USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HD1:sc= -1.77! C(o=-2.4!,f=-8.7!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= -0.675 X(o=-2.4,f=-2.4) USER MOD Set 1.3: A 38 LYS NZ :NH3+ 168:sc= 0.0762 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -160:sc= -0.0389 USER MOD Single : A 13 GLN : amide:sc= -0.0409 K(o=-0.041,f=-1.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0461 K(o=-0.046,f=-2.1!) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0255 (180deg=-0.485) USER MOD Single : A 30 SER OG : rot -30:sc= 0.77 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -0.184 (180deg=-1.09) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.924 17.159 13.112 1.00 0.00 N ATOM 2 CA GLY A 1 -21.328 16.666 13.198 1.00 0.00 C ATOM 3 C GLY A 1 -21.328 15.198 13.610 1.00 0.00 C ATOM 4 O GLY A 1 -21.058 14.867 14.767 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.924 18.160 12.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.464 17.060 14.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.403 16.601 12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.889 17.258 13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.826 16.784 12.236 1.00 0.00 H new ATOM 10 N SER A 2 -21.630 14.322 12.659 1.00 0.00 N ATOM 11 CA SER A 2 -21.662 12.891 12.935 1.00 0.00 C ATOM 12 C SER A 2 -20.286 12.389 13.379 1.00 0.00 C ATOM 13 O SER A 2 -20.187 11.555 14.280 1.00 0.00 O ATOM 14 CB SER A 2 -22.152 12.111 11.706 1.00 0.00 C ATOM 15 OG SER A 2 -22.153 10.721 12.004 1.00 0.00 O ATOM 0 H SER A 2 -21.855 14.575 11.697 1.00 0.00 H new ATOM 0 HA SER A 2 -22.364 12.721 13.751 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.155 12.437 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.505 12.311 10.852 1.00 0.00 H new ATOM 0 HG SER A 2 -22.467 10.219 11.223 1.00 0.00 H new ATOM 21 N VAL A 3 -19.224 12.896 12.751 1.00 0.00 N ATOM 22 CA VAL A 3 -17.873 12.475 13.112 1.00 0.00 C ATOM 23 C VAL A 3 -17.550 12.878 14.554 1.00 0.00 C ATOM 24 O VAL A 3 -16.933 12.112 15.292 1.00 0.00 O ATOM 25 CB VAL A 3 -16.828 13.058 12.134 1.00 0.00 C ATOM 26 CG1 VAL A 3 -15.417 12.805 12.673 1.00 0.00 C ATOM 27 CG2 VAL A 3 -16.960 12.373 10.767 1.00 0.00 C ATOM 0 H VAL A 3 -19.272 13.587 12.002 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.828 11.388 13.040 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.000 14.129 12.032 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -14.683 13.218 11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -15.308 13.285 13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -15.254 11.732 12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.222 12.787 10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -16.792 11.302 10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.961 12.543 10.370 1.00 0.00 H new ATOM 37 N GLU A 4 -17.965 14.079 14.953 1.00 0.00 N ATOM 38 CA GLU A 4 -17.700 14.550 16.310 1.00 0.00 C ATOM 39 C GLU A 4 -18.414 13.677 17.345 1.00 0.00 C ATOM 40 O GLU A 4 -17.882 13.434 18.429 1.00 0.00 O ATOM 41 CB GLU A 4 -18.127 16.020 16.474 1.00 0.00 C ATOM 42 CG GLU A 4 -17.180 16.914 15.672 1.00 0.00 C ATOM 43 CD GLU A 4 -17.685 18.353 15.688 1.00 0.00 C ATOM 44 OE1 GLU A 4 -18.808 18.561 16.113 1.00 0.00 O ATOM 45 OE2 GLU A 4 -16.940 19.226 15.275 1.00 0.00 O1- ATOM 0 H GLU A 4 -18.479 14.735 14.365 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.626 14.478 16.480 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -19.152 16.154 16.128 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.107 16.301 17.527 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.176 16.867 16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.110 16.555 14.645 1.00 0.00 H new ATOM 52 N LYS A 5 -19.619 13.214 17.014 1.00 0.00 N ATOM 53 CA LYS A 5 -20.385 12.381 17.941 1.00 0.00 C ATOM 54 C LYS A 5 -19.653 11.077 18.245 1.00 0.00 C ATOM 55 O LYS A 5 -19.673 10.600 19.381 1.00 0.00 O ATOM 56 CB LYS A 5 -21.768 12.067 17.361 1.00 0.00 C ATOM 57 CG LYS A 5 -22.619 13.342 17.358 1.00 0.00 C ATOM 58 CD LYS A 5 -23.935 13.110 16.601 1.00 0.00 C ATOM 59 CE LYS A 5 -24.860 12.190 17.407 1.00 0.00 C ATOM 60 NZ LYS A 5 -26.202 12.153 16.761 1.00 0.00 N1+ ATOM 0 H LYS A 5 -20.081 13.398 16.124 1.00 0.00 H new ATOM 0 HA LYS A 5 -20.500 12.941 18.869 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -21.670 11.679 16.347 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -22.256 11.292 17.953 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -22.831 13.647 18.383 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -22.063 14.156 16.892 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -24.430 14.064 16.418 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -23.728 12.666 15.627 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -24.440 11.186 17.457 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -24.947 12.550 18.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -26.832 11.530 17.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -26.602 13.113 16.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -26.110 11.791 15.791 1.00 0.00 H new ATOM 74 N LEU A 6 -19.022 10.496 17.228 1.00 0.00 N ATOM 75 CA LEU A 6 -18.298 9.233 17.413 1.00 0.00 C ATOM 76 C LEU A 6 -19.230 8.170 17.989 1.00 0.00 C ATOM 77 O LEU A 6 -18.797 7.282 18.720 1.00 0.00 O ATOM 78 CB LEU A 6 -17.113 9.434 18.366 1.00 0.00 C ATOM 79 CG LEU A 6 -16.105 10.423 17.763 1.00 0.00 C ATOM 80 CD1 LEU A 6 -15.033 10.742 18.810 1.00 0.00 C ATOM 81 CD2 LEU A 6 -15.435 9.813 16.516 1.00 0.00 C ATOM 0 H LEU A 6 -18.994 10.869 16.279 1.00 0.00 H new ATOM 0 HA LEU A 6 -17.929 8.904 16.441 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.469 9.807 19.326 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.625 8.478 18.557 1.00 0.00 H new ATOM 0 HG LEU A 6 -16.628 11.333 17.471 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.312 11.444 18.391 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -15.503 11.185 19.688 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -14.520 9.824 19.097 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -14.723 10.526 16.100 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -14.912 8.898 16.795 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -16.196 9.583 15.770 1.00 0.00 H new ATOM 93 N THR A 7 -20.513 8.263 17.654 1.00 0.00 N ATOM 94 CA THR A 7 -21.488 7.300 18.146 1.00 0.00 C ATOM 95 C THR A 7 -21.196 5.901 17.601 1.00 0.00 C ATOM 96 O THR A 7 -21.311 4.912 18.325 1.00 0.00 O ATOM 97 CB THR A 7 -22.904 7.732 17.753 1.00 0.00 C ATOM 98 OG1 THR A 7 -23.189 8.995 18.337 1.00 0.00 O ATOM 99 CG2 THR A 7 -23.914 6.697 18.252 1.00 0.00 C ATOM 0 H THR A 7 -20.898 8.989 17.049 1.00 0.00 H new ATOM 0 HA THR A 7 -21.415 7.267 19.233 1.00 0.00 H new ATOM 0 HB THR A 7 -22.973 7.808 16.668 1.00 0.00 H new ATOM 0 HG1 THR A 7 -24.159 9.131 18.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 -24.921 7.006 17.971 1.00 0.00 H new ATOM 0 HG22 THR A 7 -23.694 5.728 17.804 1.00 0.00 H new ATOM 0 HG23 THR A 7 -23.848 6.618 19.337 1.00 0.00 H new ATOM 107 N ALA A 8 -20.815 5.820 16.326 1.00 0.00 N ATOM 108 CA ALA A 8 -20.510 4.529 15.715 1.00 0.00 C ATOM 109 C ALA A 8 -19.201 3.983 16.266 1.00 0.00 C ATOM 110 O ALA A 8 -18.921 2.789 16.163 1.00 0.00 O ATOM 111 CB ALA A 8 -20.412 4.655 14.188 1.00 0.00 C ATOM 0 H ALA A 8 -20.712 6.622 15.704 1.00 0.00 H new ATOM 0 HA ALA A 8 -21.320 3.841 15.957 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -20.184 3.680 13.756 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -21.361 5.015 13.791 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.621 5.360 13.931 1.00 0.00 H new ATOM 117 N ASP A 9 -18.401 4.869 16.847 1.00 0.00 N ATOM 118 CA ASP A 9 -17.113 4.457 17.410 1.00 0.00 C ATOM 119 C ASP A 9 -17.317 3.450 18.541 1.00 0.00 C ATOM 120 O ASP A 9 -16.525 2.521 18.702 1.00 0.00 O ATOM 121 CB ASP A 9 -16.299 5.663 17.910 1.00 0.00 C ATOM 122 CG ASP A 9 -14.905 5.203 18.323 1.00 0.00 C ATOM 123 OD1 ASP A 9 -14.693 4.003 18.390 1.00 0.00 O ATOM 124 OD2 ASP A 9 -14.068 6.057 18.567 1.00 0.00 O1- ATOM 0 H ASP A 9 -18.613 5.862 16.942 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.545 3.980 16.611 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.227 6.416 17.126 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.804 6.130 18.755 1.00 0.00 H new ATOM 129 N ALA A 10 -18.379 3.634 19.326 1.00 0.00 N ATOM 130 CA ALA A 10 -18.658 2.722 20.437 1.00 0.00 C ATOM 131 C ALA A 10 -18.888 1.304 19.920 1.00 0.00 C ATOM 132 O ALA A 10 -18.598 0.330 20.615 1.00 0.00 O ATOM 133 CB ALA A 10 -19.879 3.190 21.246 1.00 0.00 C ATOM 0 H ALA A 10 -19.051 4.394 19.217 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.789 2.724 21.095 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.062 2.493 22.064 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.688 4.184 21.651 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.754 3.225 20.597 1.00 0.00 H new ATOM 139 N GLU A 11 -19.408 1.188 18.699 1.00 0.00 N ATOM 140 CA GLU A 11 -19.664 -0.126 18.114 1.00 0.00 C ATOM 141 C GLU A 11 -18.359 -0.911 17.964 1.00 0.00 C ATOM 142 O GLU A 11 -18.334 -2.124 18.170 1.00 0.00 O ATOM 143 CB GLU A 11 -20.382 -0.004 16.755 1.00 0.00 C ATOM 144 CG GLU A 11 -20.690 -1.402 16.211 1.00 0.00 C ATOM 145 CD GLU A 11 -21.462 -1.292 14.901 1.00 0.00 C ATOM 146 OE1 GLU A 11 -21.720 -0.177 14.480 1.00 0.00 O ATOM 147 OE2 GLU A 11 -21.782 -2.325 14.336 1.00 0.00 O1- ATOM 0 H GLU A 11 -19.657 1.977 18.103 1.00 0.00 H new ATOM 0 HA GLU A 11 -20.322 -0.671 18.791 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -21.305 0.564 16.869 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.756 0.542 16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.762 -1.952 16.051 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.273 -1.965 16.940 1.00 0.00 H new ATOM 154 N LEU A 12 -17.277 -0.218 17.608 1.00 0.00 N ATOM 155 CA LEU A 12 -15.984 -0.883 17.443 1.00 0.00 C ATOM 156 C LEU A 12 -15.517 -1.477 18.772 1.00 0.00 C ATOM 157 O LEU A 12 -14.920 -2.554 18.798 1.00 0.00 O ATOM 158 CB LEU A 12 -14.920 0.086 16.889 1.00 0.00 C ATOM 159 CG LEU A 12 -15.222 0.435 15.421 1.00 0.00 C ATOM 160 CD1 LEU A 12 -14.290 1.569 14.979 1.00 0.00 C ATOM 161 CD2 LEU A 12 -15.007 -0.796 14.513 1.00 0.00 C ATOM 0 H LEU A 12 -17.268 0.786 17.431 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.114 -1.689 16.720 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.901 0.996 17.489 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.932 -0.367 16.965 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.263 0.748 15.335 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.495 1.825 13.939 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.458 2.444 15.608 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.253 1.246 15.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.226 -0.528 13.479 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.972 -1.129 14.590 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.671 -1.601 14.828 1.00 0.00 H new ATOM 173 N GLN A 13 -15.792 -0.779 19.872 1.00 0.00 N ATOM 174 CA GLN A 13 -15.391 -1.270 21.190 1.00 0.00 C ATOM 175 C GLN A 13 -16.109 -2.579 21.517 1.00 0.00 C ATOM 176 O GLN A 13 -15.534 -3.469 22.146 1.00 0.00 O ATOM 177 CB GLN A 13 -15.665 -0.223 22.287 1.00 0.00 C ATOM 178 CG GLN A 13 -14.684 0.946 22.141 1.00 0.00 C ATOM 179 CD GLN A 13 -15.078 2.075 23.087 1.00 0.00 C ATOM 180 OE1 GLN A 13 -16.256 2.236 23.406 1.00 0.00 O ATOM 181 NE2 GLN A 13 -14.157 2.873 23.555 1.00 0.00 N ATOM 0 H GLN A 13 -16.283 0.115 19.879 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.317 -1.455 21.161 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.691 0.138 22.211 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.560 -0.678 23.272 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.670 0.611 22.362 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.684 1.305 21.112 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.182 2.737 23.289 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.413 3.632 24.187 1.00 0.00 H new ATOM 190 N ARG A 14 -17.367 -2.695 21.093 1.00 0.00 N ATOM 191 CA ARG A 14 -18.141 -3.907 21.356 1.00 0.00 C ATOM 192 C ARG A 14 -17.518 -5.109 20.648 1.00 0.00 C ATOM 193 O ARG A 14 -17.647 -6.243 21.110 1.00 0.00 O ATOM 194 CB ARG A 14 -19.595 -3.729 20.899 1.00 0.00 C ATOM 195 CG ARG A 14 -20.289 -2.705 21.799 1.00 0.00 C ATOM 196 CD ARG A 14 -21.691 -2.420 21.261 1.00 0.00 C ATOM 197 NE ARG A 14 -22.509 -3.628 21.316 1.00 0.00 N ATOM 198 CZ ARG A 14 -23.716 -3.665 20.763 1.00 0.00 C ATOM 199 NH1 ARG A 14 -24.429 -4.757 20.823 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -24.191 -2.611 20.158 1.00 0.00 N ATOM 0 H ARG A 14 -17.867 -1.974 20.572 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.129 -4.088 22.431 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -19.623 -3.396 19.861 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.121 -4.683 20.942 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -20.350 -3.084 22.819 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.708 -1.784 21.835 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.159 -1.629 21.847 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -21.628 -2.062 20.234 1.00 0.00 H new ATOM 0 HE ARG A 14 -22.148 -4.457 21.787 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -24.059 -5.582 21.295 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -25.356 -4.785 20.398 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -23.635 -1.757 20.109 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -25.118 -2.641 19.734 1.00 0.00 H new ATOM 214 N LEU A 15 -16.847 -4.859 19.527 1.00 0.00 N ATOM 215 CA LEU A 15 -16.215 -5.939 18.773 1.00 0.00 C ATOM 216 C LEU A 15 -15.083 -6.566 19.586 1.00 0.00 C ATOM 217 O LEU A 15 -14.760 -7.740 19.407 1.00 0.00 O ATOM 218 CB LEU A 15 -15.664 -5.419 17.436 1.00 0.00 C ATOM 219 CG LEU A 15 -16.815 -4.940 16.537 1.00 0.00 C ATOM 220 CD1 LEU A 15 -16.230 -4.297 15.275 1.00 0.00 C ATOM 221 CD2 LEU A 15 -17.720 -6.126 16.144 1.00 0.00 C ATOM 0 H LEU A 15 -16.727 -3.930 19.124 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.972 -6.697 18.571 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -14.968 -4.600 17.615 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.105 -6.208 16.933 1.00 0.00 H new ATOM 0 HG LEU A 15 -17.415 -4.211 17.081 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.041 -3.955 14.632 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.606 -3.448 15.555 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.627 -5.030 14.739 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.530 -5.770 15.508 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -17.133 -6.868 15.603 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.137 -6.579 17.043 1.00 0.00 H new ATOM 233 N LYS A 16 -14.484 -5.779 20.477 1.00 0.00 N ATOM 234 CA LYS A 16 -13.388 -6.279 21.304 1.00 0.00 C ATOM 235 C LYS A 16 -13.882 -7.389 22.229 1.00 0.00 C ATOM 236 O LYS A 16 -13.106 -8.251 22.645 1.00 0.00 O ATOM 237 CB LYS A 16 -12.780 -5.146 22.139 1.00 0.00 C ATOM 238 CG LYS A 16 -12.065 -4.157 21.216 1.00 0.00 C ATOM 239 CD LYS A 16 -11.458 -3.028 22.049 1.00 0.00 C ATOM 240 CE LYS A 16 -10.738 -2.042 21.127 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.153 -0.938 21.940 1.00 0.00 N1+ ATOM 0 H LYS A 16 -14.735 -4.804 20.644 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.621 -6.680 20.642 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.562 -4.635 22.701 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.078 -5.553 22.867 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.284 -4.668 20.653 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.767 -3.749 20.489 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.240 -2.514 22.609 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.759 -3.436 22.779 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.953 -2.554 20.571 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.436 -1.638 20.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.663 -0.267 21.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.912 -0.444 22.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.475 -1.332 22.623 1.00 0.00 H new ATOM 255 N ASN A 17 -15.173 -7.365 22.548 1.00 0.00 N ATOM 256 CA ASN A 17 -15.749 -8.381 23.424 1.00 0.00 C ATOM 257 C ASN A 17 -15.618 -9.767 22.796 1.00 0.00 C ATOM 258 O ASN A 17 -15.386 -10.753 23.496 1.00 0.00 O ATOM 259 CB ASN A 17 -17.225 -8.073 23.731 1.00 0.00 C ATOM 260 CG ASN A 17 -17.319 -6.863 24.654 1.00 0.00 C ATOM 261 OD1 ASN A 17 -16.351 -6.520 25.333 1.00 0.00 O ATOM 262 ND2 ASN A 17 -18.437 -6.192 24.721 1.00 0.00 N ATOM 0 H ASN A 17 -15.834 -6.662 22.218 1.00 0.00 H new ATOM 0 HA ASN A 17 -15.195 -8.368 24.363 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -17.766 -7.878 22.805 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -17.696 -8.937 24.200 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -18.510 -5.382 25.337 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -19.238 -6.478 24.158 1.00 0.00 H new ATOM 269 N GLU A 18 -15.761 -9.843 21.473 1.00 0.00 N ATOM 270 CA GLU A 18 -15.651 -11.125 20.779 1.00 0.00 C ATOM 271 C GLU A 18 -14.248 -11.710 20.960 1.00 0.00 C ATOM 272 O GLU A 18 -14.093 -12.922 21.105 1.00 0.00 O ATOM 273 CB GLU A 18 -15.987 -10.981 19.282 1.00 0.00 C ATOM 274 CG GLU A 18 -15.921 -12.355 18.609 1.00 0.00 C ATOM 275 CD GLU A 18 -16.320 -12.235 17.142 1.00 0.00 C ATOM 276 OE1 GLU A 18 -16.620 -11.132 16.718 1.00 0.00 O ATOM 277 OE2 GLU A 18 -16.320 -13.250 16.464 1.00 0.00 O1- ATOM 0 H GLU A 18 -15.951 -9.044 20.868 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.376 -11.809 21.219 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -16.982 -10.553 19.161 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.285 -10.297 18.805 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.912 -12.760 18.688 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.586 -13.052 19.120 1.00 0.00 H new ATOM 284 N ALA A 19 -13.230 -10.850 20.952 1.00 0.00 N ATOM 285 CA ALA A 19 -11.853 -11.316 21.116 1.00 0.00 C ATOM 286 C ALA A 19 -11.675 -11.988 22.476 1.00 0.00 C ATOM 287 O ALA A 19 -10.794 -12.829 22.648 1.00 0.00 O ATOM 288 CB ALA A 19 -10.856 -10.155 20.976 1.00 0.00 C ATOM 0 H ALA A 19 -13.329 -9.842 20.836 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.651 -12.042 20.329 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.840 -10.530 21.102 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.957 -9.706 19.988 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.063 -9.404 21.738 1.00 0.00 H new ATOM 294 N ALA A 20 -12.513 -11.612 23.439 1.00 0.00 N ATOM 295 CA ALA A 20 -12.427 -12.197 24.777 1.00 0.00 C ATOM 296 C ALA A 20 -12.697 -13.698 24.717 1.00 0.00 C ATOM 297 O ALA A 20 -12.253 -14.451 25.583 1.00 0.00 O ATOM 298 CB ALA A 20 -13.422 -11.529 25.738 1.00 0.00 C ATOM 0 H ALA A 20 -13.249 -10.916 23.323 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.418 -12.027 25.152 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.336 -11.984 26.725 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.201 -10.464 25.809 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.437 -11.664 25.363 1.00 0.00 H new ATOM 304 N GLU A 21 -13.425 -14.126 23.688 1.00 0.00 N ATOM 305 CA GLU A 21 -13.740 -15.545 23.530 1.00 0.00 C ATOM 306 C GLU A 21 -12.458 -16.359 23.354 1.00 0.00 C ATOM 307 O GLU A 21 -12.351 -17.476 23.863 1.00 0.00 O ATOM 308 CB GLU A 21 -14.696 -15.777 22.343 1.00 0.00 C ATOM 309 CG GLU A 21 -15.048 -17.265 22.250 1.00 0.00 C ATOM 310 CD GLU A 21 -16.046 -17.493 21.121 1.00 0.00 C ATOM 311 OE1 GLU A 21 -16.413 -16.526 20.476 1.00 0.00 O ATOM 312 OE2 GLU A 21 -16.429 -18.634 20.918 1.00 0.00 O1- ATOM 0 H GLU A 21 -13.804 -13.520 22.960 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.246 -15.880 24.436 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.603 -15.186 22.472 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.228 -15.445 21.416 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.146 -17.851 22.073 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.470 -17.607 23.195 1.00 0.00 H new ATOM 319 N GLU A 22 -11.485 -15.800 22.633 1.00 0.00 N ATOM 320 CA GLU A 22 -10.223 -16.499 22.408 1.00 0.00 C ATOM 321 C GLU A 22 -9.502 -16.752 23.733 1.00 0.00 C ATOM 322 O GLU A 22 -8.858 -17.785 23.907 1.00 0.00 O ATOM 323 CB GLU A 22 -9.317 -15.703 21.452 1.00 0.00 C ATOM 324 CG GLU A 22 -9.914 -15.735 20.044 1.00 0.00 C ATOM 325 CD GLU A 22 -9.118 -14.822 19.120 1.00 0.00 C ATOM 326 OE1 GLU A 22 -8.304 -14.064 19.624 1.00 0.00 O ATOM 327 OE2 GLU A 22 -9.332 -14.892 17.921 1.00 0.00 O1- ATOM 0 H GLU A 22 -11.546 -14.878 22.201 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.450 -17.460 21.946 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.222 -14.673 21.796 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.314 -16.130 21.444 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.904 -16.755 19.659 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.956 -15.416 20.074 1.00 0.00 H new ATOM 334 N ALA A 23 -9.611 -15.805 24.666 1.00 0.00 N ATOM 335 CA ALA A 23 -8.958 -15.958 25.966 1.00 0.00 C ATOM 336 C ALA A 23 -9.505 -17.182 26.695 1.00 0.00 C ATOM 337 O ALA A 23 -8.813 -17.785 27.517 1.00 0.00 O ATOM 338 CB ALA A 23 -9.150 -14.704 26.834 1.00 0.00 C ATOM 0 H ALA A 23 -10.136 -14.938 24.549 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.891 -16.094 25.790 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.654 -14.847 27.794 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.718 -13.841 26.327 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.214 -14.534 26.997 1.00 0.00 H new ATOM 344 N GLU A 24 -10.748 -17.551 26.390 1.00 0.00 N ATOM 345 CA GLU A 24 -11.365 -18.713 27.026 1.00 0.00 C ATOM 346 C GLU A 24 -10.579 -19.981 26.689 1.00 0.00 C ATOM 347 O GLU A 24 -10.429 -20.866 27.530 1.00 0.00 O ATOM 348 CB GLU A 24 -12.841 -18.863 26.606 1.00 0.00 C ATOM 349 CG GLU A 24 -13.463 -20.051 27.345 1.00 0.00 C ATOM 350 CD GLU A 24 -14.942 -20.163 26.997 1.00 0.00 C ATOM 351 OE1 GLU A 24 -15.412 -19.346 26.221 1.00 0.00 O ATOM 352 OE2 GLU A 24 -15.586 -21.064 27.509 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.341 -17.069 25.715 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.340 -18.560 28.105 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.390 -17.950 26.836 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.910 -19.014 25.529 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.946 -20.971 27.072 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.342 -19.924 28.421 1.00 0.00 H new ATOM 359 N LEU A 25 -10.079 -20.068 25.456 1.00 0.00 N ATOM 360 CA LEU A 25 -9.313 -21.237 25.037 1.00 0.00 C ATOM 361 C LEU A 25 -8.032 -21.365 25.864 1.00 0.00 C ATOM 362 O LEU A 25 -7.581 -22.474 26.149 1.00 0.00 O ATOM 363 CB LEU A 25 -8.967 -21.156 23.540 1.00 0.00 C ATOM 364 CG LEU A 25 -10.244 -21.286 22.695 1.00 0.00 C ATOM 365 CD1 LEU A 25 -9.904 -20.991 21.230 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.834 -22.708 22.817 1.00 0.00 C ATOM 0 H LEU A 25 -10.190 -19.351 24.739 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.929 -22.121 25.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.473 -20.209 23.324 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.266 -21.948 23.278 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.986 -20.574 23.057 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.804 -21.081 20.622 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.508 -19.979 21.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.157 -21.703 20.879 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.738 -22.780 22.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.103 -23.437 22.466 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.078 -22.912 23.859 1.00 0.00 H new ATOM 378 N GLU A 26 -7.446 -20.230 26.242 1.00 0.00 N ATOM 379 CA GLU A 26 -6.214 -20.242 27.027 1.00 0.00 C ATOM 380 C GLU A 26 -6.443 -20.886 28.395 1.00 0.00 C ATOM 381 O GLU A 26 -5.515 -21.432 28.991 1.00 0.00 O ATOM 382 CB GLU A 26 -5.681 -18.816 27.211 1.00 0.00 C ATOM 383 CG GLU A 26 -5.268 -18.245 25.853 1.00 0.00 C ATOM 384 CD GLU A 26 -4.038 -18.978 25.331 1.00 0.00 C ATOM 385 OE1 GLU A 26 -3.379 -19.631 26.123 1.00 0.00 O ATOM 386 OE2 GLU A 26 -3.772 -18.875 24.143 1.00 0.00 O1- ATOM 0 H GLU A 26 -7.800 -19.300 26.020 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.477 -20.832 26.482 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.446 -18.186 27.664 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.828 -18.820 27.890 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.089 -18.344 25.143 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.054 -17.180 25.947 1.00 0.00 H new ATOM 393 N ARG A 27 -7.676 -20.820 28.888 1.00 0.00 N ATOM 394 CA ARG A 27 -7.991 -21.404 30.189 1.00 0.00 C ATOM 395 C ARG A 27 -7.755 -22.915 30.171 1.00 0.00 C ATOM 396 O ARG A 27 -7.308 -23.491 31.162 1.00 0.00 O ATOM 397 CB ARG A 27 -9.442 -21.101 30.598 1.00 0.00 C ATOM 398 CG ARG A 27 -9.582 -19.609 30.907 1.00 0.00 C ATOM 399 CD ARG A 27 -11.028 -19.304 31.294 1.00 0.00 C ATOM 400 NE ARG A 27 -11.184 -17.886 31.595 1.00 0.00 N ATOM 401 CZ ARG A 27 -12.357 -17.386 31.964 1.00 0.00 C ATOM 402 NH1 ARG A 27 -12.471 -16.113 32.230 1.00 0.00 N1+ ATOM 403 NH2 ARG A 27 -13.399 -18.167 32.060 1.00 0.00 N ATOM 0 H ARG A 27 -8.463 -20.375 28.416 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.327 -20.952 30.926 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.124 -21.383 29.796 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.716 -21.692 31.472 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.910 -19.330 31.719 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.294 -19.018 30.038 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.696 -19.585 30.480 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.313 -19.900 32.161 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.377 -17.267 31.521 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.658 -15.501 32.154 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.373 -15.730 32.513 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.312 -19.162 31.851 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.300 -17.782 32.344 1.00 0.00 H new ATOM 417 N LEU A 28 -8.051 -23.556 29.040 1.00 0.00 N ATOM 418 CA LEU A 28 -7.856 -25.000 28.926 1.00 0.00 C ATOM 419 C LEU A 28 -6.375 -25.351 29.095 1.00 0.00 C ATOM 420 O LEU A 28 -6.041 -26.360 29.714 1.00 0.00 O ATOM 421 CB LEU A 28 -8.396 -25.530 27.580 1.00 0.00 C ATOM 422 CG LEU A 28 -8.175 -27.047 27.475 1.00 0.00 C ATOM 423 CD1 LEU A 28 -8.917 -27.774 28.610 1.00 0.00 C ATOM 424 CD2 LEU A 28 -8.706 -27.532 26.120 1.00 0.00 C ATOM 0 H LEU A 28 -8.421 -23.106 28.203 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.420 -25.485 29.723 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.459 -25.304 27.493 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.894 -25.025 26.755 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.110 -27.264 27.560 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.752 -28.848 28.523 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.541 -27.425 29.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.984 -27.564 28.540 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.555 -28.608 26.034 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.770 -27.308 26.045 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.171 -27.025 25.317 1.00 0.00 H new ATOM 436 N LYS A 29 -5.490 -24.518 28.545 1.00 0.00 N ATOM 437 CA LYS A 29 -4.056 -24.774 28.655 1.00 0.00 C ATOM 438 C LYS A 29 -3.617 -24.773 30.122 1.00 0.00 C ATOM 439 O LYS A 29 -2.784 -25.587 30.522 1.00 0.00 O ATOM 440 CB LYS A 29 -3.241 -23.744 27.845 1.00 0.00 C ATOM 441 CG LYS A 29 -1.747 -24.061 27.957 1.00 0.00 C ATOM 442 CD LYS A 29 -0.951 -23.065 27.110 1.00 0.00 C ATOM 443 CE LYS A 29 0.546 -23.338 27.273 1.00 0.00 C ATOM 444 NZ LYS A 29 0.861 -24.704 26.767 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.736 -23.674 28.027 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.861 -25.761 28.236 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.549 -23.764 26.800 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.438 -22.738 28.216 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.429 -24.005 28.998 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.554 -25.079 27.619 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.236 -23.154 26.062 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.181 -22.045 27.417 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.124 -22.594 26.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.830 -23.253 28.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.880 -24.776 26.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.593 -25.410 27.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.330 -24.881 25.890 1.00 0.00 H new ATOM 458 N SER A 30 -4.175 -23.865 30.923 1.00 0.00 N ATOM 459 CA SER A 30 -3.815 -23.793 32.336 1.00 0.00 C ATOM 460 C SER A 30 -4.202 -25.081 33.054 1.00 0.00 C ATOM 461 O SER A 30 -3.517 -25.517 33.980 1.00 0.00 O ATOM 462 CB SER A 30 -4.517 -22.607 33.000 1.00 0.00 C ATOM 463 OG SER A 30 -5.924 -22.806 32.952 1.00 0.00 O ATOM 0 H SER A 30 -4.868 -23.179 30.622 1.00 0.00 H new ATOM 0 HA SER A 30 -2.736 -23.659 32.407 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.187 -22.507 34.034 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.252 -21.681 32.490 1.00 0.00 H new ATOM 0 HG SER A 30 -6.154 -23.326 32.154 1.00 0.00 H new ATOM 469 N GLU A 31 -5.302 -25.688 32.621 1.00 0.00 N ATOM 470 CA GLU A 31 -5.770 -26.928 33.232 1.00 0.00 C ATOM 471 C GLU A 31 -4.745 -28.045 33.041 1.00 0.00 C ATOM 472 O GLU A 31 -4.564 -28.882 33.924 1.00 0.00 O ATOM 473 CB GLU A 31 -7.131 -27.350 32.653 1.00 0.00 C ATOM 474 CG GLU A 31 -8.211 -26.376 33.129 1.00 0.00 C ATOM 475 CD GLU A 31 -9.534 -26.689 32.439 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.523 -27.468 31.502 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.541 -26.144 32.862 1.00 0.00 O1- ATOM 0 H GLU A 31 -5.883 -25.345 31.855 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.894 -26.747 34.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.088 -27.359 31.564 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.375 -28.364 32.970 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.329 -26.450 34.210 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.911 -25.351 32.910 1.00 0.00 H new ATOM 484 N ARG A 32 -4.079 -28.057 31.885 1.00 0.00 N ATOM 485 CA ARG A 32 -3.074 -29.087 31.598 1.00 0.00 C ATOM 486 C ARG A 32 -3.695 -30.478 31.669 1.00 0.00 C ATOM 487 O ARG A 32 -3.970 -31.097 30.641 1.00 0.00 O ATOM 488 CB ARG A 32 -1.921 -28.986 32.601 1.00 0.00 C ATOM 489 CG ARG A 32 -0.813 -29.965 32.205 1.00 0.00 C ATOM 490 CD ARG A 32 0.361 -29.826 33.176 1.00 0.00 C ATOM 491 NE ARG A 32 1.439 -30.735 32.800 1.00 0.00 N ATOM 492 CZ ARG A 32 1.426 -32.011 33.172 1.00 0.00 C ATOM 493 NH1 ARG A 32 2.402 -32.802 32.823 1.00 0.00 N1+ ATOM 494 NH2 ARG A 32 0.436 -32.471 33.888 1.00 0.00 N ATOM 0 H ARG A 32 -4.213 -27.375 31.139 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.693 -28.925 30.590 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.531 -27.968 32.622 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.278 -29.211 33.606 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.193 -30.987 32.221 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.482 -29.764 31.186 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.725 -28.798 33.173 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.030 -30.044 34.191 1.00 0.00 H new ATOM 0 HE ARG A 32 2.217 -30.385 32.241 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.176 -32.442 32.264 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.392 -33.781 33.109 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.327 -31.851 34.161 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.425 -33.450 34.174 1.00 0.00 H new ATOM 508 N HIS A 33 -3.919 -30.965 32.887 1.00 0.00 N ATOM 509 CA HIS A 33 -4.516 -32.289 33.084 1.00 0.00 C ATOM 510 C HIS A 33 -6.035 -32.174 33.234 1.00 0.00 C ATOM 511 O HIS A 33 -6.743 -31.941 32.254 1.00 0.00 O ATOM 512 CB HIS A 33 -3.907 -32.960 34.323 1.00 0.00 C ATOM 513 CG HIS A 33 -4.357 -34.394 34.394 1.00 0.00 C ATOM 514 ND1 HIS A 33 -5.591 -34.757 34.910 1.00 0.00 N ATOM 515 CD2 HIS A 33 -3.746 -35.566 34.024 1.00 0.00 C ATOM 516 CE1 HIS A 33 -5.682 -36.097 34.838 1.00 0.00 C ATOM 517 NE2 HIS A 33 -4.584 -36.640 34.305 1.00 0.00 N ATOM 0 H HIS A 33 -3.698 -30.468 33.750 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.302 -32.903 32.209 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.819 -32.912 34.277 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.212 -32.428 35.224 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.764 -35.643 33.582 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.538 -36.665 35.171 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.400 -37.629 34.140 1.00 0.00 H new ATOM 525 N ASP A 34 -6.532 -32.324 34.459 1.00 0.00 N ATOM 526 CA ASP A 34 -7.971 -32.220 34.704 1.00 0.00 C ATOM 527 C ASP A 34 -8.753 -33.106 33.738 1.00 0.00 C ATOM 528 O ASP A 34 -9.747 -32.673 33.152 1.00 0.00 O ATOM 529 CB ASP A 34 -8.421 -30.767 34.537 1.00 0.00 C ATOM 530 CG ASP A 34 -9.846 -30.601 35.053 1.00 0.00 C ATOM 531 OD1 ASP A 34 -10.495 -31.608 35.281 1.00 0.00 O ATOM 532 OD2 ASP A 34 -10.270 -29.467 35.213 1.00 0.00 O1- ATOM 0 H ASP A 34 -5.970 -32.515 35.288 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.169 -32.554 35.723 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.749 -30.104 35.082 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.370 -30.480 33.487 1.00 0.00 H new ATOM 537 N HIS A 35 -8.305 -34.351 33.577 1.00 0.00 N ATOM 538 CA HIS A 35 -8.976 -35.296 32.681 1.00 0.00 C ATOM 539 C HIS A 35 -9.847 -36.262 33.479 1.00 0.00 C ATOM 540 O HIS A 35 -10.383 -37.227 32.933 1.00 0.00 O ATOM 541 CB HIS A 35 -7.941 -36.089 31.878 1.00 0.00 C ATOM 542 CG HIS A 35 -7.128 -35.144 31.036 1.00 0.00 C ATOM 543 ND1 HIS A 35 -7.663 -34.482 29.943 1.00 0.00 N ATOM 544 CD2 HIS A 35 -5.817 -34.745 31.111 1.00 0.00 C ATOM 545 CE1 HIS A 35 -6.686 -33.726 29.409 1.00 0.00 C ATOM 546 NE2 HIS A 35 -5.540 -33.849 30.082 1.00 0.00 N ATOM 0 H HIS A 35 -7.485 -34.728 34.052 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.607 -34.729 31.997 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.289 -36.644 32.553 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.441 -36.821 31.243 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.108 -35.076 31.855 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.814 -33.096 28.541 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.653 -33.386 29.885 1.00 0.00 H new ATOM 554 N ASP A 36 -9.982 -35.996 34.773 1.00 0.00 N ATOM 555 CA ASP A 36 -10.794 -36.850 35.639 1.00 0.00 C ATOM 556 C ASP A 36 -12.252 -36.842 35.185 1.00 0.00 C ATOM 557 O ASP A 36 -12.934 -37.866 35.252 1.00 0.00 O ATOM 558 CB ASP A 36 -10.686 -36.419 37.113 1.00 0.00 C ATOM 559 CG ASP A 36 -11.454 -37.396 37.996 1.00 0.00 C ATOM 560 OD1 ASP A 36 -12.142 -38.244 37.450 1.00 0.00 O ATOM 561 OD2 ASP A 36 -11.344 -37.283 39.206 1.00 0.00 O1- ATOM 0 H ASP A 36 -9.545 -35.204 35.245 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.409 -37.867 35.560 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.639 -36.387 37.416 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.085 -35.412 37.237 1.00 0.00 H new ATOM 566 N LYS A 37 -12.730 -35.690 34.721 1.00 0.00 N ATOM 567 CA LYS A 37 -14.110 -35.581 34.263 1.00 0.00 C ATOM 568 C LYS A 37 -14.352 -36.515 33.079 1.00 0.00 C ATOM 569 O LYS A 37 -15.447 -37.059 32.924 1.00 0.00 O ATOM 570 CB LYS A 37 -14.446 -34.133 33.875 1.00 0.00 C ATOM 571 CG LYS A 37 -14.479 -33.264 35.133 1.00 0.00 C ATOM 572 CD LYS A 37 -14.814 -31.821 34.751 1.00 0.00 C ATOM 573 CE LYS A 37 -14.854 -30.954 36.011 1.00 0.00 C ATOM 574 NZ LYS A 37 -15.172 -29.548 35.636 1.00 0.00 N1+ ATOM 0 H LYS A 37 -12.188 -34.828 34.653 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.764 -35.876 35.083 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.703 -33.751 33.175 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.410 -34.095 33.368 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.222 -33.647 35.833 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.514 -33.302 35.639 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.069 -31.436 34.055 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.776 -31.783 34.240 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.604 -31.335 36.704 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.894 -30.996 36.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.199 -28.958 36.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.441 -29.187 34.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.098 -29.516 35.164 1.00 0.00 H new ATOM 588 N LYS A 38 -13.331 -36.699 32.242 1.00 0.00 N ATOM 589 CA LYS A 38 -13.463 -37.571 31.079 1.00 0.00 C ATOM 590 C LYS A 38 -13.755 -39.008 31.512 1.00 0.00 C ATOM 591 O LYS A 38 -14.519 -39.714 30.856 1.00 0.00 O ATOM 592 CB LYS A 38 -12.197 -37.520 30.208 1.00 0.00 C ATOM 593 CG LYS A 38 -12.101 -36.147 29.537 1.00 0.00 C ATOM 594 CD LYS A 38 -10.841 -36.088 28.670 1.00 0.00 C ATOM 595 CE LYS A 38 -10.750 -34.719 27.996 1.00 0.00 C ATOM 596 NZ LYS A 38 -9.520 -34.659 27.158 1.00 0.00 N1+ ATOM 0 H LYS A 38 -12.415 -36.262 32.346 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.302 -37.212 30.483 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.313 -37.702 30.819 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.229 -38.305 29.453 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.985 -35.967 28.925 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.072 -35.362 30.293 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.957 -36.263 29.283 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.868 -36.875 27.917 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.632 -34.546 27.379 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.728 -33.932 28.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.558 -33.819 26.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.683 -34.602 27.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.459 -35.514 26.569 1.00 0.00 H new ATOM 610 N GLU A 39 -13.148 -39.441 32.617 1.00 0.00 N ATOM 611 CA GLU A 39 -13.366 -40.798 33.111 1.00 0.00 C ATOM 612 C GLU A 39 -14.832 -41.002 33.494 1.00 0.00 C ATOM 613 O GLU A 39 -15.385 -42.086 33.301 1.00 0.00 O ATOM 614 CB GLU A 39 -12.455 -41.097 34.313 1.00 0.00 C ATOM 615 CG GLU A 39 -11.004 -41.195 33.839 1.00 0.00 C ATOM 616 CD GLU A 39 -10.071 -41.329 35.038 1.00 0.00 C ATOM 617 OE1 GLU A 39 -10.534 -41.130 36.148 1.00 0.00 O ATOM 618 OE2 GLU A 39 -8.907 -41.630 34.827 1.00 0.00 O1- ATOM 0 H GLU A 39 -12.510 -38.879 33.180 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.115 -41.493 32.309 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.552 -40.311 35.062 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.757 -42.030 34.789 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.886 -42.054 33.178 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.741 -40.309 33.261 1.00 0.00 H new ATOM 625 N ALA A 40 -15.459 -39.959 34.037 1.00 0.00 N ATOM 626 CA ALA A 40 -16.864 -40.048 34.440 1.00 0.00 C ATOM 627 C ALA A 40 -17.762 -40.277 33.227 1.00 0.00 C ATOM 628 O ALA A 40 -18.898 -40.728 33.363 1.00 0.00 O ATOM 629 CB ALA A 40 -17.304 -38.769 35.167 1.00 0.00 C ATOM 0 H ALA A 40 -15.024 -39.052 34.207 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.960 -40.895 35.119 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.351 -38.857 35.457 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.691 -38.628 36.057 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.182 -37.913 34.503 1.00 0.00 H new ATOM 635 N GLU A 41 -17.248 -39.956 32.044 1.00 0.00 N ATOM 636 CA GLU A 41 -18.025 -40.128 30.818 1.00 0.00 C ATOM 637 C GLU A 41 -18.414 -41.595 30.625 1.00 0.00 C ATOM 638 O GLU A 41 -19.516 -41.890 30.165 1.00 0.00 O ATOM 639 CB GLU A 41 -17.252 -39.611 29.588 1.00 0.00 C ATOM 640 CG GLU A 41 -18.127 -39.745 28.339 1.00 0.00 C ATOM 641 CD GLU A 41 -17.398 -39.170 27.129 1.00 0.00 C ATOM 642 OE1 GLU A 41 -16.281 -38.708 27.299 1.00 0.00 O ATOM 643 OE2 GLU A 41 -17.966 -39.201 26.049 1.00 0.00 O1- ATOM 0 H GLU A 41 -16.310 -39.580 31.907 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.935 -39.537 30.917 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.968 -38.569 29.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -16.330 -40.178 29.461 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -18.368 -40.794 28.164 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.071 -39.221 28.488 1.00 0.00 H new ATOM 650 N ARG A 42 -17.516 -42.514 30.976 1.00 0.00 N ATOM 651 CA ARG A 42 -17.807 -43.936 30.825 1.00 0.00 C ATOM 652 C ARG A 42 -18.999 -44.336 31.701 1.00 0.00 C ATOM 653 O ARG A 42 -19.808 -45.178 31.310 1.00 0.00 O ATOM 654 CB ARG A 42 -16.580 -44.796 31.178 1.00 0.00 C ATOM 655 CG ARG A 42 -15.497 -44.615 30.111 1.00 0.00 C ATOM 656 CD ARG A 42 -14.393 -45.652 30.325 1.00 0.00 C ATOM 657 NE ARG A 42 -13.733 -45.431 31.609 1.00 0.00 N ATOM 658 CZ ARG A 42 -12.708 -44.589 31.727 1.00 0.00 C ATOM 659 NH1 ARG A 42 -12.134 -44.419 32.886 1.00 0.00 N1+ ATOM 660 NH2 ARG A 42 -12.278 -43.933 30.684 1.00 0.00 N ATOM 0 H ARG A 42 -16.595 -42.303 31.361 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.060 -44.115 29.780 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.192 -44.509 32.155 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.867 -45.846 31.244 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.929 -44.727 29.116 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.081 -43.609 30.166 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.816 -46.656 30.294 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.664 -45.589 29.518 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.064 -45.932 32.433 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.470 -44.931 33.702 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.349 -43.774 32.977 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.727 -44.065 29.778 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.493 -43.288 30.775 1.00 0.00 H new ATOM 674 N LYS A 43 -19.098 -43.733 32.886 1.00 0.00 N ATOM 675 CA LYS A 43 -20.196 -44.046 33.805 1.00 0.00 C ATOM 676 C LYS A 43 -21.535 -43.598 33.224 1.00 0.00 C ATOM 677 O LYS A 43 -22.589 -44.108 33.606 1.00 0.00 O ATOM 678 CB LYS A 43 -19.975 -43.367 35.169 1.00 0.00 C ATOM 679 CG LYS A 43 -18.897 -44.111 35.969 1.00 0.00 C ATOM 680 CD LYS A 43 -17.669 -44.380 35.093 1.00 0.00 C ATOM 681 CE LYS A 43 -16.501 -44.825 35.975 1.00 0.00 C ATOM 682 NZ LYS A 43 -16.149 -43.729 36.923 1.00 0.00 N1+ ATOM 0 H LYS A 43 -18.441 -43.033 33.231 1.00 0.00 H new ATOM 0 HA LYS A 43 -20.214 -45.127 33.944 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.676 -42.329 35.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -20.909 -43.353 35.731 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.608 -43.520 36.839 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.298 -45.053 36.342 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.896 -45.150 34.356 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.399 -43.480 34.540 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.771 -45.725 36.527 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.639 -45.076 35.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.120 -43.577 36.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.632 -42.854 36.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.449 -43.991 37.884 1.00 0.00 H new ATOM 696 N ALA A 44 -21.492 -42.636 32.308 1.00 0.00 N ATOM 697 CA ALA A 44 -22.719 -42.125 31.695 1.00 0.00 C ATOM 698 C ALA A 44 -23.459 -43.239 30.956 1.00 0.00 C ATOM 699 O ALA A 44 -24.667 -43.153 30.739 1.00 0.00 O ATOM 700 CB ALA A 44 -22.410 -40.979 30.719 1.00 0.00 C ATOM 0 H ALA A 44 -20.634 -42.197 31.975 1.00 0.00 H new ATOM 0 HA ALA A 44 -23.354 -41.745 32.495 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -23.338 -40.617 30.277 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -21.922 -40.165 31.256 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -21.750 -41.341 29.931 1.00 0.00 H new ATOM 706 N LEU A 45 -22.730 -44.280 30.571 1.00 0.00 N ATOM 707 CA LEU A 45 -23.332 -45.403 29.857 1.00 0.00 C ATOM 708 C LEU A 45 -24.340 -46.128 30.748 1.00 0.00 C ATOM 709 O LEU A 45 -25.328 -46.675 30.259 1.00 0.00 O ATOM 710 CB LEU A 45 -22.253 -46.388 29.378 1.00 0.00 C ATOM 711 CG LEU A 45 -21.373 -45.727 28.305 1.00 0.00 C ATOM 712 CD1 LEU A 45 -20.202 -46.658 27.979 1.00 0.00 C ATOM 713 CD2 LEU A 45 -22.193 -45.451 27.026 1.00 0.00 C ATOM 0 H LEU A 45 -21.728 -44.371 30.739 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.853 -45.006 28.986 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.638 -46.703 30.221 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.722 -47.285 28.973 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.998 -44.776 28.685 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.572 -46.197 27.218 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -19.614 -46.833 28.880 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -20.585 -47.608 27.606 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -21.553 -44.983 26.278 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -22.583 -46.390 26.634 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.023 -44.785 27.262 1.00 0.00 H new ATOM 725 N GLU A 46 -24.085 -46.137 32.056 1.00 0.00 N ATOM 726 CA GLU A 46 -24.980 -46.809 32.993 1.00 0.00 C ATOM 727 C GLU A 46 -26.373 -46.179 32.962 1.00 0.00 C ATOM 728 O GLU A 46 -27.376 -46.882 33.091 1.00 0.00 O ATOM 729 CB GLU A 46 -24.411 -46.766 34.421 1.00 0.00 C ATOM 730 CG GLU A 46 -23.183 -47.676 34.505 1.00 0.00 C ATOM 731 CD GLU A 46 -22.506 -47.514 35.862 1.00 0.00 C ATOM 732 OE1 GLU A 46 -22.853 -46.582 36.567 1.00 0.00 O ATOM 733 OE2 GLU A 46 -21.649 -48.325 36.174 1.00 0.00 O1- ATOM 0 H GLU A 46 -23.275 -45.691 32.486 1.00 0.00 H new ATOM 0 HA GLU A 46 -25.064 -47.851 32.685 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -24.139 -45.744 34.686 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -25.167 -47.090 35.136 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -23.479 -48.715 34.359 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -22.482 -47.429 33.708 1.00 0.00 H new ATOM 740 N ASP A 47 -26.438 -44.859 32.791 1.00 0.00 N ATOM 741 CA ASP A 47 -27.731 -44.170 32.747 1.00 0.00 C ATOM 742 C ASP A 47 -28.557 -44.502 33.989 1.00 0.00 C ATOM 743 O ASP A 47 -29.776 -44.656 33.908 1.00 0.00 O ATOM 744 CB ASP A 47 -28.503 -44.596 31.496 1.00 0.00 C ATOM 745 CG ASP A 47 -27.822 -44.045 30.248 1.00 0.00 C ATOM 746 OD1 ASP A 47 -27.004 -43.151 30.390 1.00 0.00 O ATOM 747 OD2 ASP A 47 -28.128 -44.524 29.169 1.00 0.00 O1- ATOM 0 H ASP A 47 -25.626 -44.252 32.682 1.00 0.00 H new ATOM 0 HA ASP A 47 -27.550 -43.096 32.719 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -28.553 -45.684 31.443 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.529 -44.232 31.551 1.00 0.00 H new ATOM 752 N LYS A 48 -27.890 -44.608 35.137 1.00 0.00 N ATOM 753 CA LYS A 48 -28.588 -44.918 36.385 1.00 0.00 C ATOM 754 C LYS A 48 -29.609 -43.831 36.719 1.00 0.00 C ATOM 755 O LYS A 48 -30.699 -44.129 37.211 1.00 0.00 O ATOM 756 CB LYS A 48 -27.599 -45.101 37.550 1.00 0.00 C ATOM 757 CG LYS A 48 -28.382 -45.438 38.824 1.00 0.00 C ATOM 758 CD LYS A 48 -27.425 -45.885 39.939 1.00 0.00 C ATOM 759 CE LYS A 48 -26.616 -44.691 40.457 1.00 0.00 C ATOM 760 NZ LYS A 48 -25.847 -45.104 41.664 1.00 0.00 N1+ ATOM 0 H LYS A 48 -26.882 -44.486 35.230 1.00 0.00 H new ATOM 0 HA LYS A 48 -29.117 -45.860 36.241 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -26.892 -45.898 37.321 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -27.017 -44.191 37.696 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -28.949 -44.567 39.151 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -29.103 -46.229 38.617 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -27.991 -46.331 40.756 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -26.750 -46.654 39.562 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -25.936 -44.334 39.683 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -27.283 -43.864 40.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -25.297 -44.296 42.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.506 -45.425 42.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -25.201 -45.880 41.415 1.00 0.00 H new ATOM 774 N LEU A 49 -29.258 -42.572 36.458 1.00 0.00 N ATOM 775 CA LEU A 49 -30.165 -41.463 36.745 1.00 0.00 C ATOM 776 C LEU A 49 -31.407 -41.543 35.860 1.00 0.00 C ATOM 777 O LEU A 49 -32.481 -41.080 36.244 1.00 0.00 O ATOM 778 CB LEU A 49 -29.457 -40.117 36.527 1.00 0.00 C ATOM 779 CG LEU A 49 -28.325 -39.944 37.550 1.00 0.00 C ATOM 780 CD1 LEU A 49 -27.524 -38.684 37.198 1.00 0.00 C ATOM 781 CD2 LEU A 49 -28.896 -39.816 38.977 1.00 0.00 C ATOM 0 H LEU A 49 -28.363 -42.297 36.053 1.00 0.00 H new ATOM 0 HA LEU A 49 -30.470 -41.537 37.789 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -29.054 -40.069 35.515 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -30.173 -39.301 36.624 1.00 0.00 H new ATOM 0 HG LEU A 49 -27.677 -40.820 37.517 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -26.717 -38.552 37.919 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -27.103 -38.788 36.198 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -28.181 -37.815 37.227 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -28.078 -39.694 39.687 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.554 -38.948 39.029 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.461 -40.715 39.225 1.00 0.00 H new ATOM 793 N ALA A 50 -31.257 -42.128 34.673 1.00 0.00 N ATOM 794 CA ALA A 50 -32.385 -42.253 33.751 1.00 0.00 C ATOM 795 C ALA A 50 -33.493 -43.099 34.372 1.00 0.00 C ATOM 796 O ALA A 50 -34.664 -42.953 34.024 1.00 0.00 O ATOM 797 CB ALA A 50 -31.941 -42.877 32.419 1.00 0.00 C ATOM 0 H ALA A 50 -30.379 -42.518 34.330 1.00 0.00 H new ATOM 0 HA ALA A 50 -32.768 -41.251 33.556 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -32.799 -42.959 31.752 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -31.181 -42.247 31.957 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -31.528 -43.869 32.602 1.00 0.00 H new ATOM 803 N ASP A 51 -33.120 -43.983 35.296 1.00 0.00 N ATOM 804 CA ASP A 51 -34.102 -44.843 35.950 1.00 0.00 C ATOM 805 C ASP A 51 -35.122 -44.002 36.721 1.00 0.00 C ATOM 806 O ASP A 51 -36.305 -44.338 36.759 1.00 0.00 O ATOM 807 CB ASP A 51 -33.417 -45.844 36.896 1.00 0.00 C ATOM 808 CG ASP A 51 -32.671 -46.897 36.084 1.00 0.00 C ATOM 809 OD1 ASP A 51 -32.906 -46.974 34.889 1.00 0.00 O ATOM 810 OD2 ASP A 51 -31.875 -47.613 36.669 1.00 0.00 O1- ATOM 0 H ASP A 51 -32.158 -44.121 35.605 1.00 0.00 H new ATOM 0 HA ASP A 51 -34.623 -45.406 35.176 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -32.723 -45.320 37.554 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -34.160 -46.323 37.533 1.00 0.00 H new ATOM 815 N TYR A 52 -34.664 -42.908 37.330 1.00 0.00 N ATOM 816 CA TYR A 52 -35.564 -42.038 38.088 1.00 0.00 C ATOM 817 C TYR A 52 -36.384 -42.856 39.081 1.00 0.00 C ATOM 818 O TYR A 52 -36.212 -44.064 39.109 1.00 0.00 O ATOM 819 CB TYR A 52 -36.505 -41.305 37.128 1.00 0.00 C ATOM 820 CG TYR A 52 -37.482 -40.465 37.917 1.00 0.00 C ATOM 821 CD1 TYR A 52 -37.074 -39.240 38.457 1.00 0.00 C ATOM 822 CD2 TYR A 52 -38.797 -40.911 38.109 1.00 0.00 C ATOM 823 CE1 TYR A 52 -37.978 -38.460 39.188 1.00 0.00 C ATOM 824 CE2 TYR A 52 -39.701 -40.130 38.840 1.00 0.00 C ATOM 825 CZ TYR A 52 -39.291 -38.906 39.380 1.00 0.00 C ATOM 826 OH TYR A 52 -40.183 -38.136 40.100 1.00 0.00 O ATOM 827 OXT TYR A 52 -37.169 -42.262 39.801 1.00 0.00 O ATOM 0 H TYR A 52 -33.690 -42.606 37.315 1.00 0.00 H new ATOM 0 HA TYR A 52 -34.966 -41.312 38.638 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -35.930 -40.673 36.452 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -37.044 -42.024 36.511 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -36.061 -38.896 38.310 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -39.113 -41.856 37.693 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -37.663 -37.514 39.604 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -40.715 -40.473 38.987 1.00 0.00 H new ATOM 0 HH TYR A 52 -41.051 -38.590 40.138 1.00 0.00 H new TER 837 TYR A 52