 CB ASP A 34 -14.688 11.998 -1.824 1.00 0.00 C ATOM 551 CG ASP A 34 -13.795 11.205 -0.888 1.00 0.00 C ATOM 552 OD1 ASP A 34 -13.076 10.305 -1.373 1.00 0.00 O ATOM 553 OD2 ASP A 34 -13.801 11.478 0.332 1.00 0.00 O1- ATOM 0 H ASP A 34 -16.602 11.029 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.844 10.217 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.162 12.170 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.888 12.976 -1.387 1.00 0.00 H new ATOM 558 N HIS A 35 -18.298 11.345 -1.235 1.00 0.00 N ATOM 559 CA HIS A 35 -19.364 11.410 -0.210 1.00 0.00 C ATOM 560 C HIS A 35 -19.631 12.844 0.305 1.00 0.00 C ATOM 561 O HIS A 35 -20.783 13.203 0.558 1.00 0.00 O ATOM 562 CB HIS A 35 -19.047 10.444 0.960 1.00 0.00 C ATOM 563 CG HIS A 35 -20.030 10.474 2.094 1.00 0.00 C ATOM 564 ND1 HIS A 35 -19.666 10.763 3.387 1.00 0.00 N ATOM 565 CD2 HIS A 35 -21.361 10.231 2.127 1.00 0.00 C ATOM 566 CE1 HIS A 35 -20.727 10.698 4.167 1.00 0.00 C ATOM 567 NE2 HIS A 35 -21.771 10.380 3.429 1.00 0.00 N ATOM 0 H HIS A 35 -18.647 11.187 -2.180 1.00 0.00 H new ATOM 0 HA HIS A 35 -20.287 11.091 -0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -18.998 9.428 0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.058 10.683 1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -21.985 9.969 1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -20.738 10.876 5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -22.726 10.264 3.769 1.00 0.00 H new ATOM 575 N ASP A 36 -18.580 13.649 0.434 1.00 0.00 N ATOM 576 CA ASP A 36 -18.699 15.023 0.972 1.00 0.00 C ATOM 577 C ASP A 36 -19.727 15.861 0.229 1.00 0.00 C ATOM 578 O ASP A 36 -20.581 16.497 0.853 1.00 0.00 O ATOM 579 CB ASP A 36 -17.353 15.749 0.970 1.00 0.00 C ATOM 580 CG ASP A 36 -16.380 15.177 1.969 1.00 0.00 C ATOM 581 OD1 ASP A 36 -16.740 15.066 3.163 1.00 0.00 O ATOM 582 OD2 ASP A 36 -15.243 14.848 1.572 1.00 0.00 O1- ATOM 0 H ASP A 36 -17.630 13.383 0.176 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.041 14.905 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.917 15.694 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.514 16.804 1.190 1.00 0.00 H new ATOM 587 N LYS A 37 -19.650 15.867 -1.097 1.00 0.00 N ATOM 588 CA LYS A 37 -20.582 16.658 -1.902 1.00 0.00 C ATOM 589 C LYS A 37 -22.018 16.217 -1.690 1.00 0.00 C ATOM 590 O LYS A 37 -22.925 17.042 -1.683 1.00 0.00 O ATOM 591 CB LYS A 37 -20.253 16.576 -3.385 1.00 0.00 C ATOM 592 CG LYS A 37 -18.947 17.240 -3.782 1.00 0.00 C ATOM 593 CD LYS A 37 -18.757 17.222 -5.296 1.00 0.00 C ATOM 594 CE LYS A 37 -19.905 17.930 -6.015 1.00 0.00 C ATOM 595 NZ LYS A 37 -19.703 17.969 -7.483 1.00 0.00 N1+ ATOM 0 H LYS A 37 -18.962 15.341 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.473 17.690 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -20.215 15.527 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -21.065 17.035 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.936 18.269 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.114 16.726 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.814 17.706 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.690 16.191 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.842 17.420 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.998 18.947 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.329 18.687 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.713 18.210 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.925 17.038 -7.889 1.00 0.00 H new ATOM 609 N LYS A 38 -22.217 14.920 -1.507 1.00 0.00 N ATOM 610 CA LYS A 38 -23.562 14.376 -1.329 1.00 0.00 C ATOM 611 C LYS A 38 -24.172 14.863 -0.020 1.00 0.00 C ATOM 612 O LYS A 38 -25.365 15.167 0.049 1.00 0.00 O ATOM 613 CB LYS A 38 -23.563 12.840 -1.394 1.00 0.00 C ATOM 614 CG LYS A 38 -24.953 12.229 -1.347 1.00 0.00 C ATOM 615 CD LYS A 38 -24.918 10.743 -1.655 1.00 0.00 C ATOM 616 CE LYS A 38 -26.316 10.141 -1.639 1.00 0.00 C ATOM 617 NZ LYS A 38 -27.235 10.838 -2.572 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.471 14.225 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 38 -24.177 14.740 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.067 12.523 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.975 12.449 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.388 12.387 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -25.599 12.735 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.462 10.583 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -24.292 10.233 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -26.259 9.086 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -26.720 10.191 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -28.068 10.241 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -27.538 11.740 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -26.744 11.022 -3.470 1.00 0.00 H new ATOM 631 N GLU A 39 -23.348 14.959 1.013 1.00 0.00 N ATOM 632 CA GLU A 39 -23.817 15.461 2.295 1.00 0.00 C ATOM 633 C GLU A 39 -24.132 16.945 2.200 1.00 0.00 C ATOM 634 O GLU A 39 -25.015 17.447 2.893 1.00 0.00 O ATOM 635 CB GLU A 39 -22.800 15.194 3.412 1.00 0.00 C ATOM 636 CG GLU A 39 -22.607 13.722 3.725 1.00 0.00 C ATOM 637 CD GLU A 39 -23.903 13.020 4.102 1.00 0.00 C ATOM 638 OE1 GLU A 39 -23.950 11.778 4.026 1.00 0.00 O ATOM 639 OE2 GLU A 39 -24.880 13.705 4.471 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.362 14.699 0.990 1.00 0.00 H new ATOM 0 HA GLU A 39 -24.731 14.924 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -21.840 15.624 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.124 15.709 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -22.170 13.226 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -21.894 13.621 4.543 1.00 0.00 H new ATOM 646 N ALA A 40 -23.432 17.637 1.304 1.00 0.00 N ATOM 647 CA ALA A 40 -23.654 19.065 1.101 1.00 0.00 C ATOM 648 C ALA A 40 -24.969 19.296 0.368 1.00 0.00 C ATOM 649 O ALA A 40 -25.572 20.364 0.472 1.00 0.00 O ATOM 650 CB ALA A 40 -22.490 19.710 0.343 1.00 0.00 C ATOM 0 H ALA A 40 -22.709 17.233 0.709 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.711 19.540 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -22.688 20.773 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -21.569 19.581 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -22.383 19.235 -0.632 1.00 0.00 H new ATOM 656 N GLU A 41 -25.416 18.283 -0.368 1.00 0.00 N ATOM 657 CA GLU A 41 -26.675 18.367 -1.086 1.00 0.00 C ATOM 658 C GLU A 41 -27.831 18.299 -0.105 1.00 0.00 C ATOM 659 O GLU A 41 -28.686 19.185 -0.071 1.00 0.00 O ATOM 660 CB GLU A 41 -26.797 17.233 -2.112 1.00 0.00 C ATOM 661 CG GLU A 41 -25.653 17.173 -3.110 1.00 0.00 C ATOM 662 CD GLU A 41 -25.835 16.090 -4.154 1.00 0.00 C ATOM 663 OE1 GLU A 41 -25.443 16.315 -5.319 1.00 0.00 O ATOM 664 OE2 GLU A 41 -26.385 15.013 -3.821 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.923 17.397 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 41 -26.704 19.317 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.852 16.282 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -27.734 17.349 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -25.561 18.138 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.719 17.001 -2.574 1.00 0.00 H new ATOM 671 N ARG A 42 -27.831 17.256 0.716 1.00 0.00 N ATOM 672 CA ARG A 42 -28.895 17.048 1.696 1.00 0.00 C ATOM 673 C ARG A 42 -28.886 18.123 2.776 1.00 0.00 C ATOM 674 O ARG A 42 -29.936 18.671 3.121 1.00 0.00 O ATOM 675 CB ARG A 42 -28.794 15.653 2.331 1.00 0.00 C ATOM 676 CG ARG A 42 -29.050 14.526 1.348 1.00 0.00 C ATOM 677 CD ARG A 42 -29.101 13.171 2.032 1.00 0.00 C ATOM 678 NE ARG A 42 -27.780 12.685 2.442 1.00 0.00 N ATOM 679 CZ ARG A 42 -27.304 11.471 2.133 1.00 0.00 C ATOM 680 NH1 ARG A 42 -28.006 10.658 1.340 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -26.125 11.074 2.600 1.00 0.00 N ATOM 0 H ARG A 42 -27.106 16.539 0.724 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.842 17.120 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.801 15.530 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -29.510 15.581 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.992 14.705 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -28.265 14.520 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -29.746 13.237 2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -29.555 12.446 1.356 1.00 0.00 H new ATOM 0 HE ARG A 42 -27.189 13.307 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -28.906 10.961 0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -27.642 9.734 1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -25.578 11.694 3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -25.767 10.149 2.362 1.00 0.00 H new ATOM 695 N LYS A 43 -27.702 18.440 3.286 1.00 0.00 N ATOM 696 CA LYS A 43 -27.576 19.435 4.351 1.00 0.00 C ATOM 697 C LYS A 43 -28.084 20.810 3.908 1.00 0.00 C ATOM 698 O LYS A 43 -28.822 21.459 4.636 1.00 0.00 O ATOM 699 CB LYS A 43 -26.119 19.521 4.885 1.00 0.00 C ATOM 700 CG LYS A 43 -25.899 20.596 5.938 1.00 0.00 C ATOM 701 CD LYS A 43 -24.450 20.621 6.400 1.00 0.00 C ATOM 702 CE LYS A 43 -24.208 21.698 7.444 1.00 0.00 C ATOM 703 NZ LYS A 43 -24.419 23.063 6.901 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.819 18.027 2.984 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.210 19.102 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.842 18.555 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -25.448 19.708 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.171 21.570 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.553 20.413 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.184 19.648 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.798 20.793 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.876 21.538 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -23.189 21.613 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.067 23.766 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.904 23.163 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -25.434 23.218 6.737 1.00 0.00 H new ATOM 717 N ALA A 44 -27.736 21.230 2.694 1.00 0.00 N ATOM 718 CA ALA A 44 -28.130 22.550 2.219 1.00 0.00 C ATOM 719 C ALA A 44 -29.584 22.575 1.762 1.00 0.00 C ATOM 720 O ALA A 44 -30.243 23.612 1.826 1.00 0.00 O ATOM 721 CB ALA A 44 -27.208 23.021 1.102 1.00 0.00 C ATOM 0 H ALA A 44 -27.189 20.682 2.030 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.037 23.239 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.522 24.008 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.184 23.073 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -27.257 22.319 0.269 1.00 0.00 H new ATOM 727 N LEU A 45 -30.096 21.431 1.327 1.00 0.00 N ATOM 728 CA LEU A 45 -31.467 21.370 0.829 1.00 0.00 C ATOM 729 C LEU A 45 -32.474 21.453 1.975 1.00 0.00 C ATOM 730 O LEU A 45 -33.492 22.141 1.865 1.00 0.00 O ATOM 731 CB LEU A 45 -31.707 20.108 -0.036 1.00 0.00 C ATOM 732 CG LEU A 45 -33.095 19.991 -0.670 1.00 0.00 C ATOM 733 CD1 LEU A 45 -33.338 21.127 -1.653 1.00 0.00 C ATOM 734 CD2 LEU A 45 -33.249 18.647 -1.360 1.00 0.00 C ATOM 0 H LEU A 45 -29.593 20.544 1.308 1.00 0.00 H new ATOM 0 HA LEU A 45 -31.618 22.237 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -30.962 20.088 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -31.536 19.228 0.583 1.00 0.00 H new ATOM 0 HG LEU A 45 -33.841 20.063 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -34.331 21.023 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -33.270 22.081 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -32.587 21.092 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -34.241 18.579 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -32.493 18.549 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -33.123 17.847 -0.630 1.00 0.00 H new ATOM 746 N GLU A 46 -32.172 20.798 3.093 1.00 0.00 N ATOM 747 CA GLU A 46 -33.083 20.801 4.226 1.00 0.00 C ATOM 748 C GLU A 46 -32.855 22.018 5.112 1.00 0.00 C ATOM 749 O GLU A 46 -33.786 22.505 5.767 1.00 0.00 O ATOM 750 CB GLU A 46 -32.968 19.506 5.043 1.00 0.00 C ATOM 751 CG GLU A 46 -33.427 18.266 4.293 1.00 0.00 C ATOM 752 CD GLU A 46 -33.419 17.027 5.159 1.00 0.00 C ATOM 753 OE1 GLU A 46 -32.642 16.093 4.864 1.00 0.00 O ATOM 754 OE2 GLU A 46 -34.188 16.982 6.145 1.00 0.00 O1- ATOM 0 H GLU A 46 -31.314 20.266 3.235 1.00 0.00 H new ATOM 0 HA GLU A 46 -34.096 20.856 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -31.931 19.371 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -33.558 19.608 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -34.434 18.430 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -32.779 18.107 3.431 1.00 0.00 H new ATOM 761 N ASP A 47 -31.628 22.526 5.121 1.00 0.00 N ATOM 762 CA ASP A 47 -31.308 23.701 5.930 1.00 0.00 C ATOM 763 C ASP A 47 -32.005 24.938 5.372 1.00 0.00 C ATOM 764 O ASP A 47 -32.479 25.781 6.127 1.00 0.00 O ATOM 765 CB ASP A 47 -29.783 23.928 6.041 1.00 0.00 C ATOM 766 CG ASP A 47 -29.430 25.151 6.861 1.00 0.00 C ATOM 767 OD1 ASP A 47 -29.320 25.031 8.105 1.00 0.00 O ATOM 768 OD2 ASP A 47 -29.250 26.229 6.273 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.846 22.150 4.585 1.00 0.00 H new ATOM 0 HA ASP A 47 -31.678 23.518 6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.321 23.049 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.362 24.033 5.041 1.00 0.00 H new ATOM 773 N LYS A 48 -32.108 25.021 4.045 1.00 0.00 N ATOM 774 CA LYS A 48 -32.767 26.159 3.412 1.00 0.00 C ATOM 775 C LYS A 48 -34.276 26.002 3.444 1.00 0.00 C ATOM 776 O LYS A 48 -35.003 26.986 3.455 1.00 0.00 O ATOM 777 CB LYS A 48 -32.288 26.359 1.969 1.00 0.00 C ATOM 778 CG LYS A 48 -30.823 26.751 1.849 1.00 0.00 C ATOM 779 CD LYS A 48 -30.528 28.041 2.597 1.00 0.00 C ATOM 780 CE LYS A 48 -29.083 28.459 2.420 1.00 0.00 C ATOM 781 NZ LYS A 48 -28.748 29.657 3.226 1.00 0.00 N1+ ATOM 0 H LYS A 48 -31.748 24.322 3.396 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.495 27.046 3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -32.453 25.437 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -32.899 27.129 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.198 25.950 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.562 26.871 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -31.185 28.832 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -30.743 27.907 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.430 27.635 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -28.892 28.666 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.750 29.909 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -29.353 30.451 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -28.905 29.453 4.234 1.00 0.00 H new ATOM 795 N LEU A 49 -34.745 24.763 3.475 1.00 0.00 N ATOM 796 CA LEU A 49 -36.185 24.503 3.524 1.00 0.00 C ATOM 797 C LEU A 49 -36.752 24.908 4.883 1.00 0.00 C ATOM 798 O LEU A 49 -37.891 25.360 4.985 1.00 0.00 O ATOM 799 CB LEU A 49 -36.501 23.022 3.232 1.00 0.00 C ATOM 800 CG LEU A 49 -37.990 22.666 3.155 1.00 0.00 C ATOM 801 CD1 LEU A 49 -38.671 23.419 2.020 1.00 0.00 C ATOM 802 CD2 LEU A 49 -38.172 21.167 2.983 1.00 0.00 C ATOM 0 H LEU A 49 -34.161 23.927 3.467 1.00 0.00 H new ATOM 0 HA LEU A 49 -36.659 25.105 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -36.031 22.748 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -36.039 22.411 4.007 1.00 0.00 H new ATOM 0 HG LEU A 49 -38.459 22.967 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -39.727 23.149 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -38.576 24.492 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -38.199 23.155 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -39.235 20.933 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -37.684 20.844 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -37.728 20.647 3.832 1.00 0.00 H new ATOM 814 N ALA A 50 -35.946 24.747 5.923 1.00 0.00 N ATOM 815 CA ALA A 50 -36.361 25.127 7.272 1.00 0.00 C ATOM 816 C ALA A 50 -36.053 26.598 7.542 1.00 0.00 C ATOM 817 O ALA A 50 -36.687 27.230 8.382 1.00 0.00 O ATOM 818 CB ALA A 50 -35.704 24.232 8.324 1.00 0.00 C ATOM 0 H ALA A 50 -35.005 24.358 5.863 1.00 0.00 H new ATOM 0 HA ALA A 50 -37.440 24.988 7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -36.031 24.538 9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -35.992 23.195 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -34.620 24.324 8.255 1.00 0.00 H new ATOM 824 N ASP A 51 -35.083 27.136 6.810 1.00 0.00 N ATOM 825 CA ASP A 51 -34.680 28.540 6.969 1.00 0.00 C ATOM 826 C ASP A 51 -35.620 29.452 6.193 1.00 0.00 C ATOM 827 O ASP A 51 -35.978 30.536 6.660 1.00 0.00 O ATOM 828 CB ASP A 51 -33.229 28.751 6.498 1.00 0.00 C ATOM 829 CG ASP A 51 -32.770 30.187 6.621 1.00 0.00 C ATOM 830 OD1 ASP A 51 -32.341 30.590 7.721 1.00 0.00 O ATOM 831 OD2 ASP A 51 -32.822 30.916 5.615 1.00 0.00 O1- ATOM 0 H ASP A 51 -34.558 26.626 6.100 1.00 0.00 H new ATOM 0 HA ASP A 51 -34.738 28.792 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -32.567 28.112 7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -33.141 28.435 5.459 1.00 0.00 H new