USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0512 (180deg=-0.295) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.0282 F(o=-1,f=-0.028) USER MOD Single : A 20 HIS : no HD1:sc= -0.36 X(o=-0.36,f=0) 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= -0.512 K(o=-0.51,f=-4.1!) USER MOD Single : A 35 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0.0092) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 1.3 (180deg=1.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N GLU A 4 -16.107 39.396 -26.771 1.00 0.00 N ATOM 38 CA GLU A 4 -14.751 39.597 -27.235 1.00 0.00 C ATOM 39 C GLU A 4 -13.937 38.306 -27.103 1.00 0.00 C ATOM 40 O GLU A 4 -14.430 37.302 -26.580 1.00 0.00 O ATOM 41 CB GLU A 4 -14.065 40.746 -26.484 1.00 0.00 C ATOM 42 CG GLU A 4 -14.705 42.106 -26.712 1.00 0.00 C ATOM 43 CD GLU A 4 -14.700 42.515 -28.171 1.00 0.00 C ATOM 44 OE1 GLU A 4 -13.602 42.614 -28.762 1.00 0.00 O ATOM 45 OE2 GLU A 4 -15.794 42.754 -28.732 1.00 0.00 O1- ATOM 0 HA GLU A 4 -14.800 39.871 -28.289 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.076 40.526 -25.417 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.020 40.792 -26.789 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.732 42.086 -26.348 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.174 42.856 -26.126 1.00 0.00 H new ATOM 52 N LYS A 5 -12.688 38.338 -27.554 1.00 0.00 N ATOM 53 CA LYS A 5 -11.838 37.161 -27.508 1.00 0.00 C ATOM 54 C LYS A 5 -11.200 37.057 -26.136 1.00 0.00 C ATOM 55 O LYS A 5 -11.089 35.971 -25.562 1.00 0.00 O ATOM 56 CB LYS A 5 -10.765 37.240 -28.602 1.00 0.00 C ATOM 57 CG LYS A 5 -9.969 35.970 -28.805 1.00 0.00 C ATOM 58 CD LYS A 5 -8.969 36.155 -29.927 1.00 0.00 C ATOM 59 CE LYS A 5 -8.237 34.870 -30.249 1.00 0.00 C ATOM 60 NZ LYS A 5 -7.289 35.051 -31.369 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.245 39.165 -27.954 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.439 36.270 -27.688 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.246 37.505 -29.544 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.076 38.048 -28.357 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.449 35.707 -27.884 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.641 35.144 -29.039 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.485 36.512 -30.818 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.248 36.923 -29.648 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.697 34.527 -29.366 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.958 34.093 -30.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.805 34.151 -31.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.808 35.355 -32.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.586 35.775 -31.116 1.00 0.00 H new ATOM 74 N LEU A 6 -10.814 38.207 -25.598 1.00 0.00 N ATOM 75 CA LEU A 6 -10.217 38.277 -24.277 1.00 0.00 C ATOM 76 C LEU A 6 -11.241 37.930 -23.192 1.00 0.00 C ATOM 77 O LEU A 6 -10.877 37.628 -22.055 1.00 0.00 O ATOM 78 CB LEU A 6 -9.581 39.665 -24.036 1.00 0.00 C ATOM 79 CG LEU A 6 -10.444 40.900 -24.368 1.00 0.00 C ATOM 80 CD1 LEU A 6 -11.509 41.139 -23.310 1.00 0.00 C ATOM 81 CD2 LEU A 6 -9.568 42.131 -24.534 1.00 0.00 C ATOM 0 H LEU A 6 -10.906 39.110 -26.064 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.421 37.535 -24.222 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.291 39.727 -22.987 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.665 39.724 -24.624 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.955 40.704 -25.311 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.097 42.017 -23.578 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.163 40.269 -23.249 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -11.032 41.303 -22.344 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.193 42.993 -24.768 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.024 42.318 -23.608 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.859 41.966 -25.345 1.00 0.00 H new ATOM 93 N THR A 7 -12.520 37.969 -23.556 1.00 0.00 N ATOM 94 CA THR A 7 -13.588 37.623 -22.641 1.00 0.00 C ATOM 95 C THR A 7 -13.579 36.117 -22.370 1.00 0.00 C ATOM 96 O THR A 7 -13.800 35.674 -21.241 1.00 0.00 O ATOM 97 CB THR A 7 -14.958 38.031 -23.218 1.00 0.00 C ATOM 98 OG1 THR A 7 -14.893 39.383 -23.699 1.00 0.00 O ATOM 99 CG2 THR A 7 -16.045 37.926 -22.157 1.00 0.00 C ATOM 0 H THR A 7 -12.837 38.240 -24.487 1.00 0.00 H new ATOM 0 HA THR A 7 -13.424 38.164 -21.709 1.00 0.00 H new ATOM 0 HB THR A 7 -15.203 37.355 -24.037 1.00 0.00 H new ATOM 0 HG1 THR A 7 -15.764 39.641 -24.067 1.00 0.00 H new ATOM 0 HG21 THR A 7 -17.003 38.219 -22.587 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.107 36.898 -21.800 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.805 38.586 -21.323 1.00 0.00 H new ATOM 107 N ALA A 8 -13.294 35.336 -23.409 1.00 0.00 N ATOM 108 CA ALA A 8 -13.227 33.886 -23.270 1.00 0.00 C ATOM 109 C ALA A 8 -11.896 33.482 -22.653 1.00 0.00 C ATOM 110 O ALA A 8 -11.805 32.479 -21.943 1.00 0.00 O ATOM 111 CB ALA A 8 -13.449 33.181 -24.614 1.00 0.00 C ATOM 0 H ALA A 8 -13.107 35.681 -24.350 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.031 33.570 -22.605 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.392 32.102 -24.472 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.432 33.445 -25.005 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.681 33.495 -25.321 1.00 0.00 H new ATOM 117 N ASP A 9 -10.866 34.293 -22.900 1.00 0.00 N ATOM 118 CA ASP A 9 -9.537 34.031 -22.336 1.00 0.00 C ATOM 119 C ASP A 9 -9.561 34.236 -20.832 1.00 0.00 C ATOM 120 O ASP A 9 -8.769 33.645 -20.100 1.00 0.00 O ATOM 121 CB ASP A 9 -8.459 34.923 -22.980 1.00 0.00 C ATOM 122 CG ASP A 9 -7.082 34.710 -22.369 1.00 0.00 C ATOM 123 OD1 ASP A 9 -6.425 33.697 -22.699 1.00 0.00 O ATOM 124 OD2 ASP A 9 -6.646 35.562 -21.564 1.00 0.00 O1- ATOM 0 H ASP A 9 -10.923 35.129 -23.481 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.280 32.995 -22.555 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.414 34.717 -24.049 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.744 35.969 -22.868 1.00 0.00 H new ATOM 129 N ALA A 10 -10.498 35.060 -20.372 1.00 0.00 N ATOM 130 CA ALA A 10 -10.642 35.324 -18.947 1.00 0.00 C ATOM 131 C ALA A 10 -11.078 34.063 -18.208 1.00 0.00 C ATOM 132 O ALA A 10 -10.667 33.831 -17.076 1.00 0.00 O ATOM 133 CB ALA A 10 -11.609 36.487 -18.677 1.00 0.00 C ATOM 0 H ALA A 10 -11.166 35.554 -20.964 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.666 35.624 -18.566 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.689 36.652 -17.603 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.233 37.391 -19.156 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.592 36.244 -19.081 1.00 0.00 H new ATOM 139 N GLU A 11 -11.881 33.224 -18.866 1.00 0.00 N ATOM 140 CA GLU A 11 -12.319 31.985 -18.244 1.00 0.00 C ATOM 141 C GLU A 11 -11.241 30.929 -18.405 1.00 0.00 C ATOM 142 O GLU A 11 -11.013 30.113 -17.510 1.00 0.00 O ATOM 143 CB GLU A 11 -13.657 31.489 -18.819 1.00 0.00 C ATOM 144 CG GLU A 11 -14.193 30.248 -18.114 1.00 0.00 C ATOM 145 CD GLU A 11 -15.566 29.842 -18.596 1.00 0.00 C ATOM 146 OE1 GLU A 11 -15.679 29.348 -19.731 1.00 0.00 O ATOM 147 OE2 GLU A 11 -16.544 29.996 -17.828 1.00 0.00 O1- ATOM 0 H GLU A 11 -12.232 33.380 -19.811 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.485 32.179 -17.184 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.395 32.288 -18.745 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.530 31.270 -19.879 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.500 29.421 -18.269 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.231 30.435 -17.041 1.00 0.00 H new ATOM 154 N LEU A 12 -10.559 30.963 -19.547 1.00 0.00 N ATOM 155 CA LEU A 12 -9.460 30.046 -19.807 1.00 0.00 C ATOM 156 C LEU A 12 -8.362 30.249 -18.772 1.00 0.00 C ATOM 157 O LEU A 12 -7.840 29.286 -18.204 1.00 0.00 O ATOM 158 CB LEU A 12 -8.901 30.248 -21.221 1.00 0.00 C ATOM 159 CG LEU A 12 -9.875 29.982 -22.374 1.00 0.00 C ATOM 160 CD1 LEU A 12 -9.202 30.241 -23.712 1.00 0.00 C ATOM 161 CD2 LEU A 12 -10.407 28.555 -22.313 1.00 0.00 C ATOM 0 H LEU A 12 -10.751 31.617 -20.306 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.836 29.026 -19.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.542 31.274 -21.305 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.036 29.596 -21.345 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.717 30.666 -22.272 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.909 30.047 -24.519 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.874 31.279 -23.759 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.340 29.583 -23.819 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.096 28.388 -23.141 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.576 27.853 -22.386 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.930 28.402 -21.369 1.00 0.00 H new ATOM 173 N GLN A 13 -8.033 31.511 -18.515 1.00 0.00 N ATOM 174 CA GLN A 13 -7.031 31.854 -17.508 1.00 0.00 C ATOM 175 C GLN A 13 -7.544 31.484 -16.124 1.00 0.00 C ATOM 176 O GLN A 13 -6.799 30.992 -15.285 1.00 0.00 O ATOM 177 CB GLN A 13 -6.687 33.352 -17.549 1.00 0.00 C ATOM 178 CG GLN A 13 -5.646 33.766 -16.521 1.00 0.00 C ATOM 179 CD GLN A 13 -5.434 35.265 -16.476 1.00 0.00 C ATOM 180 OE1 GLN A 13 -5.583 35.958 -17.480 1.00 0.00 O ATOM 181 NE2 GLN A 13 -5.079 35.771 -15.314 1.00 0.00 N ATOM 0 H GLN A 13 -8.445 32.314 -18.990 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.124 31.291 -17.728 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.323 33.605 -18.545 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.597 33.930 -17.385 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.955 33.417 -15.536 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.700 33.276 -16.750 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.966 35.160 -14.505 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.917 36.774 -15.223 1.00 0.00 H new ATOM 190 N ARG A 14 -8.829 31.714 -15.909 1.00 0.00 N ATOM 191 CA ARG A 14 -9.482 31.405 -14.632 1.00 0.00 C ATOM 192 C ARG A 14 -9.314 29.926 -14.288 1.00 0.00 C ATOM 193 O ARG A 14 -8.966 29.574 -13.157 1.00 0.00 O ATOM 194 CB ARG A 14 -10.975 31.753 -14.704 1.00 0.00 C ATOM 195 CG ARG A 14 -11.721 31.630 -13.390 1.00 0.00 C ATOM 196 CD ARG A 14 -13.205 31.875 -13.596 1.00 0.00 C ATOM 197 NE ARG A 14 -13.457 33.121 -14.325 1.00 0.00 N ATOM 198 CZ ARG A 14 -14.416 33.280 -15.242 1.00 0.00 C ATOM 199 NH1 ARG A 14 -15.267 32.290 -15.505 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -14.530 34.438 -15.885 1.00 0.00 N ATOM 0 H ARG A 14 -9.453 32.118 -16.607 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.011 32.003 -13.852 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.078 32.775 -15.070 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.450 31.102 -15.438 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.565 30.637 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.324 32.347 -12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.638 31.039 -14.145 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.704 31.913 -12.628 1.00 0.00 H new ATOM 0 HE ARG A 14 -12.860 33.922 -14.118 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.189 31.404 -15.005 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.997 32.418 -16.206 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -13.887 35.202 -15.678 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.261 34.563 -16.585 1.00 0.00 H new ATOM 214 N LEU A 15 -9.551 29.066 -15.272 1.00 0.00 N ATOM 215 CA LEU A 15 -9.434 27.629 -15.078 1.00 0.00 C ATOM 216 C LEU A 15 -7.967 27.199 -15.005 1.00 0.00 C ATOM 217 O LEU A 15 -7.628 26.240 -14.311 1.00 0.00 O ATOM 218 CB LEU A 15 -10.166 26.863 -16.196 1.00 0.00 C ATOM 219 CG LEU A 15 -11.654 27.190 -16.369 1.00 0.00 C ATOM 220 CD1 LEU A 15 -12.251 26.376 -17.505 1.00 0.00 C ATOM 221 CD2 LEU A 15 -12.415 26.940 -15.075 1.00 0.00 C ATOM 0 H LEU A 15 -9.826 29.342 -16.215 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.906 27.383 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.658 27.063 -17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.069 25.795 -16.002 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.744 28.247 -16.619 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.307 26.622 -17.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.728 26.608 -18.433 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.146 25.313 -17.286 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.469 27.179 -15.221 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.316 25.892 -14.791 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.006 27.570 -14.285 1.00 0.00 H new ATOM 233 N LYS A 16 -7.097 27.927 -15.704 1.00 0.00 N ATOM 234 CA LYS A 16 -5.672 27.615 -15.710 1.00 0.00 C ATOM 235 C LYS A 16 -5.042 28.002 -14.379 1.00 0.00 C ATOM 236 O LYS A 16 -4.168 27.310 -13.868 1.00 0.00 O ATOM 237 CB LYS A 16 -4.966 28.347 -16.857 1.00 0.00 C ATOM 238 CG LYS A 16 -3.475 28.059 -16.942 1.00 0.00 C ATOM 239 CD LYS A 16 -2.811 28.868 -18.042 1.00 0.00 C ATOM 240 CE LYS A 16 -1.316 28.590 -18.105 1.00 0.00 C ATOM 241 NZ LYS A 16 -0.624 28.955 -16.840 1.00 0.00 N1+ ATOM 0 H LYS A 16 -7.355 28.734 -16.271 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.556 26.541 -15.858 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.436 28.065 -17.799 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.113 29.420 -16.736 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.004 28.289 -15.986 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.319 26.996 -17.127 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.269 28.627 -19.001 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.979 29.931 -17.867 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.153 27.533 -18.315 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.878 29.150 -18.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.404 28.960 -16.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.933 29.900 -16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.859 28.260 -16.103 1.00 0.00 H new ATOM 255 N ASN A 17 -5.504 29.110 -13.825 1.00 0.00 N ATOM 256 CA ASN A 17 -5.004 29.594 -12.538 1.00 0.00 C ATOM 257 C ASN A 17 -5.584 28.757 -11.404 1.00 0.00 C ATOM 258 O ASN A 17 -5.079 28.765 -10.286 1.00 0.00 O ATOM 259 CB ASN A 17 -5.355 31.081 -12.334 1.00 0.00 C ATOM 260 CG ASN A 17 -4.699 31.689 -11.100 1.00 0.00 C ATOM 261 OD1 ASN A 17 -3.497 31.246 -10.784 1.00 0.00 O flip ATOM 262 ND2 ASN A 17 -5.272 32.565 -10.446 1.00 0.00 N flip ATOM 0 H ASN A 17 -6.226 29.696 -14.243 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.918 29.497 -12.534 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.048 31.644 -13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.437 31.184 -12.250 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.202 32.882 -10.722 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.816 32.972 -9.630 1.00 0.00 H new ATOM 269 N GLU A 18 -6.642 28.030 -11.709 1.00 0.00 N ATOM 270 CA GLU A 18 -7.284 27.176 -10.722 1.00 0.00 C ATOM 271 C GLU A 18 -6.602 25.811 -10.708 1.00 0.00 C ATOM 272 O GLU A 18 -6.304 25.265 -9.646 1.00 0.00 O ATOM 273 CB GLU A 18 -8.781 27.018 -11.037 1.00 0.00 C ATOM 274 CG GLU A 18 -9.610 26.536 -9.862 1.00 0.00 C ATOM 275 CD GLU A 18 -9.610 27.523 -8.716 1.00 0.00 C ATOM 276 OE1 GLU A 18 -10.177 28.627 -8.878 1.00 0.00 O ATOM 277 OE2 GLU A 18 -9.049 27.202 -7.647 1.00 0.00 O1- ATOM 0 H GLU A 18 -7.077 28.012 -12.632 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.188 27.637 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.174 27.976 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.896 26.316 -11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.635 26.363 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.221 25.579 -9.514 1.00 0.00 H new ATOM 284 N ARG A 19 -6.341 25.288 -11.912 1.00 0.00 N ATOM 285 CA ARG A 19 -5.694 23.986 -12.115 1.00 0.00 C ATOM 286 C ARG A 19 -6.579 22.842 -11.635 1.00 0.00 C ATOM 287 O ARG A 19 -6.714 22.599 -10.432 1.00 0.00 O ATOM 288 CB ARG A 19 -4.313 23.910 -11.445 1.00 0.00 C ATOM 289 CG ARG A 19 -3.364 25.030 -11.841 1.00 0.00 C ATOM 290 CD ARG A 19 -1.914 24.629 -11.628 1.00 0.00 C ATOM 291 NE ARG A 19 -1.672 24.087 -10.287 1.00 0.00 N ATOM 292 CZ ARG A 19 -0.902 23.020 -10.040 1.00 0.00 C ATOM 293 NH1 ARG A 19 -0.331 22.363 -11.041 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 -0.715 22.607 -8.797 1.00 0.00 N ATOM 0 H ARG A 19 -6.576 25.763 -12.784 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.546 23.881 -13.190 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.445 23.927 -10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.853 22.954 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.521 25.289 -12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.586 25.922 -11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.633 23.885 -12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.273 25.497 -11.787 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.117 24.551 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.478 22.670 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.255 21.550 -10.849 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.158 23.102 -8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.128 21.794 -8.613 1.00 0.00 H new ATOM 308 N HIS A 20 -7.162 22.128 -12.585 1.00 0.00 N ATOM 309 CA HIS A 20 -8.060 21.008 -12.276 1.00 0.00 C ATOM 310 C HIS A 20 -7.295 19.859 -11.635 1.00 0.00 C ATOM 311 O HIS A 20 -7.850 19.100 -10.836 1.00 0.00 O ATOM 312 CB HIS A 20 -8.780 20.523 -13.539 1.00 0.00 C ATOM 313 CG HIS A 20 -9.671 21.551 -14.167 1.00 0.00 C ATOM 314 ND1 HIS A 20 -9.291 22.314 -15.251 1.00 0.00 N ATOM 315 CD2 HIS A 20 -10.934 21.935 -13.866 1.00 0.00 C ATOM 316 CE1 HIS A 20 -10.282 23.119 -15.589 1.00 0.00 C ATOM 317 NE2 HIS A 20 -11.289 22.911 -14.766 1.00 0.00 N ATOM 0 H HIS A 20 -7.034 22.299 -13.582 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.806 21.365 -11.566 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.036 20.207 -14.270 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.375 19.645 -13.290 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.548 21.547 -13.067 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.269 23.828 -16.403 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.186 23.395 -14.792 1.00 0.00 H new ATOM 325 N GLU A 21 -6.016 19.740 -11.978 1.00 0.00 N ATOM 326 CA GLU A 21 -5.166 18.691 -11.406 1.00 0.00 C ATOM 327 C GLU A 21 -5.064 18.866 -9.897 1.00 0.00 C ATOM 328 O GLU A 21 -5.203 17.909 -9.133 1.00 0.00 O ATOM 329 CB GLU A 21 -3.750 18.724 -12.003 1.00 0.00 C ATOM 330 CG GLU A 21 -2.862 17.599 -11.495 1.00 0.00 C ATOM 331 CD GLU A 21 -1.390 17.914 -11.596 1.00 0.00 C ATOM 332 OE1 GLU A 21 -0.890 18.096 -12.720 1.00 0.00 O ATOM 333 OE2 GLU A 21 -0.718 17.969 -10.543 1.00 0.00 O1- ATOM 0 H GLU A 21 -5.544 20.351 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.626 17.732 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.819 18.662 -13.089 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.285 19.681 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.112 17.389 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.073 16.693 -12.063 1.00 0.00 H new ATOM 340 N GLU A 22 -4.854 20.104 -9.474 1.00 0.00 N ATOM 341 CA GLU A 22 -4.688 20.408 -8.059 1.00 0.00 C ATOM 342 C GLU A 22 -5.981 20.132 -7.292 1.00 0.00 C ATOM 343 O GLU A 22 -5.952 19.801 -6.114 1.00 0.00 O ATOM 344 CB GLU A 22 -4.213 21.863 -7.852 1.00 0.00 C ATOM 345 CG GLU A 22 -3.751 22.169 -6.436 1.00 0.00 C ATOM 346 CD GLU A 22 -3.081 23.519 -6.330 1.00 0.00 C ATOM 347 OE1 GLU A 22 -1.890 23.626 -6.681 1.00 0.00 O ATOM 348 OE2 GLU A 22 -3.737 24.487 -5.903 1.00 0.00 O1- ATOM 0 H GLU A 22 -4.794 20.915 -10.090 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.914 19.752 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.395 22.069 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.027 22.540 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.607 22.137 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.057 21.395 -6.107 1.00 0.00 H new ATOM 355 N ALA A 23 -7.114 20.231 -7.983 1.00 0.00 N ATOM 356 CA ALA A 23 -8.404 19.950 -7.356 1.00 0.00 C ATOM 357 C ALA A 23 -8.578 18.450 -7.152 1.00 0.00 C ATOM 358 O ALA A 23 -9.265 18.017 -6.228 1.00 0.00 O ATOM 359 CB ALA A 23 -9.568 20.518 -8.176 1.00 0.00 C ATOM 0 H ALA A 23 -7.167 20.500 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.415 20.444 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.510 20.289 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.458 21.599 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.565 20.071 -9.170 1.00 0.00 H new ATOM 365 N GLU A 24 -7.923 17.665 -8.003 1.00 0.00 N ATOM 366 CA GLU A 24 -8.004 16.209 -7.928 1.00 0.00 C ATOM 367 C GLU A 24 -7.077 15.693 -6.837 1.00 0.00 C ATOM 368 O GLU A 24 -7.479 14.897 -5.985 1.00 0.00 O ATOM 369 CB GLU A 24 -7.632 15.568 -9.275 1.00 0.00 C ATOM 370 CG GLU A 24 -7.817 14.059 -9.307 1.00 0.00 C ATOM 371 CD GLU A 24 -9.272 13.652 -9.250 1.00 0.00 C ATOM 372 OE1 GLU A 24 -9.835 13.570 -8.142 1.00 0.00 O ATOM 373 OE2 GLU A 24 -9.863 13.415 -10.321 1.00 0.00 O1- ATOM 0 H GLU A 24 -7.328 18.014 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.032 15.936 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.240 16.016 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.592 15.802 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.367 13.660 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.285 13.613 -8.466 1.00 0.00 H new ATOM 380 N LEU A 25 -5.833 16.160 -6.863 1.00 0.00 N ATOM 381 CA LEU A 25 -4.849 15.763 -5.858 1.00 0.00 C ATOM 382 C LEU A 25 -5.290 16.212 -4.467 1.00 0.00 C ATOM 383 O LEU A 25 -5.063 15.512 -3.484 1.00 0.00 O ATOM 384 CB LEU A 25 -3.429 16.291 -6.191 1.00 0.00 C ATOM 385 CG LEU A 25 -2.622 15.482 -7.225 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.372 15.347 -8.539 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.266 16.127 -7.455 1.00 0.00 C ATOM 0 H LEU A 25 -5.482 16.811 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.793 14.674 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.522 17.314 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.854 16.332 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.477 14.479 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.772 14.771 -9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.319 14.836 -8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.564 16.337 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.706 15.546 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.404 17.142 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.713 16.157 -6.516 1.00 0.00 H new ATOM 399 N GLU A 26 -5.945 17.371 -4.397 1.00 0.00 N ATOM 400 CA GLU A 26 -6.479 17.876 -3.131 1.00 0.00 C ATOM 401 C GLU A 26 -7.583 16.956 -2.653 1.00 0.00 C ATOM 402 O GLU A 26 -7.630 16.565 -1.486 1.00 0.00 O ATOM 403 CB GLU A 26 -7.049 19.292 -3.304 1.00 0.00 C ATOM 404 CG GLU A 26 -7.712 19.846 -2.057 1.00 0.00 C ATOM 405 CD GLU A 26 -8.577 21.043 -2.357 1.00 0.00 C ATOM 406 OE1 GLU A 26 -9.770 20.853 -2.670 1.00 0.00 O ATOM 407 OE2 GLU A 26 -8.072 22.182 -2.289 1.00 0.00 O1- ATOM 0 H GLU A 26 -6.118 17.977 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.669 17.910 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.244 19.963 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.776 19.283 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.319 19.068 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.946 20.125 -1.334 1.00 0.00 H new ATOM 414 N ARG A 27 -8.458 16.611 -3.581 1.00 0.00 N ATOM 415 CA ARG A 27 -9.602 15.739 -3.319 1.00 0.00 C ATOM 416 C ARG A 27 -9.145 14.386 -2.773 1.00 0.00 C ATOM 417 O ARG A 27 -9.652 13.907 -1.759 1.00 0.00 O ATOM 418 CB ARG A 27 -10.412 15.542 -4.615 1.00 0.00 C ATOM 419 CG ARG A 27 -11.640 14.666 -4.476 1.00 0.00 C ATOM 420 CD ARG A 27 -12.323 14.481 -5.821 1.00 0.00 C ATOM 421 NE ARG A 27 -12.775 15.759 -6.393 1.00 0.00 N ATOM 422 CZ ARG A 27 -12.577 16.140 -7.663 1.00 0.00 C ATOM 423 NH1 ARG A 27 -11.833 15.403 -8.481 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -13.094 17.286 -8.095 1.00 0.00 N ATOM 0 H ARG A 27 -8.399 16.928 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.233 16.212 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.722 16.520 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.758 15.108 -5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.356 13.695 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.336 15.116 -3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.634 13.998 -6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.177 13.814 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.275 16.402 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.407 14.540 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.688 15.701 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.638 17.871 -7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.946 17.580 -9.060 1.00 0.00 H new ATOM 438 N LEU A 28 -8.166 13.796 -3.433 1.00 0.00 N ATOM 439 CA LEU A 28 -7.671 12.476 -3.047 1.00 0.00 C ATOM 440 C LEU A 28 -6.821 12.532 -1.770 1.00 0.00 C ATOM 441 O LEU A 28 -6.798 11.579 -0.992 1.00 0.00 O ATOM 442 CB LEU A 28 -6.866 11.828 -4.196 1.00 0.00 C ATOM 443 CG LEU A 28 -6.394 10.392 -3.952 1.00 0.00 C ATOM 444 CD1 LEU A 28 -7.582 9.452 -3.806 1.00 0.00 C ATOM 445 CD2 LEU A 28 -5.482 9.932 -5.079 1.00 0.00 C ATOM 0 H LEU A 28 -7.694 14.205 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.545 11.858 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.480 11.840 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.993 12.448 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.828 10.371 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.224 8.437 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.195 9.769 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.179 9.476 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.156 8.909 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.024 9.971 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.612 10.586 -5.133 1.00 0.00 H new ATOM 457 N LYS A 29 -6.146 13.651 -1.541 1.00 0.00 N ATOM 458 CA LYS A 29 -5.255 13.764 -0.381 1.00 0.00 C ATOM 459 C LYS A 29 -6.040 14.080 0.893 1.00 0.00 C ATOM 460 O LYS A 29 -5.647 13.688 1.991 1.00 0.00 O ATOM 461 CB LYS A 29 -4.167 14.835 -0.617 1.00 0.00 C ATOM 462 CG LYS A 29 -2.944 14.690 0.284 1.00 0.00 C ATOM 463 CD LYS A 29 -2.127 13.445 -0.067 1.00 0.00 C ATOM 464 CE LYS A 29 -1.603 13.503 -1.498 1.00 0.00 C ATOM 465 NZ LYS A 29 -0.738 12.342 -1.833 1.00 0.00 N1+ ATOM 0 H LYS A 29 -6.193 14.483 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.766 12.798 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.846 14.788 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.604 15.822 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.316 15.576 0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.263 14.634 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.289 13.352 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.745 12.556 0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.445 13.536 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.039 14.425 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.407 12.428 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.081 12.323 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.282 11.462 -1.726 1.00 0.00 H new ATOM 479 N SER A 30 -7.157 14.768 0.741 1.00 0.00 N ATOM 480 CA SER A 30 -7.969 15.165 1.879 1.00 0.00 C ATOM 481 C SER A 30 -9.007 14.103 2.231 1.00 0.00 C ATOM 482 O SER A 30 -9.686 14.215 3.254 1.00 0.00 O ATOM 483 CB SER A 30 -8.657 16.502 1.599 1.00 0.00 C ATOM 484 OG SER A 30 -9.473 16.420 0.442 1.00 0.00 O ATOM 0 H SER A 30 -7.524 15.065 -0.163 1.00 0.00 H new ATOM 0 HA SER A 30 -7.304 15.275 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.264 16.790 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.906 17.281 1.465 1.00 0.00 H new ATOM 0 HG SER A 30 -8.912 16.479 -0.359 1.00 0.00 H new ATOM 490 N GLU A 31 -9.130 13.079 1.368 1.00 0.00 N ATOM 491 CA GLU A 31 -10.147 12.016 1.535 1.00 0.00 C ATOM 492 C GLU A 31 -11.534 12.564 1.236 1.00 0.00 C ATOM 493 O GLU A 31 -12.537 12.103 1.786 1.00 0.00 O ATOM 494 CB GLU A 31 -10.098 11.398 2.946 1.00 0.00 C ATOM 495 CG GLU A 31 -9.194 10.183 3.050 1.00 0.00 C ATOM 496 CD GLU A 31 -9.739 8.998 2.275 1.00 0.00 C ATOM 497 OE1 GLU A 31 -10.344 8.099 2.896 1.00 0.00 O ATOM 498 OE2 GLU A 31 -9.585 8.964 1.045 1.00 0.00 O1- ATOM 0 H GLU A 31 -8.538 12.962 0.545 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.920 11.222 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.757 12.155 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.108 11.115 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.203 10.436 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.077 9.907 4.098 1.00 0.00 H new ATOM 505 N ARG A 32 -11.578 13.548 0.343 1.00 0.00 N ATOM 506 CA ARG A 32 -12.816 14.164 -0.085 1.00 0.00 C ATOM 507 C ARG A 32 -13.587 13.199 -1.020 1.00 0.00 C ATOM 508 O ARG A 32 -13.479 13.306 -2.241 1.00 0.00 O ATOM 509 CB ARG A 32 -12.495 15.460 -0.850 1.00 0.00 C ATOM 510 CG ARG A 32 -13.714 16.271 -1.267 1.00 0.00 C ATOM 511 CD ARG A 32 -14.344 16.979 -0.081 1.00 0.00 C ATOM 512 NE ARG A 32 -13.436 17.965 0.516 1.00 0.00 N ATOM 513 CZ ARG A 32 -13.694 18.636 1.639 1.00 0.00 C ATOM 514 NH1 ARG A 32 -14.851 18.465 2.266 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -12.806 19.498 2.124 1.00 0.00 N ATOM 0 H ARG A 32 -10.748 13.938 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.430 14.388 0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.856 16.085 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.921 15.207 -1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.424 17.005 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.449 15.613 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.260 17.476 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.626 16.243 0.672 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.552 18.149 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.545 17.819 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.046 18.979 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.923 19.649 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.008 20.009 2.983 1.00 0.00 H new ATOM 529 N HIS A 33 -14.318 12.222 -0.459 1.00 0.00 N ATOM 530 CA HIS A 33 -15.065 11.293 -1.289 1.00 0.00 C ATOM 531 C HIS A 33 -16.371 11.938 -1.771 1.00 0.00 C ATOM 532 O HIS A 33 -16.663 13.088 -1.429 1.00 0.00 O ATOM 533 CB HIS A 33 -15.348 9.985 -0.539 1.00 0.00 C ATOM 534 CG HIS A 33 -14.114 9.181 -0.236 1.00 0.00 C ATOM 535 ND1 HIS A 33 -13.662 8.161 -1.044 1.00 0.00 N ATOM 536 CD2 HIS A 33 -13.231 9.261 0.787 1.00 0.00 C ATOM 537 CE1 HIS A 33 -12.554 7.653 -0.531 1.00 0.00 C ATOM 538 NE2 HIS A 33 -12.271 8.303 0.577 1.00 0.00 N ATOM 0 H HIS A 33 -14.401 12.065 0.545 1.00 0.00 H new ATOM 0 HA HIS A 33 -14.456 11.051 -2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.859 10.216 0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.030 9.377 -1.133 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -14.112 7.847 -1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -13.274 9.952 1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.979 6.841 -0.951 1.00 0.00 H new ATOM 546 N ASP A 34 -17.176 11.194 -2.538 1.00 0.00 N ATOM 547 CA ASP A 34 -18.402 11.749 -3.100 1.00 0.00 C ATOM 548 C ASP A 34 -19.435 12.000 -2.016 1.00 0.00 C ATOM 549 O ASP A 34 -20.204 12.950 -2.099 1.00 0.00 O ATOM 550 CB ASP A 34 -18.988 10.815 -4.168 1.00 0.00 C ATOM 551 CG ASP A 34 -19.670 9.600 -3.575 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.961 8.692 -3.095 1.00 0.00 O ATOM 553 OD2 ASP A 34 -20.921 9.548 -3.585 1.00 0.00 O1- ATOM 0 H ASP A 34 -17.000 10.219 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.146 12.700 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.705 11.369 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.191 10.489 -4.836 1.00 0.00 H new ATOM 558 N HIS A 35 -19.430 11.155 -0.987 1.00 0.00 N ATOM 559 CA HIS A 35 -20.400 11.255 0.108 1.00 0.00 C ATOM 560 C HIS A 35 -20.392 12.627 0.757 1.00 0.00 C ATOM 561 O HIS A 35 -21.444 13.154 1.107 1.00 0.00 O ATOM 562 CB HIS A 35 -20.163 10.167 1.158 1.00 0.00 C ATOM 563 CG HIS A 35 -20.768 8.845 0.799 1.00 0.00 C ATOM 564 ND1 HIS A 35 -21.744 8.233 1.560 1.00 0.00 N ATOM 565 CD2 HIS A 35 -20.536 8.015 -0.242 1.00 0.00 C ATOM 566 CE1 HIS A 35 -22.081 7.085 0.998 1.00 0.00 C ATOM 567 NE2 HIS A 35 -21.364 6.933 -0.093 1.00 0.00 N ATOM 0 H HIS A 35 -18.763 10.390 -0.886 1.00 0.00 H new ATOM 0 HA HIS A 35 -21.386 11.105 -0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.090 10.039 1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -20.574 10.498 2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -19.829 8.175 -1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -22.819 6.391 1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -21.416 6.136 -0.728 1.00 0.00 H new ATOM 575 N ASP A 36 -19.213 13.215 0.891 1.00 0.00 N ATOM 576 CA ASP A 36 -19.100 14.543 1.501 1.00 0.00 C ATOM 577 C ASP A 36 -19.759 15.596 0.621 1.00 0.00 C ATOM 578 O ASP A 36 -20.442 16.493 1.114 1.00 0.00 O ATOM 579 CB ASP A 36 -17.639 14.920 1.766 1.00 0.00 C ATOM 580 CG ASP A 36 -17.506 16.303 2.364 1.00 0.00 C ATOM 581 OD1 ASP A 36 -17.790 16.468 3.573 1.00 0.00 O ATOM 582 OD2 ASP A 36 -17.116 17.231 1.641 1.00 0.00 O1- ATOM 0 H ASP A 36 -18.328 12.805 0.592 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.618 14.506 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -17.194 14.189 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.078 14.874 0.832 1.00 0.00 H new ATOM 587 N LYS A 37 -19.569 15.463 -0.685 1.00 0.00 N ATOM 588 CA LYS A 37 -20.155 16.389 -1.642 1.00 0.00 C ATOM 589 C LYS A 37 -21.669 16.197 -1.705 1.00 0.00 C ATOM 590 O LYS A 37 -22.425 17.162 -1.857 1.00 0.00 O ATOM 591 CB LYS A 37 -19.536 16.184 -3.025 1.00 0.00 C ATOM 592 CG LYS A 37 -19.941 17.233 -4.051 1.00 0.00 C ATOM 593 CD LYS A 37 -19.462 18.617 -3.650 1.00 0.00 C ATOM 594 CE LYS A 37 -19.683 19.629 -4.763 1.00 0.00 C ATOM 595 NZ LYS A 37 -19.098 20.954 -4.433 1.00 0.00 N1+ ATOM 0 H LYS A 37 -19.011 14.720 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.946 17.408 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.450 16.186 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.821 15.200 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.526 16.971 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -21.026 17.239 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.991 18.940 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.402 18.577 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.239 19.256 -5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.752 19.740 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.271 21.615 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.540 21.322 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.074 20.854 -4.284 1.00 0.00 H new ATOM 609 N LYS A 38 -22.106 14.943 -1.586 1.00 0.00 N ATOM 610 CA LYS A 38 -23.529 14.627 -1.579 1.00 0.00 C ATOM 611 C LYS A 38 -24.183 15.261 -0.361 1.00 0.00 C ATOM 612 O LYS A 38 -25.232 15.901 -0.464 1.00 0.00 O ATOM 613 CB LYS A 38 -23.753 13.103 -1.563 1.00 0.00 C ATOM 614 CG LYS A 38 -23.064 12.350 -2.699 1.00 0.00 C ATOM 615 CD LYS A 38 -23.566 12.792 -4.064 1.00 0.00 C ATOM 616 CE LYS A 38 -22.765 12.148 -5.193 1.00 0.00 C ATOM 617 NZ LYS A 38 -22.794 10.661 -5.136 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.494 14.133 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.980 15.027 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.397 12.706 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.824 12.905 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.988 12.511 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.234 11.280 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.619 12.529 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.499 13.877 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -23.164 12.479 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.731 12.490 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -22.415 10.272 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.213 10.333 -4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.774 10.338 -5.007 1.00 0.00 H new ATOM 631 N GLU A 39 -23.541 15.098 0.793 1.00 0.00 N ATOM 632 CA GLU A 39 -24.038 15.685 2.033 1.00 0.00 C ATOM 633 C GLU A 39 -24.010 17.200 1.981 1.00 0.00 C ATOM 634 O GLU A 39 -24.863 17.852 2.559 1.00 0.00 O ATOM 635 CB GLU A 39 -23.267 15.176 3.258 1.00 0.00 C ATOM 636 CG GLU A 39 -23.672 13.787 3.689 1.00 0.00 C ATOM 637 CD GLU A 39 -25.133 13.721 4.058 1.00 0.00 C ATOM 638 OE1 GLU A 39 -25.922 13.168 3.273 1.00 0.00 O ATOM 639 OE2 GLU A 39 -25.507 14.239 5.132 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.677 14.565 0.895 1.00 0.00 H new ATOM 0 HA GLU A 39 -25.075 15.366 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -22.200 15.182 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.423 15.865 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -23.468 13.082 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -23.067 13.480 4.542 1.00 0.00 H new ATOM 646 N ALA A 40 -23.043 17.763 1.263 1.00 0.00 N ATOM 647 CA ALA A 40 -22.950 19.218 1.141 1.00 0.00 C ATOM 648 C ALA A 40 -24.174 19.769 0.416 1.00 0.00 C ATOM 649 O ALA A 40 -24.569 20.913 0.620 1.00 0.00 O ATOM 650 CB ALA A 40 -21.657 19.646 0.432 1.00 0.00 C ATOM 0 H ALA A 40 -22.321 17.245 0.762 1.00 0.00 H new ATOM 0 HA ALA A 40 -22.922 19.636 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -21.624 20.733 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -20.796 19.294 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -21.631 19.215 -0.569 1.00 0.00 H new ATOM 656 N GLU A 41 -24.778 18.939 -0.423 1.00 0.00 N ATOM 657 CA GLU A 41 -25.973 19.336 -1.147 1.00 0.00 C ATOM 658 C GLU A 41 -27.215 19.028 -0.326 1.00 0.00 C ATOM 659 O GLU A 41 -28.062 19.892 -0.114 1.00 0.00 O ATOM 660 CB GLU A 41 -26.051 18.640 -2.510 1.00 0.00 C ATOM 661 CG GLU A 41 -27.241 19.068 -3.346 1.00 0.00 C ATOM 662 CD GLU A 41 -27.205 18.490 -4.736 1.00 0.00 C ATOM 663 OE1 GLU A 41 -27.698 17.364 -4.932 1.00 0.00 O ATOM 664 OE2 GLU A 41 -26.686 19.163 -5.647 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.460 17.990 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 41 -25.921 20.411 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -25.136 18.845 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.096 17.562 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -28.160 18.757 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -27.265 20.156 -3.409 1.00 0.00 H new ATOM 671 N ARG A 42 -27.302 17.796 0.158 1.00 0.00 N ATOM 672 CA ARG A 42 -28.460 17.354 0.927 1.00 0.00 C ATOM 673 C ARG A 42 -28.616 18.137 2.228 1.00 0.00 C ATOM 674 O ARG A 42 -29.733 18.364 2.689 1.00 0.00 O ATOM 675 CB ARG A 42 -28.406 15.847 1.193 1.00 0.00 C ATOM 676 CG ARG A 42 -28.456 15.014 -0.077 1.00 0.00 C ATOM 677 CD ARG A 42 -28.627 13.531 0.214 1.00 0.00 C ATOM 678 NE ARG A 42 -27.480 12.952 0.916 1.00 0.00 N ATOM 679 CZ ARG A 42 -26.925 11.778 0.606 1.00 0.00 C ATOM 680 NH1 ARG A 42 -27.382 11.064 -0.424 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -25.918 11.320 1.333 1.00 0.00 N ATOM 0 H ARG A 42 -26.584 17.083 0.032 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.343 17.558 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -27.491 15.613 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -29.240 15.568 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.280 15.357 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -27.539 15.167 -0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -29.525 13.385 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -28.780 12.997 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 42 -27.079 13.479 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -28.161 11.414 -0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -26.952 10.168 -0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -25.571 11.863 2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -25.489 10.424 1.102 1.00 0.00 H new ATOM 695 N LYS A 43 -27.503 18.563 2.811 1.00 0.00 N ATOM 696 CA LYS A 43 -27.550 19.370 4.035 1.00 0.00 C ATOM 697 C LYS A 43 -28.142 20.746 3.730 1.00 0.00 C ATOM 698 O LYS A 43 -28.867 21.321 4.546 1.00 0.00 O ATOM 699 CB LYS A 43 -26.149 19.512 4.680 1.00 0.00 C ATOM 700 CG LYS A 43 -26.128 20.352 5.949 1.00 0.00 C ATOM 701 CD LYS A 43 -24.706 20.570 6.452 1.00 0.00 C ATOM 702 CE LYS A 43 -24.024 19.256 6.804 1.00 0.00 C ATOM 703 NZ LYS A 43 -22.662 19.469 7.353 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.563 18.369 2.465 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.189 18.856 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.765 18.518 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -25.470 19.956 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.598 21.316 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.717 19.859 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.126 21.088 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.726 21.216 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.629 18.717 7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -23.963 18.629 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.232 18.550 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.077 19.961 6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.722 20.046 8.216 1.00 0.00 H new ATOM 717 N ALA A 44 -27.868 21.251 2.529 1.00 0.00 N ATOM 718 CA ALA A 44 -28.373 22.544 2.124 1.00 0.00 C ATOM 719 C ALA A 44 -29.848 22.442 1.774 1.00 0.00 C ATOM 720 O ALA A 44 -30.589 23.415 1.880 1.00 0.00 O ATOM 721 CB ALA A 44 -27.568 23.097 0.951 1.00 0.00 C ATOM 0 H ALA A 44 -27.299 20.779 1.826 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.264 23.238 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.966 24.070 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.524 23.204 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -27.639 22.412 0.106 1.00 0.00 H new ATOM 727 N LEU A 45 -30.279 21.245 1.379 1.00 0.00 N ATOM 728 CA LEU A 45 -31.671 21.018 1.042 1.00 0.00 C ATOM 729 C LEU A 45 -32.533 21.066 2.296 1.00 0.00 C ATOM 730 O LEU A 45 -33.703 21.434 2.241 1.00 0.00 O ATOM 731 CB LEU A 45 -31.858 19.676 0.308 1.00 0.00 C ATOM 732 CG LEU A 45 -31.104 19.527 -1.018 1.00 0.00 C ATOM 733 CD1 LEU A 45 -31.362 18.158 -1.627 1.00 0.00 C ATOM 734 CD2 LEU A 45 -31.501 20.628 -1.993 1.00 0.00 C ATOM 0 H LEU A 45 -29.681 20.424 1.287 1.00 0.00 H new ATOM 0 HA LEU A 45 -31.988 21.813 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -31.544 18.873 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -32.922 19.534 0.117 1.00 0.00 H new ATOM 0 HG LEU A 45 -30.037 19.620 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -30.819 18.070 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -31.023 17.384 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -32.429 18.037 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -30.953 20.502 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -32.572 20.571 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -31.263 21.600 -1.561 1.00 0.00 H new ATOM 746 N GLU A 46 -31.947 20.715 3.436 1.00 0.00 N ATOM 747 CA GLU A 46 -32.683 20.752 4.687 1.00 0.00 C ATOM 748 C GLU A 46 -32.687 22.169 5.248 1.00 0.00 C ATOM 749 O GLU A 46 -33.691 22.623 5.793 1.00 0.00 O ATOM 750 CB GLU A 46 -32.125 19.745 5.718 1.00 0.00 C ATOM 751 CG GLU A 46 -32.921 19.705 7.012 1.00 0.00 C ATOM 752 CD GLU A 46 -32.368 18.713 8.006 1.00 0.00 C ATOM 753 OE1 GLU A 46 -31.560 19.114 8.866 1.00 0.00 O ATOM 754 OE2 GLU A 46 -32.746 17.528 7.942 1.00 0.00 O1- ATOM 0 H GLU A 46 -30.978 20.406 3.516 1.00 0.00 H new ATOM 0 HA GLU A 46 -33.710 20.452 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -32.116 18.749 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -31.090 20.003 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -32.927 20.698 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -33.957 19.450 6.789 1.00 0.00 H new ATOM 761 N ASP A 47 -31.575 22.884 5.069 1.00 0.00 N ATOM 762 CA ASP A 47 -31.473 24.264 5.554 1.00 0.00 C ATOM 763 C ASP A 47 -32.379 25.165 4.727 1.00 0.00 C ATOM 764 O ASP A 47 -32.940 26.135 5.228 1.00 0.00 O ATOM 765 CB ASP A 47 -30.010 24.768 5.515 1.00 0.00 C ATOM 766 CG ASP A 47 -29.865 26.193 6.017 1.00 0.00 C ATOM 767 OD1 ASP A 47 -29.850 26.394 7.251 1.00 0.00 O ATOM 768 OD2 ASP A 47 -29.736 27.112 5.185 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.740 22.537 4.597 1.00 0.00 H new ATOM 0 HA ASP A 47 -31.797 24.291 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.387 24.109 6.120 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.637 24.708 4.493 1.00 0.00 H new ATOM 773 N LYS A 48 -32.552 24.796 3.463 1.00 0.00 N ATOM 774 CA LYS A 48 -33.407 25.539 2.536 1.00 0.00 C ATOM 775 C LYS A 48 -34.856 25.529 3.021 1.00 0.00 C ATOM 776 O LYS A 48 -35.572 26.523 2.898 1.00 0.00 O ATOM 777 CB LYS A 48 -33.292 24.940 1.115 1.00 0.00 C ATOM 778 CG LYS A 48 -34.150 25.613 0.056 1.00 0.00 C ATOM 779 CD LYS A 48 -33.715 25.177 -1.338 1.00 0.00 C ATOM 780 CE LYS A 48 -34.628 25.728 -2.425 1.00 0.00 C ATOM 781 NZ LYS A 48 -35.905 24.977 -2.521 1.00 0.00 N1+ ATOM 0 H LYS A 48 -32.107 23.977 3.050 1.00 0.00 H new ATOM 0 HA LYS A 48 -33.074 26.576 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -32.250 24.990 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -33.561 23.885 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -35.198 25.358 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -34.068 26.696 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -32.694 25.512 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -33.707 24.088 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -34.840 26.777 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -34.112 25.688 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -36.494 25.388 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -35.706 23.980 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -36.411 25.036 -1.615 1.00 0.00 H new ATOM 795 N LEU A 49 -35.270 24.409 3.596 1.00 0.00 N ATOM 796 CA LEU A 49 -36.631 24.272 4.121 1.00 0.00 C ATOM 797 C LEU A 49 -36.714 24.744 5.570 1.00 0.00 C ATOM 798 O LEU A 49 -37.711 25.330 5.982 1.00 0.00 O ATOM 799 CB LEU A 49 -37.149 22.816 4.009 1.00 0.00 C ATOM 800 CG LEU A 49 -37.671 22.366 2.627 1.00 0.00 C ATOM 801 CD1 LEU A 49 -38.888 23.176 2.219 1.00 0.00 C ATOM 802 CD2 LEU A 49 -36.589 22.466 1.565 1.00 0.00 C ATOM 0 H LEU A 49 -34.688 23.580 3.713 1.00 0.00 H new ATOM 0 HA LEU A 49 -37.270 24.907 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -36.342 22.145 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -37.952 22.684 4.734 1.00 0.00 H new ATOM 0 HG LEU A 49 -37.963 21.319 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -39.237 22.841 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -39.680 23.038 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -38.622 24.232 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -36.990 22.142 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -36.251 23.499 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -35.749 21.829 1.841 1.00 0.00 H new ATOM 814 N ALA A 50 -35.658 24.498 6.338 1.00 0.00 N ATOM 815 CA ALA A 50 -35.634 24.889 7.752 1.00 0.00 C ATOM 816 C ALA A 50 -35.590 26.408 7.913 1.00 0.00 C ATOM 817 O ALA A 50 -36.209 26.961 8.822 1.00 0.00 O ATOM 818 CB ALA A 50 -34.475 24.216 8.511 1.00 0.00 C ATOM 0 H ALA A 50 -34.810 24.033 6.013 1.00 0.00 H new ATOM 0 HA ALA A 50 -36.564 24.536 8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -34.492 24.531 9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -34.585 23.133 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.527 24.507 8.059 1.00 0.00 H new ATOM 824 N ASP A 51 -34.864 27.080 7.031 1.00 0.00 N ATOM 825 CA ASP A 51 -34.778 28.537 7.076 1.00 0.00 C ATOM 826 C ASP A 51 -35.876 29.149 6.223 1.00 0.00 C ATOM 827 O ASP A 51 -36.195 30.335 6.350 1.00 0.00 O ATOM 828 CB ASP A 51 -33.399 29.025 6.594 1.00 0.00 C ATOM 829 CG ASP A 51 -33.246 30.533 6.678 1.00 0.00 C ATOM 830 OD1 ASP A 51 -33.054 31.054 7.797 1.00 0.00 O ATOM 831 OD2 ASP A 51 -33.312 31.206 5.629 1.00 0.00 O1- ATOM 0 H ASP A 51 -34.328 26.646 6.279 1.00 0.00 H new ATOM 0 HA ASP A 51 -34.908 28.855 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -32.621 28.552 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -33.246 28.706 5.563 1.00 0.00 H new