USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 5 LYS NZ :NH3+ -149:sc= 0.382! (180deg=0.287) USER MOD Set 1.2: A 13 GLN : amide:sc= 0.533 K(o=0.91,f=-3.8) USER MOD Single : A 1 GLY N :NH3+ 157:sc= 1.87 (180deg=1.08) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0559 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0.859) USER MOD Single : A 17 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.17) USER MOD Single : A 20 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0.019) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.135) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0.101 K(o=0.1,f=-0.96) USER MOD Single : A 35 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-4.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc=-0.00747 (180deg=-0.139) USER MOD Single : A 43 LYS NZ :NH3+ -107:sc= 1.49 (180deg=0.313) 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 3.278 -13.262 7.746 1.00 0.00 N ATOM 2 CA GLY A 1 4.250 -14.216 8.295 1.00 0.00 C ATOM 3 C GLY A 1 3.873 -15.643 7.993 1.00 0.00 C ATOM 4 O GLY A 1 3.359 -15.943 6.912 1.00 0.00 O ATOM 0 H1 GLY A 1 3.333 -12.368 8.274 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.492 -13.086 6.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.319 -13.656 7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.237 -14.007 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.321 -14.080 9.374 1.00 0.00 H new ATOM 10 N SER A 2 4.126 -16.525 8.937 1.00 0.00 N ATOM 11 CA SER A 2 3.807 -17.922 8.772 1.00 0.00 C ATOM 12 C SER A 2 2.577 -18.291 9.596 1.00 0.00 C ATOM 13 O SER A 2 2.117 -17.507 10.432 1.00 0.00 O ATOM 14 CB SER A 2 5.012 -18.788 9.174 1.00 0.00 C ATOM 15 OG SER A 2 4.809 -20.154 8.831 1.00 0.00 O ATOM 0 H SER A 2 4.555 -16.293 9.833 1.00 0.00 H new ATOM 0 HA SER A 2 3.579 -18.109 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.910 -18.417 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.181 -18.702 10.247 1.00 0.00 H new ATOM 0 HG SER A 2 5.593 -20.678 9.098 1.00 0.00 H new ATOM 21 N VAL A 3 2.060 -19.484 9.355 1.00 0.00 N ATOM 22 CA VAL A 3 0.894 -19.977 10.060 1.00 0.00 C ATOM 23 C VAL A 3 1.269 -20.214 11.544 1.00 0.00 C ATOM 24 O VAL A 3 1.921 -21.219 11.846 1.00 0.00 O ATOM 25 CB VAL A 3 0.407 -21.313 9.453 1.00 0.00 C ATOM 26 CG1 VAL A 3 -0.870 -21.777 10.133 1.00 0.00 C ATOM 27 CG2 VAL A 3 0.196 -21.172 7.952 1.00 0.00 C ATOM 0 H VAL A 3 2.437 -20.135 8.666 1.00 0.00 H new ATOM 0 HA VAL A 3 0.096 -19.239 9.974 1.00 0.00 H new ATOM 0 HB VAL A 3 1.176 -22.067 9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.196 -22.719 9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.684 -21.921 11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.648 -21.025 9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.147 -22.122 7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.552 -20.403 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.136 -20.890 7.477 1.00 0.00 H new ATOM 37 N GLU A 4 0.890 -19.273 12.463 1.00 0.00 N ATOM 38 CA GLU A 4 1.274 -19.355 13.868 1.00 0.00 C ATOM 39 C GLU A 4 2.788 -19.076 13.965 1.00 0.00 C ATOM 40 O GLU A 4 3.590 -20.004 14.043 1.00 0.00 O ATOM 41 CB GLU A 4 0.936 -20.733 14.470 1.00 0.00 C ATOM 42 CG GLU A 4 1.151 -20.817 15.970 1.00 0.00 C ATOM 43 CD GLU A 4 0.816 -22.175 16.523 1.00 0.00 C ATOM 44 OE1 GLU A 4 1.734 -23.009 16.643 1.00 0.00 O ATOM 45 OE2 GLU A 4 -0.366 -22.418 16.841 1.00 0.00 O ATOM 0 H GLU A 4 0.320 -18.459 12.234 1.00 0.00 H new ATOM 0 HA GLU A 4 0.713 -18.617 14.441 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.104 -20.971 14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.547 -21.492 13.982 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.190 -20.581 16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.537 -20.065 16.465 1.00 0.00 H new ATOM 52 N LYS A 5 3.172 -17.784 13.909 1.00 0.00 N ATOM 53 CA LYS A 5 4.567 -17.383 13.852 1.00 0.00 C ATOM 54 C LYS A 5 5.346 -17.834 15.092 1.00 0.00 C ATOM 55 O LYS A 5 6.085 -18.815 15.040 1.00 0.00 O ATOM 56 CB LYS A 5 4.641 -15.860 13.654 1.00 0.00 C ATOM 57 CG LYS A 5 3.660 -15.356 12.589 1.00 0.00 C ATOM 58 CD LYS A 5 3.589 -13.837 12.525 1.00 0.00 C ATOM 59 CE LYS A 5 2.415 -13.387 11.662 1.00 0.00 C ATOM 60 NZ LYS A 5 2.311 -11.908 11.556 1.00 0.00 N ATOM 0 H LYS A 5 2.516 -17.003 13.903 1.00 0.00 H new ATOM 0 HA LYS A 5 5.042 -17.877 13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.430 -15.363 14.601 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.656 -15.583 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.958 -15.743 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.667 -15.753 12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.484 -13.430 13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.519 -13.442 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.520 -13.812 10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.490 -13.783 12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.313 -11.637 11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.698 -11.470 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.849 -11.581 10.729 1.00 0.00 H new ATOM 74 N LEU A 6 5.187 -17.128 16.196 1.00 0.00 N ATOM 75 CA LEU A 6 5.889 -17.497 17.432 1.00 0.00 C ATOM 76 C LEU A 6 4.914 -17.845 18.550 1.00 0.00 C ATOM 77 O LEU A 6 5.277 -17.830 19.727 1.00 0.00 O ATOM 78 CB LEU A 6 6.848 -16.386 17.899 1.00 0.00 C ATOM 79 CG LEU A 6 8.178 -16.264 17.133 1.00 0.00 C ATOM 80 CD1 LEU A 6 7.980 -15.622 15.768 1.00 0.00 C ATOM 81 CD2 LEU A 6 9.195 -15.486 17.954 1.00 0.00 C ATOM 0 H LEU A 6 4.589 -16.305 16.273 1.00 0.00 H new ATOM 0 HA LEU A 6 6.479 -18.384 17.199 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.325 -15.432 17.830 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.074 -16.550 18.953 1.00 0.00 H new ATOM 0 HG LEU A 6 8.561 -17.271 16.968 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.940 -15.552 15.256 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.296 -16.230 15.176 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.562 -14.623 15.893 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.129 -15.409 17.398 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.810 -14.487 18.157 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.375 -16.004 18.896 1.00 0.00 H new ATOM 93 N THR A 7 3.677 -18.147 18.171 1.00 0.00 N ATOM 94 CA THR A 7 2.619 -18.551 19.108 1.00 0.00 C ATOM 95 C THR A 7 2.058 -17.354 19.882 1.00 0.00 C ATOM 96 O THR A 7 0.843 -17.200 20.014 1.00 0.00 O ATOM 97 CB THR A 7 3.113 -19.642 20.094 1.00 0.00 C ATOM 98 OG1 THR A 7 3.568 -20.787 19.358 1.00 0.00 O ATOM 99 CG2 THR A 7 2.007 -20.062 21.047 1.00 0.00 C ATOM 0 H THR A 7 3.371 -18.120 17.198 1.00 0.00 H new ATOM 0 HA THR A 7 1.815 -18.973 18.506 1.00 0.00 H new ATOM 0 HB THR A 7 3.933 -19.225 20.679 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.881 -21.474 19.983 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.383 -20.828 21.726 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.675 -19.198 21.623 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.168 -20.462 20.477 1.00 0.00 H new ATOM 107 N ALA A 8 2.940 -16.503 20.356 1.00 0.00 N ATOM 108 CA ALA A 8 2.524 -15.325 21.120 1.00 0.00 C ATOM 109 C ALA A 8 1.883 -14.318 20.187 1.00 0.00 C ATOM 110 O ALA A 8 0.792 -13.811 20.441 1.00 0.00 O ATOM 111 CB ALA A 8 3.708 -14.700 21.866 1.00 0.00 C ATOM 0 H ALA A 8 3.948 -16.595 20.232 1.00 0.00 H new ATOM 0 HA ALA A 8 1.795 -15.634 21.869 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.367 -13.828 22.424 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.129 -15.430 22.557 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.471 -14.397 21.149 1.00 0.00 H new ATOM 117 N ASP A 9 2.546 -14.088 19.074 1.00 0.00 N ATOM 118 CA ASP A 9 2.061 -13.169 18.066 1.00 0.00 C ATOM 119 C ASP A 9 0.902 -13.781 17.309 1.00 0.00 C ATOM 120 O ASP A 9 0.090 -13.075 16.727 1.00 0.00 O ATOM 121 CB ASP A 9 3.183 -12.790 17.091 1.00 0.00 C ATOM 122 CG ASP A 9 4.015 -13.981 16.638 1.00 0.00 C ATOM 123 OD1 ASP A 9 3.442 -15.066 16.394 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.247 -13.837 16.530 1.00 0.00 O ATOM 0 H ASP A 9 3.435 -14.532 18.842 1.00 0.00 H new ATOM 0 HA ASP A 9 1.718 -12.264 18.568 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.747 -12.307 16.217 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.837 -12.059 17.567 1.00 0.00 H new ATOM 129 N ALA A 10 0.823 -15.105 17.343 1.00 0.00 N ATOM 130 CA ALA A 10 -0.227 -15.835 16.639 1.00 0.00 C ATOM 131 C ALA A 10 -1.591 -15.451 17.168 1.00 0.00 C ATOM 132 O ALA A 10 -2.490 -15.120 16.400 1.00 0.00 O ATOM 133 CB ALA A 10 -0.021 -17.344 16.746 1.00 0.00 C ATOM 0 H ALA A 10 1.477 -15.699 17.853 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.171 -15.561 15.585 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.819 -17.859 16.212 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.941 -17.612 16.308 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.037 -17.640 17.795 1.00 0.00 H new ATOM 139 N GLU A 11 -1.740 -15.479 18.488 1.00 0.00 N ATOM 140 CA GLU A 11 -3.002 -15.097 19.113 1.00 0.00 C ATOM 141 C GLU A 11 -3.307 -13.648 18.802 1.00 0.00 C ATOM 142 O GLU A 11 -4.431 -13.299 18.446 1.00 0.00 O ATOM 143 CB GLU A 11 -2.967 -15.317 20.629 1.00 0.00 C ATOM 144 CG GLU A 11 -4.289 -15.028 21.315 1.00 0.00 C ATOM 145 CD GLU A 11 -4.270 -15.390 22.776 1.00 0.00 C ATOM 146 OE1 GLU A 11 -4.440 -16.587 23.097 1.00 0.00 O ATOM 147 OE2 GLU A 11 -4.092 -14.488 23.613 1.00 0.00 O ATOM 0 H GLU A 11 -1.009 -15.760 19.142 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.789 -15.731 18.705 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.680 -16.349 20.832 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.195 -14.681 21.062 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.526 -13.969 21.209 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.083 -15.584 20.816 1.00 0.00 H new ATOM 154 N LEU A 12 -2.284 -12.809 18.916 1.00 0.00 N ATOM 155 CA LEU A 12 -2.413 -11.384 18.612 1.00 0.00 C ATOM 156 C LEU A 12 -2.923 -11.179 17.192 1.00 0.00 C ATOM 157 O LEU A 12 -3.844 -10.413 16.972 1.00 0.00 O ATOM 158 CB LEU A 12 -1.072 -10.645 18.802 1.00 0.00 C ATOM 159 CG LEU A 12 -0.707 -10.229 20.245 1.00 0.00 C ATOM 160 CD1 LEU A 12 -0.937 -11.360 21.236 1.00 0.00 C ATOM 161 CD2 LEU A 12 0.741 -9.779 20.299 1.00 0.00 C ATOM 0 H LEU A 12 -1.351 -13.090 19.218 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.136 -10.965 19.311 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.275 -11.283 18.420 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.087 -9.748 18.183 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.360 -9.404 20.529 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.668 -11.026 22.238 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.988 -11.650 21.220 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.320 -12.216 20.961 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.993 -9.487 21.318 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.388 -10.598 19.985 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.883 -8.929 19.632 1.00 0.00 H new ATOM 173 N GLN A 13 -2.325 -11.882 16.234 1.00 0.00 N ATOM 174 CA GLN A 13 -2.736 -11.789 14.829 1.00 0.00 C ATOM 175 C GLN A 13 -4.179 -12.249 14.639 1.00 0.00 C ATOM 176 O GLN A 13 -4.927 -11.658 13.857 1.00 0.00 O ATOM 177 CB GLN A 13 -1.805 -12.606 13.931 1.00 0.00 C ATOM 178 CG GLN A 13 -0.366 -12.115 13.925 1.00 0.00 C ATOM 179 CD GLN A 13 -0.224 -10.712 13.373 1.00 0.00 C ATOM 180 OE1 GLN A 13 -0.043 -10.527 12.177 1.00 0.00 O ATOM 181 NE2 GLN A 13 -0.285 -9.720 14.242 1.00 0.00 N ATOM 0 H GLN A 13 -1.551 -12.525 16.402 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.670 -10.740 14.541 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.822 -13.646 14.257 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.190 -12.585 12.911 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.026 -12.141 14.942 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.243 -12.797 13.331 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.437 -9.917 15.231 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.180 -8.756 13.924 1.00 0.00 H new ATOM 190 N ARG A 14 -4.565 -13.297 15.361 1.00 0.00 N ATOM 191 CA ARG A 14 -5.930 -13.815 15.290 1.00 0.00 C ATOM 192 C ARG A 14 -6.917 -12.777 15.806 1.00 0.00 C ATOM 193 O ARG A 14 -7.987 -12.580 15.232 1.00 0.00 O ATOM 194 CB ARG A 14 -6.066 -15.115 16.095 1.00 0.00 C ATOM 195 CG ARG A 14 -5.201 -16.258 15.584 1.00 0.00 C ATOM 196 CD ARG A 14 -5.408 -17.524 16.404 1.00 0.00 C ATOM 197 NE ARG A 14 -6.769 -18.046 16.269 1.00 0.00 N ATOM 198 CZ ARG A 14 -7.208 -19.182 16.826 1.00 0.00 C ATOM 199 NH1 ARG A 14 -6.399 -19.924 17.580 1.00 0.00 N ATOM 200 NH2 ARG A 14 -8.460 -19.575 16.625 1.00 0.00 N ATOM 0 H ARG A 14 -3.954 -13.804 16.001 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.156 -14.032 14.246 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.807 -14.914 17.134 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.109 -15.430 16.082 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.439 -16.457 14.539 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.151 -15.966 15.622 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.695 -18.284 16.085 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.202 -17.314 17.454 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.430 -17.506 15.711 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.436 -19.629 17.738 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.743 -20.788 18.000 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.085 -19.012 16.048 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.797 -20.440 17.048 1.00 0.00 H new ATOM 214 N LEU A 15 -6.537 -12.100 16.881 1.00 0.00 N ATOM 215 CA LEU A 15 -7.380 -11.069 17.481 1.00 0.00 C ATOM 216 C LEU A 15 -7.364 -9.825 16.612 1.00 0.00 C ATOM 217 O LEU A 15 -8.384 -9.157 16.433 1.00 0.00 O ATOM 218 CB LEU A 15 -6.885 -10.715 18.891 1.00 0.00 C ATOM 219 CG LEU A 15 -6.815 -11.871 19.894 1.00 0.00 C ATOM 220 CD1 LEU A 15 -6.330 -11.374 21.244 1.00 0.00 C ATOM 221 CD2 LEU A 15 -8.166 -12.558 20.023 1.00 0.00 C ATOM 0 H LEU A 15 -5.648 -12.245 17.359 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.397 -11.454 17.554 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.891 -10.276 18.805 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.539 -9.945 19.301 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.100 -12.605 19.522 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.286 -12.208 21.944 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.337 -10.938 21.136 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.018 -10.618 21.622 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.092 -13.375 20.740 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.909 -11.839 20.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.467 -12.953 19.053 1.00 0.00 H new ATOM 233 N LYS A 16 -6.183 -9.519 16.096 1.00 0.00 N ATOM 234 CA LYS A 16 -5.969 -8.378 15.198 1.00 0.00 C ATOM 235 C LYS A 16 -6.820 -8.513 13.939 1.00 0.00 C ATOM 236 O LYS A 16 -7.205 -7.511 13.331 1.00 0.00 O ATOM 237 CB LYS A 16 -4.480 -8.288 14.795 1.00 0.00 C ATOM 238 CG LYS A 16 -4.116 -7.033 14.032 1.00 0.00 C ATOM 239 CD LYS A 16 -3.988 -5.847 14.960 1.00 0.00 C ATOM 240 CE LYS A 16 -3.775 -4.566 14.185 1.00 0.00 C ATOM 241 NZ LYS A 16 -3.365 -3.445 15.061 1.00 0.00 N ATOM 0 H LYS A 16 -5.336 -10.055 16.286 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.261 -7.472 15.730 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.868 -8.342 15.695 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.228 -9.156 14.186 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.176 -7.186 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.877 -6.828 13.279 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.887 -5.761 15.570 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.153 -6.005 15.643 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.013 -4.727 13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.695 -4.301 13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.459 -2.548 14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.973 -3.424 15.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.375 -3.575 15.351 1.00 0.00 H new ATOM 255 N ASN A 17 -7.087 -9.767 13.549 1.00 0.00 N ATOM 256 CA ASN A 17 -7.882 -10.092 12.355 1.00 0.00 C ATOM 257 C ASN A 17 -7.084 -9.794 11.073 1.00 0.00 C ATOM 258 O ASN A 17 -7.589 -9.922 9.966 1.00 0.00 O ATOM 259 CB ASN A 17 -9.237 -9.334 12.367 1.00 0.00 C ATOM 260 CG ASN A 17 -10.234 -9.843 11.329 1.00 0.00 C ATOM 261 OD1 ASN A 17 -11.020 -10.750 11.599 1.00 0.00 O ATOM 262 ND2 ASN A 17 -10.218 -9.256 10.151 1.00 0.00 N ATOM 0 H ASN A 17 -6.756 -10.589 14.055 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.102 -11.159 12.371 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.682 -9.420 13.358 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.052 -8.274 12.191 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.872 -9.550 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.552 -8.507 9.963 1.00 0.00 H new ATOM 269 N GLU A 18 -5.816 -9.452 11.237 1.00 0.00 N ATOM 270 CA GLU A 18 -4.965 -9.127 10.103 1.00 0.00 C ATOM 271 C GLU A 18 -4.016 -10.275 9.786 1.00 0.00 C ATOM 272 O GLU A 18 -2.861 -10.055 9.422 1.00 0.00 O ATOM 273 CB GLU A 18 -4.173 -7.843 10.358 1.00 0.00 C ATOM 274 CG GLU A 18 -5.026 -6.587 10.335 1.00 0.00 C ATOM 275 CD GLU A 18 -4.202 -5.336 10.139 1.00 0.00 C ATOM 276 OE1 GLU A 18 -4.022 -4.570 11.110 1.00 0.00 O ATOM 277 OE2 GLU A 18 -3.740 -5.101 9.004 1.00 0.00 O ATOM 0 H GLU A 18 -5.353 -9.392 12.144 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.613 -8.966 9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.678 -7.918 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.390 -7.754 9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.761 -6.664 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.581 -6.511 11.270 1.00 0.00 H new ATOM 284 N ARG A 19 -4.520 -11.509 9.889 1.00 0.00 N ATOM 285 CA ARG A 19 -3.722 -12.699 9.583 1.00 0.00 C ATOM 286 C ARG A 19 -3.486 -12.809 8.066 1.00 0.00 C ATOM 287 O ARG A 19 -2.897 -13.773 7.572 1.00 0.00 O ATOM 288 CB ARG A 19 -4.414 -13.960 10.111 1.00 0.00 C ATOM 289 CG ARG A 19 -5.752 -14.245 9.459 1.00 0.00 C ATOM 290 CD ARG A 19 -6.335 -15.557 9.940 1.00 0.00 C ATOM 291 NE ARG A 19 -7.571 -15.891 9.234 1.00 0.00 N ATOM 292 CZ ARG A 19 -8.160 -17.086 9.273 1.00 0.00 C ATOM 293 NH1 ARG A 19 -7.638 -18.069 10.000 1.00 0.00 N ATOM 294 NH2 ARG A 19 -9.270 -17.302 8.581 1.00 0.00 N ATOM 0 H ARG A 19 -5.476 -11.709 10.182 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.756 -12.605 10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.756 -14.815 9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.559 -13.860 11.187 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.446 -13.434 9.681 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.631 -14.274 8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.606 -16.354 9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.532 -15.497 11.010 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.012 -15.161 8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.782 -17.911 10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.093 -18.981 10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.674 -16.553 8.018 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.720 -18.217 8.611 1.00 0.00 H new ATOM 308 N HIS A 20 -3.972 -11.806 7.342 1.00 0.00 N ATOM 309 CA HIS A 20 -3.775 -11.694 5.895 1.00 0.00 C ATOM 310 C HIS A 20 -2.283 -11.558 5.580 1.00 0.00 C ATOM 311 O HIS A 20 -1.850 -11.804 4.453 1.00 0.00 O ATOM 312 CB HIS A 20 -4.560 -10.480 5.339 1.00 0.00 C ATOM 313 CG HIS A 20 -4.409 -10.265 3.863 1.00 0.00 C ATOM 314 ND1 HIS A 20 -5.091 -11.001 2.922 1.00 0.00 N ATOM 315 CD2 HIS A 20 -3.655 -9.385 3.172 1.00 0.00 C ATOM 316 CE1 HIS A 20 -4.757 -10.581 1.715 1.00 0.00 C ATOM 317 NE2 HIS A 20 -3.889 -9.600 1.838 1.00 0.00 N ATOM 0 H HIS A 20 -4.517 -11.042 7.742 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.153 -12.597 5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.618 -10.612 5.568 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.231 -9.581 5.860 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.989 -8.646 3.593 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.133 -10.977 0.783 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.461 -9.085 1.069 1.00 0.00 H new ATOM 325 N GLU A 21 -1.508 -11.181 6.599 1.00 0.00 N ATOM 326 CA GLU A 21 -0.057 -11.025 6.467 1.00 0.00 C ATOM 327 C GLU A 21 0.573 -12.327 5.960 1.00 0.00 C ATOM 328 O GLU A 21 1.548 -12.315 5.212 1.00 0.00 O ATOM 329 CB GLU A 21 0.576 -10.638 7.822 1.00 0.00 C ATOM 330 CG GLU A 21 2.034 -10.227 7.721 1.00 0.00 C ATOM 331 CD GLU A 21 2.726 -10.182 9.066 1.00 0.00 C ATOM 332 OE1 GLU A 21 3.530 -11.106 9.355 1.00 0.00 O ATOM 333 OE2 GLU A 21 2.467 -9.258 9.845 1.00 0.00 O ATOM 0 H GLU A 21 -1.865 -10.976 7.533 1.00 0.00 H new ATOM 0 HA GLU A 21 0.134 -10.228 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.006 -9.817 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.493 -11.483 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.559 -10.926 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.098 -9.245 7.252 1.00 0.00 H new ATOM 340 N GLU A 22 -0.006 -13.447 6.367 1.00 0.00 N ATOM 341 CA GLU A 22 0.482 -14.760 5.956 1.00 0.00 C ATOM 342 C GLU A 22 0.340 -14.953 4.449 1.00 0.00 C ATOM 343 O GLU A 22 1.242 -15.480 3.795 1.00 0.00 O ATOM 344 CB GLU A 22 -0.235 -15.890 6.714 1.00 0.00 C ATOM 345 CG GLU A 22 0.229 -16.072 8.162 1.00 0.00 C ATOM 346 CD GLU A 22 0.109 -14.814 8.999 1.00 0.00 C ATOM 347 OE1 GLU A 22 -0.936 -14.626 9.640 1.00 0.00 O ATOM 348 OE2 GLU A 22 1.075 -14.011 9.012 1.00 0.00 O ATOM 0 H GLU A 22 -0.818 -13.475 6.984 1.00 0.00 H new ATOM 0 HA GLU A 22 1.541 -14.805 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.307 -15.691 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.083 -16.826 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.358 -16.865 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.268 -16.402 8.163 1.00 0.00 H new ATOM 355 N ALA A 23 -0.786 -14.518 3.898 1.00 0.00 N ATOM 356 CA ALA A 23 -1.020 -14.620 2.454 1.00 0.00 C ATOM 357 C ALA A 23 -0.101 -13.668 1.700 1.00 0.00 C ATOM 358 O ALA A 23 0.256 -13.907 0.541 1.00 0.00 O ATOM 359 CB ALA A 23 -2.481 -14.337 2.106 1.00 0.00 C ATOM 0 H ALA A 23 -1.551 -14.093 4.422 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.796 -15.642 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.621 -14.421 1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.122 -15.059 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.743 -13.329 2.429 1.00 0.00 H new ATOM 365 N GLU A 24 0.285 -12.592 2.365 1.00 0.00 N ATOM 366 CA GLU A 24 1.186 -11.622 1.772 1.00 0.00 C ATOM 367 C GLU A 24 2.600 -12.186 1.674 1.00 0.00 C ATOM 368 O GLU A 24 3.311 -11.915 0.714 1.00 0.00 O ATOM 369 CB GLU A 24 1.166 -10.301 2.545 1.00 0.00 C ATOM 370 CG GLU A 24 -0.161 -9.567 2.436 1.00 0.00 C ATOM 371 CD GLU A 24 -0.224 -8.326 3.294 1.00 0.00 C ATOM 372 OE1 GLU A 24 -0.867 -8.372 4.362 1.00 0.00 O ATOM 373 OE2 GLU A 24 0.358 -7.294 2.909 1.00 0.00 O ATOM 0 H GLU A 24 -0.012 -12.369 3.315 1.00 0.00 H new ATOM 0 HA GLU A 24 0.837 -11.413 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.380 -10.498 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.963 -9.657 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.332 -9.291 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.967 -10.242 2.724 1.00 0.00 H new ATOM 380 N LEU A 25 2.997 -12.991 2.657 1.00 0.00 N ATOM 381 CA LEU A 25 4.314 -13.623 2.621 1.00 0.00 C ATOM 382 C LEU A 25 4.362 -14.659 1.503 1.00 0.00 C ATOM 383 O LEU A 25 5.427 -14.971 0.969 1.00 0.00 O ATOM 384 CB LEU A 25 4.663 -14.276 3.964 1.00 0.00 C ATOM 385 CG LEU A 25 6.084 -14.855 4.061 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.127 -13.757 3.896 1.00 0.00 C ATOM 387 CD2 LEU A 25 6.283 -15.582 5.379 1.00 0.00 C ATOM 0 H LEU A 25 2.435 -13.219 3.477 1.00 0.00 H new ATOM 0 HA LEU A 25 5.055 -12.847 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.535 -13.536 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.948 -15.076 4.158 1.00 0.00 H new ATOM 0 HG LEU A 25 6.210 -15.574 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.125 -14.189 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.006 -13.284 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.997 -13.011 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.296 -15.983 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.131 -14.887 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.566 -16.399 5.456 1.00 0.00 H new ATOM 399 N GLU A 26 3.199 -15.182 1.147 1.00 0.00 N ATOM 400 CA GLU A 26 3.101 -16.131 0.047 1.00 0.00 C ATOM 401 C GLU A 26 3.439 -15.423 -1.256 1.00 0.00 C ATOM 402 O GLU A 26 4.035 -16.003 -2.160 1.00 0.00 O ATOM 403 CB GLU A 26 1.696 -16.743 -0.037 1.00 0.00 C ATOM 404 CG GLU A 26 1.299 -17.580 1.172 1.00 0.00 C ATOM 405 CD GLU A 26 -0.062 -18.221 1.010 1.00 0.00 C ATOM 406 OE1 GLU A 26 -0.166 -19.452 1.192 1.00 0.00 O ATOM 407 OE2 GLU A 26 -1.031 -17.504 0.692 1.00 0.00 O ATOM 0 H GLU A 26 2.312 -14.967 1.602 1.00 0.00 H new ATOM 0 HA GLU A 26 3.808 -16.942 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.970 -15.939 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.637 -17.366 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.046 -18.357 1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.297 -16.950 2.061 1.00 0.00 H new ATOM 414 N ARG A 27 3.065 -14.146 -1.316 1.00 0.00 N ATOM 415 CA ARG A 27 3.318 -13.284 -2.476 1.00 0.00 C ATOM 416 C ARG A 27 4.806 -13.036 -2.695 1.00 0.00 C ATOM 417 O ARG A 27 5.200 -12.598 -3.765 1.00 0.00 O ATOM 418 CB ARG A 27 2.629 -11.939 -2.308 1.00 0.00 C ATOM 419 CG ARG A 27 1.132 -12.005 -2.144 1.00 0.00 C ATOM 420 CD ARG A 27 0.567 -10.622 -1.922 1.00 0.00 C ATOM 421 NE ARG A 27 -0.884 -10.624 -1.817 1.00 0.00 N ATOM 422 CZ ARG A 27 -1.613 -9.542 -1.566 1.00 0.00 C ATOM 423 NH1 ARG A 27 -1.015 -8.376 -1.331 1.00 0.00 N ATOM 424 NH2 ARG A 27 -2.935 -9.626 -1.534 1.00 0.00 N ATOM 0 H ARG A 27 2.574 -13.674 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 27 2.917 -13.810 -3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.053 -11.437 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.857 -11.320 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.682 -12.451 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.880 -12.648 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.993 -10.200 -1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.868 -9.974 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.372 -11.511 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.003 -8.313 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.575 -7.545 -1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.393 -10.522 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.494 -8.795 -1.341 1.00 0.00 H new ATOM 438 N LEU A 28 5.617 -13.292 -1.666 1.00 0.00 N ATOM 439 CA LEU A 28 7.079 -13.022 -1.710 1.00 0.00 C ATOM 440 C LEU A 28 7.757 -13.566 -2.982 1.00 0.00 C ATOM 441 O LEU A 28 8.781 -13.036 -3.415 1.00 0.00 O ATOM 442 CB LEU A 28 7.786 -13.583 -0.458 1.00 0.00 C ATOM 443 CG LEU A 28 9.288 -13.298 -0.350 1.00 0.00 C ATOM 444 CD1 LEU A 28 9.544 -11.805 -0.227 1.00 0.00 C ATOM 445 CD2 LEU A 28 9.887 -14.045 0.830 1.00 0.00 C ATOM 0 H LEU A 28 5.296 -13.688 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 28 7.181 -11.937 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.295 -13.175 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.639 -14.663 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 28 9.771 -13.651 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.616 -11.625 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.151 -11.295 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.048 -11.423 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.954 -13.831 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.399 -13.724 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.739 -15.116 0.696 1.00 0.00 H new ATOM 457 N LYS A 29 7.194 -14.611 -3.579 1.00 0.00 N ATOM 458 CA LYS A 29 7.767 -15.160 -4.802 1.00 0.00 C ATOM 459 C LYS A 29 7.436 -14.276 -6.002 1.00 0.00 C ATOM 460 O LYS A 29 8.279 -14.054 -6.875 1.00 0.00 O ATOM 461 CB LYS A 29 7.297 -16.589 -5.058 1.00 0.00 C ATOM 462 CG LYS A 29 7.706 -17.581 -3.986 1.00 0.00 C ATOM 463 CD LYS A 29 7.472 -19.009 -4.449 1.00 0.00 C ATOM 464 CE LYS A 29 7.814 -20.013 -3.365 1.00 0.00 C ATOM 465 NZ LYS A 29 6.886 -19.924 -2.213 1.00 0.00 N ATOM 0 H LYS A 29 6.357 -15.088 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 29 8.848 -15.182 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.210 -16.592 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.694 -16.923 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.759 -17.443 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.138 -17.392 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.429 -19.130 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.077 -19.208 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.781 -21.020 -3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.835 -19.843 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.022 -20.748 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.079 -19.053 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.905 -19.908 -2.558 1.00 0.00 H new ATOM 479 N SER A 30 6.214 -13.768 -6.037 1.00 0.00 N ATOM 480 CA SER A 30 5.780 -12.893 -7.115 1.00 0.00 C ATOM 481 C SER A 30 6.341 -11.490 -6.911 1.00 0.00 C ATOM 482 O SER A 30 6.728 -10.811 -7.868 1.00 0.00 O ATOM 483 CB SER A 30 4.257 -12.841 -7.165 1.00 0.00 C ATOM 484 OG SER A 30 3.703 -14.147 -7.204 1.00 0.00 O ATOM 0 H SER A 30 5.503 -13.947 -5.328 1.00 0.00 H new ATOM 0 HA SER A 30 6.153 -13.289 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.879 -12.308 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.938 -12.281 -8.044 1.00 0.00 H new ATOM 0 HG SER A 30 2.725 -14.087 -7.234 1.00 0.00 H new ATOM 490 N GLU A 31 6.372 -11.052 -5.662 1.00 0.00 N ATOM 491 CA GLU A 31 6.921 -9.760 -5.318 1.00 0.00 C ATOM 492 C GLU A 31 8.431 -9.858 -5.183 1.00 0.00 C ATOM 493 O GLU A 31 9.041 -10.843 -5.614 1.00 0.00 O ATOM 494 CB GLU A 31 6.302 -9.240 -4.016 1.00 0.00 C ATOM 495 CG GLU A 31 4.793 -9.123 -4.064 1.00 0.00 C ATOM 496 CD GLU A 31 4.215 -8.443 -2.845 1.00 0.00 C ATOM 497 OE1 GLU A 31 4.170 -9.069 -1.775 1.00 0.00 O ATOM 498 OE2 GLU A 31 3.780 -7.264 -2.963 1.00 0.00 O ATOM 0 H GLU A 31 6.018 -11.583 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 31 6.682 -9.056 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.580 -9.907 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.726 -8.262 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.505 -8.565 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.360 -10.119 -4.158 1.00 0.00 H new ATOM 505 N ARG A 32 9.037 -8.850 -4.602 1.00 0.00 N ATOM 506 CA ARG A 32 10.472 -8.830 -4.442 1.00 0.00 C ATOM 507 C ARG A 32 10.865 -8.978 -2.979 1.00 0.00 C ATOM 508 O ARG A 32 10.016 -9.155 -2.107 1.00 0.00 O ATOM 509 CB ARG A 32 11.068 -7.544 -5.026 1.00 0.00 C ATOM 510 CG ARG A 32 10.899 -7.385 -6.542 1.00 0.00 C ATOM 511 CD ARG A 32 11.642 -8.466 -7.326 1.00 0.00 C ATOM 512 NE ARG A 32 10.942 -9.755 -7.315 1.00 0.00 N ATOM 513 CZ ARG A 32 11.467 -10.907 -7.748 1.00 0.00 C ATOM 514 NH1 ARG A 32 12.728 -10.956 -8.163 1.00 0.00 N ATOM 515 NH2 ARG A 32 10.731 -12.012 -7.746 1.00 0.00 N ATOM 0 H ARG A 32 8.557 -8.030 -4.231 1.00 0.00 H new ATOM 0 HA ARG A 32 10.877 -9.680 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.606 -6.689 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.131 -7.513 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.839 -7.422 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.265 -6.404 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.772 -8.137 -8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.639 -8.595 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 32 9.989 -9.774 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.301 -10.113 -8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.123 -11.837 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.767 -11.982 -7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.130 -12.891 -8.076 1.00 0.00 H new ATOM 529 N HIS A 33 12.159 -8.881 -2.726 1.00 0.00 N ATOM 530 CA HIS A 33 12.725 -9.026 -1.383 1.00 0.00 C ATOM 531 C HIS A 33 12.303 -7.871 -0.468 1.00 0.00 C ATOM 532 O HIS A 33 12.372 -7.974 0.752 1.00 0.00 O ATOM 533 CB HIS A 33 14.258 -9.104 -1.471 1.00 0.00 C ATOM 534 CG HIS A 33 14.888 -7.913 -2.133 1.00 0.00 C ATOM 535 ND1 HIS A 33 15.039 -7.808 -3.501 1.00 0.00 N ATOM 536 CD2 HIS A 33 15.394 -6.768 -1.614 1.00 0.00 C ATOM 537 CE1 HIS A 33 15.611 -6.652 -3.792 1.00 0.00 C ATOM 538 NE2 HIS A 33 15.834 -6.006 -2.667 1.00 0.00 N ATOM 0 H HIS A 33 12.857 -8.698 -3.447 1.00 0.00 H new ATOM 0 HA HIS A 33 12.339 -9.948 -0.949 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.666 -9.207 -0.465 1.00 0.00 H new ATOM 0 HB3 HIS A 33 14.536 -10.003 -2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.442 -6.505 -0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.854 -6.298 -4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.265 -5.085 -2.590 1.00 0.00 H new ATOM 546 N ASP A 34 11.882 -6.773 -1.071 1.00 0.00 N ATOM 547 CA ASP A 34 11.452 -5.597 -0.320 1.00 0.00 C ATOM 548 C ASP A 34 10.282 -5.935 0.598 1.00 0.00 C ATOM 549 O ASP A 34 10.193 -5.434 1.724 1.00 0.00 O ATOM 550 CB ASP A 34 11.046 -4.468 -1.276 1.00 0.00 C ATOM 551 CG ASP A 34 12.179 -4.014 -2.171 1.00 0.00 C ATOM 552 OD1 ASP A 34 12.791 -2.961 -1.876 1.00 0.00 O ATOM 553 OD2 ASP A 34 12.458 -4.695 -3.185 1.00 0.00 O ATOM 0 H ASP A 34 11.827 -6.667 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 34 12.292 -5.265 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.214 -4.805 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.687 -3.619 -0.695 1.00 0.00 H new ATOM 558 N HIS A 35 9.396 -6.801 0.115 1.00 0.00 N ATOM 559 CA HIS A 35 8.211 -7.189 0.880 1.00 0.00 C ATOM 560 C HIS A 35 8.564 -7.852 2.212 1.00 0.00 C ATOM 561 O HIS A 35 8.004 -7.489 3.243 1.00 0.00 O ATOM 562 CB HIS A 35 7.270 -8.108 0.073 1.00 0.00 C ATOM 563 CG HIS A 35 6.064 -8.539 0.860 1.00 0.00 C ATOM 564 ND1 HIS A 35 5.028 -7.690 1.177 1.00 0.00 N ATOM 565 CD2 HIS A 35 5.766 -9.720 1.445 1.00 0.00 C ATOM 566 CE1 HIS A 35 4.150 -8.330 1.927 1.00 0.00 C ATOM 567 NE2 HIS A 35 4.575 -9.565 2.105 1.00 0.00 N ATOM 0 H HIS A 35 9.474 -7.247 -0.799 1.00 0.00 H new ATOM 0 HA HIS A 35 7.686 -6.258 1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 35 6.944 -7.587 -0.827 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.821 -8.991 -0.252 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.359 -10.622 1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.238 -7.912 2.327 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.096 -10.286 2.645 1.00 0.00 H new ATOM 575 N ASP A 36 9.493 -8.815 2.201 1.00 0.00 N ATOM 576 CA ASP A 36 9.821 -9.548 3.437 1.00 0.00 C ATOM 577 C ASP A 36 10.368 -8.622 4.514 1.00 0.00 C ATOM 578 O ASP A 36 10.175 -8.867 5.707 1.00 0.00 O ATOM 579 CB ASP A 36 10.774 -10.750 3.194 1.00 0.00 C ATOM 580 CG ASP A 36 12.236 -10.375 2.991 1.00 0.00 C ATOM 581 OD1 ASP A 36 12.919 -10.039 3.989 1.00 0.00 O ATOM 582 OD2 ASP A 36 12.724 -10.470 1.851 1.00 0.00 O ATOM 0 H ASP A 36 10.020 -9.102 1.376 1.00 0.00 H new ATOM 0 HA ASP A 36 8.880 -9.964 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.702 -11.430 4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.429 -11.298 2.317 1.00 0.00 H new ATOM 587 N LYS A 37 11.027 -7.549 4.102 1.00 0.00 N ATOM 588 CA LYS A 37 11.554 -6.587 5.061 1.00 0.00 C ATOM 589 C LYS A 37 10.425 -5.727 5.618 1.00 0.00 C ATOM 590 O LYS A 37 10.316 -5.534 6.831 1.00 0.00 O ATOM 591 CB LYS A 37 12.645 -5.698 4.437 1.00 0.00 C ATOM 592 CG LYS A 37 13.249 -4.706 5.426 1.00 0.00 C ATOM 593 CD LYS A 37 14.427 -3.948 4.831 1.00 0.00 C ATOM 594 CE LYS A 37 15.607 -4.871 4.553 1.00 0.00 C ATOM 595 NZ LYS A 37 16.816 -4.114 4.148 1.00 0.00 N ATOM 0 H LYS A 37 11.208 -7.323 3.124 1.00 0.00 H new ATOM 0 HA LYS A 37 12.013 -7.148 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.437 -6.332 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.221 -5.150 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.483 -3.996 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.575 -5.239 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.118 -3.463 3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.736 -3.159 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.827 -5.457 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.339 -5.576 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.597 -4.777 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.614 -3.574 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.087 -3.459 4.909 1.00 0.00 H new ATOM 609 N LYS A 38 9.567 -5.238 4.728 1.00 0.00 N ATOM 610 CA LYS A 38 8.448 -4.389 5.142 1.00 0.00 C ATOM 611 C LYS A 38 7.467 -5.180 6.008 1.00 0.00 C ATOM 612 O LYS A 38 6.937 -4.664 6.997 1.00 0.00 O ATOM 613 CB LYS A 38 7.712 -3.790 3.928 1.00 0.00 C ATOM 614 CG LYS A 38 6.659 -2.762 4.313 1.00 0.00 C ATOM 615 CD LYS A 38 5.875 -2.267 3.111 1.00 0.00 C ATOM 616 CE LYS A 38 4.935 -1.130 3.495 1.00 0.00 C ATOM 617 NZ LYS A 38 3.988 -1.518 4.578 1.00 0.00 N ATOM 0 H LYS A 38 9.621 -5.411 3.724 1.00 0.00 H new ATOM 0 HA LYS A 38 8.860 -3.567 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.440 -3.324 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.237 -4.594 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.972 -3.201 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.141 -1.916 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.565 -1.927 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.300 -3.089 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.522 -0.271 3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.370 -0.817 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.274 -0.771 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.517 -2.410 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.511 -1.644 5.468 1.00 0.00 H new ATOM 631 N GLU A 39 7.234 -6.432 5.631 1.00 0.00 N ATOM 632 CA GLU A 39 6.327 -7.305 6.377 1.00 0.00 C ATOM 633 C GLU A 39 6.875 -7.587 7.776 1.00 0.00 C ATOM 634 O GLU A 39 6.143 -7.529 8.763 1.00 0.00 O ATOM 635 CB GLU A 39 6.093 -8.626 5.627 1.00 0.00 C ATOM 636 CG GLU A 39 4.992 -9.472 6.224 1.00 0.00 C ATOM 637 CD GLU A 39 4.856 -10.816 5.552 1.00 0.00 C ATOM 638 OE1 GLU A 39 4.492 -10.852 4.360 1.00 0.00 O ATOM 639 OE2 GLU A 39 5.104 -11.841 6.223 1.00 0.00 O ATOM 0 H GLU A 39 7.660 -6.868 4.813 1.00 0.00 H new ATOM 0 HA GLU A 39 5.372 -6.788 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.848 -8.406 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.019 -9.200 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.189 -9.620 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.046 -8.936 6.148 1.00 0.00 H new ATOM 646 N ALA A 40 8.174 -7.879 7.853 1.00 0.00 N ATOM 647 CA ALA A 40 8.825 -8.139 9.144 1.00 0.00 C ATOM 648 C ALA A 40 8.720 -6.915 10.043 1.00 0.00 C ATOM 649 O ALA A 40 8.590 -7.031 11.268 1.00 0.00 O ATOM 650 CB ALA A 40 10.286 -8.539 8.958 1.00 0.00 C ATOM 0 H ALA A 40 8.794 -7.942 7.046 1.00 0.00 H new ATOM 0 HA ALA A 40 8.309 -8.973 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.739 -8.724 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.341 -9.444 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.822 -7.734 8.455 1.00 0.00 H new ATOM 656 N GLU A 41 8.783 -5.745 9.421 1.00 0.00 N ATOM 657 CA GLU A 41 8.636 -4.471 10.126 1.00 0.00 C ATOM 658 C GLU A 41 7.224 -4.353 10.701 1.00 0.00 C ATOM 659 O GLU A 41 7.035 -3.919 11.844 1.00 0.00 O ATOM 660 CB GLU A 41 8.919 -3.299 9.175 1.00 0.00 C ATOM 661 CG GLU A 41 8.744 -1.930 9.799 1.00 0.00 C ATOM 662 CD GLU A 41 8.891 -0.825 8.785 1.00 0.00 C ATOM 663 OE1 GLU A 41 9.994 -0.261 8.670 1.00 0.00 O ATOM 664 OE2 GLU A 41 7.902 -0.524 8.081 1.00 0.00 O ATOM 0 H GLU A 41 8.937 -5.648 8.417 1.00 0.00 H new ATOM 0 HA GLU A 41 9.356 -4.437 10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.940 -3.387 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.257 -3.379 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.760 -1.867 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.481 -1.796 10.591 1.00 0.00 H new ATOM 671 N ARG A 42 6.238 -4.748 9.892 1.00 0.00 N ATOM 672 CA ARG A 42 4.832 -4.732 10.313 1.00 0.00 C ATOM 673 C ARG A 42 4.640 -5.650 11.506 1.00 0.00 C ATOM 674 O ARG A 42 4.027 -5.266 12.507 1.00 0.00 O ATOM 675 CB ARG A 42 3.900 -5.187 9.171 1.00 0.00 C ATOM 676 CG ARG A 42 2.438 -5.296 9.588 1.00 0.00 C ATOM 677 CD ARG A 42 1.658 -6.211 8.658 1.00 0.00 C ATOM 678 NE ARG A 42 1.718 -5.767 7.268 1.00 0.00 N ATOM 679 CZ ARG A 42 1.129 -6.396 6.253 1.00 0.00 C ATOM 680 NH1 ARG A 42 0.417 -7.492 6.474 1.00 0.00 N ATOM 681 NH2 ARG A 42 1.247 -5.924 5.016 1.00 0.00 N ATOM 0 H ARG A 42 6.386 -5.084 8.940 1.00 0.00 H new ATOM 0 HA ARG A 42 4.576 -3.708 10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.982 -4.483 8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.237 -6.155 8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.377 -5.675 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.984 -4.305 9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.054 -7.224 8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.617 -6.252 8.980 1.00 0.00 H new ATOM 0 HE ARG A 42 2.246 -4.919 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.320 -7.854 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.034 -7.973 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.790 -5.078 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.795 -6.408 4.240 1.00 0.00 H new ATOM 695 N LYS A 43 5.172 -6.865 11.386 1.00 0.00 N ATOM 696 CA LYS A 43 5.070 -7.861 12.445 1.00 0.00 C ATOM 697 C LYS A 43 5.581 -7.303 13.762 1.00 0.00 C ATOM 698 O LYS A 43 4.877 -7.338 14.758 1.00 0.00 O ATOM 699 CB LYS A 43 5.852 -9.138 12.093 1.00 0.00 C ATOM 700 CG LYS A 43 5.715 -10.230 13.138 1.00 0.00 C ATOM 701 CD LYS A 43 6.703 -11.355 12.909 1.00 0.00 C ATOM 702 CE LYS A 43 6.533 -12.453 13.947 1.00 0.00 C ATOM 703 NZ LYS A 43 6.746 -11.962 15.332 1.00 0.00 N ATOM 0 H LYS A 43 5.680 -7.182 10.560 1.00 0.00 H new ATOM 0 HA LYS A 43 4.015 -8.115 12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.503 -9.517 11.133 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.906 -8.889 11.973 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.871 -9.806 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.700 -10.628 13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.562 -11.769 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.720 -10.964 12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.531 -12.875 13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.237 -13.259 13.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.656 -12.315 15.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.753 -10.922 15.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.978 -12.304 15.944 1.00 0.00 H new ATOM 717 N ALA A 44 6.796 -6.758 13.739 1.00 0.00 N ATOM 718 CA ALA A 44 7.431 -6.215 14.955 1.00 0.00 C ATOM 719 C ALA A 44 6.558 -5.159 15.625 1.00 0.00 C ATOM 720 O ALA A 44 6.523 -5.049 16.859 1.00 0.00 O ATOM 721 CB ALA A 44 8.810 -5.634 14.641 1.00 0.00 C ATOM 0 H ALA A 44 7.366 -6.677 12.897 1.00 0.00 H new ATOM 0 HA ALA A 44 7.550 -7.045 15.651 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.256 -5.241 15.555 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.450 -6.416 14.233 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.709 -4.830 13.912 1.00 0.00 H new ATOM 727 N LEU A 45 5.848 -4.393 14.814 1.00 0.00 N ATOM 728 CA LEU A 45 4.978 -3.348 15.318 1.00 0.00 C ATOM 729 C LEU A 45 3.739 -3.947 15.979 1.00 0.00 C ATOM 730 O LEU A 45 3.315 -3.496 17.044 1.00 0.00 O ATOM 731 CB LEU A 45 4.575 -2.398 14.185 1.00 0.00 C ATOM 732 CG LEU A 45 3.732 -1.184 14.589 1.00 0.00 C ATOM 733 CD1 LEU A 45 4.493 -0.298 15.565 1.00 0.00 C ATOM 734 CD2 LEU A 45 3.325 -0.393 13.358 1.00 0.00 C ATOM 0 H LEU A 45 5.859 -4.478 13.798 1.00 0.00 H new ATOM 0 HA LEU A 45 5.525 -2.780 16.071 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.483 -2.039 13.700 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.020 -2.968 13.440 1.00 0.00 H new ATOM 0 HG LEU A 45 2.831 -1.542 15.088 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.875 0.557 15.838 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.737 -0.869 16.461 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.412 0.053 15.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.727 0.467 13.659 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.217 -0.049 12.835 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.739 -1.029 12.695 1.00 0.00 H new ATOM 746 N GLU A 46 3.175 -4.973 15.355 1.00 0.00 N ATOM 747 CA GLU A 46 1.989 -5.625 15.895 1.00 0.00 C ATOM 748 C GLU A 46 2.338 -6.529 17.064 1.00 0.00 C ATOM 749 O GLU A 46 1.505 -6.741 17.950 1.00 0.00 O ATOM 750 CB GLU A 46 1.237 -6.414 14.823 1.00 0.00 C ATOM 751 CG GLU A 46 0.668 -5.548 13.715 1.00 0.00 C ATOM 752 CD GLU A 46 -0.157 -4.384 14.241 1.00 0.00 C ATOM 753 OE1 GLU A 46 -0.172 -3.328 13.587 1.00 0.00 O ATOM 754 OE2 GLU A 46 -0.790 -4.517 15.314 1.00 0.00 O ATOM 0 H GLU A 46 3.517 -5.370 14.480 1.00 0.00 H new ATOM 0 HA GLU A 46 1.331 -4.834 16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.912 -7.150 14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.424 -6.966 15.294 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.485 -5.162 13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.047 -6.162 13.063 1.00 0.00 H new ATOM 761 N ASP A 47 3.561 -7.076 17.049 1.00 0.00 N ATOM 762 CA ASP A 47 4.050 -7.917 18.150 1.00 0.00 C ATOM 763 C ASP A 47 3.870 -7.203 19.460 1.00 0.00 C ATOM 764 O ASP A 47 3.155 -7.675 20.343 1.00 0.00 O ATOM 765 CB ASP A 47 5.542 -8.287 17.984 1.00 0.00 C ATOM 766 CG ASP A 47 5.772 -9.477 17.077 1.00 0.00 C ATOM 767 OD1 ASP A 47 5.321 -10.577 17.414 1.00 0.00 O ATOM 768 OD2 ASP A 47 6.440 -9.324 16.041 1.00 0.00 O ATOM 0 H ASP A 47 4.229 -6.952 16.288 1.00 0.00 H new ATOM 0 HA ASP A 47 3.466 -8.837 18.133 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.079 -7.427 17.585 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.966 -8.501 18.965 1.00 0.00 H new ATOM 773 N LYS A 48 4.537 -6.053 19.589 1.00 0.00 N ATOM 774 CA LYS A 48 4.431 -5.230 20.789 1.00 0.00 C ATOM 775 C LYS A 48 4.965 -5.990 22.025 1.00 0.00 C ATOM 776 O LYS A 48 4.719 -5.601 23.166 1.00 0.00 O ATOM 777 CB LYS A 48 2.962 -4.805 20.992 1.00 0.00 C ATOM 778 CG LYS A 48 2.729 -3.799 22.107 1.00 0.00 C ATOM 779 CD LYS A 48 1.247 -3.520 22.300 1.00 0.00 C ATOM 780 CE LYS A 48 0.481 -4.788 22.662 1.00 0.00 C ATOM 781 NZ LYS A 48 -0.954 -4.516 22.903 1.00 0.00 N ATOM 0 H LYS A 48 5.157 -5.673 18.873 1.00 0.00 H new ATOM 0 HA LYS A 48 5.043 -4.337 20.665 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.590 -4.382 20.059 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.368 -5.695 21.197 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.154 -4.179 23.036 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.249 -2.869 21.875 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.115 -2.777 23.087 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.834 -3.093 21.386 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.582 -5.516 21.857 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.920 -5.236 23.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.439 -5.403 23.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.052 -3.841 23.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.380 -4.113 22.044 1.00 0.00 H new ATOM 795 N LEU A 49 5.714 -7.063 21.788 1.00 0.00 N ATOM 796 CA LEU A 49 6.272 -7.843 22.892 1.00 0.00 C ATOM 797 C LEU A 49 7.384 -7.068 23.569 1.00 0.00 C ATOM 798 O LEU A 49 7.497 -7.079 24.798 1.00 0.00 O ATOM 799 CB LEU A 49 6.798 -9.236 22.445 1.00 0.00 C ATOM 800 CG LEU A 49 5.762 -10.379 22.326 1.00 0.00 C ATOM 801 CD1 LEU A 49 4.919 -10.494 23.587 1.00 0.00 C ATOM 802 CD2 LEU A 49 4.883 -10.218 21.100 1.00 0.00 C ATOM 0 H LEU A 49 5.947 -7.410 20.857 1.00 0.00 H new ATOM 0 HA LEU A 49 5.457 -8.019 23.595 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.284 -9.119 21.476 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.567 -9.549 23.151 1.00 0.00 H new ATOM 0 HG LEU A 49 6.322 -11.307 22.208 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.201 -11.306 23.472 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.566 -10.700 24.440 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.385 -9.559 23.754 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.169 -11.041 21.053 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.344 -9.273 21.161 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.504 -10.225 20.204 1.00 0.00 H new ATOM 814 N ALA A 50 8.200 -6.383 22.754 1.00 0.00 N ATOM 815 CA ALA A 50 9.327 -5.591 23.250 1.00 0.00 C ATOM 816 C ALA A 50 10.269 -6.472 24.053 1.00 0.00 C ATOM 817 O ALA A 50 10.822 -6.049 25.071 1.00 0.00 O ATOM 818 CB ALA A 50 8.829 -4.414 24.089 1.00 0.00 C ATOM 0 H ALA A 50 8.095 -6.364 21.740 1.00 0.00 H new ATOM 0 HA ALA A 50 9.875 -5.187 22.399 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.681 -3.837 24.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.191 -3.776 23.478 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.259 -4.789 24.939 1.00 0.00 H new ATOM 824 N ASP A 51 10.458 -7.697 23.562 1.00 0.00 N ATOM 825 CA ASP A 51 11.274 -8.703 24.232 1.00 0.00 C ATOM 826 C ASP A 51 10.684 -9.031 25.588 1.00 0.00 C ATOM 827 O ASP A 51 11.199 -8.618 26.632 1.00 0.00 O ATOM 828 CB ASP A 51 12.744 -8.267 24.356 1.00 0.00 C ATOM 829 CG ASP A 51 13.436 -8.159 23.011 1.00 0.00 C ATOM 830 OD1 ASP A 51 13.981 -9.183 22.528 1.00 0.00 O ATOM 831 OD2 ASP A 51 13.443 -7.052 22.422 1.00 0.00 O ATOM 0 H ASP A 51 10.047 -8.018 22.685 1.00 0.00 H new ATOM 0 HA ASP A 51 11.266 -9.603 23.618 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.792 -7.303 24.863 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.280 -8.982 24.980 1.00 0.00 H new ATOM 836 N TYR A 52 9.576 -9.749 25.557 1.00 0.00 N ATOM 837 CA TYR A 52 8.854 -10.122 26.756 1.00 0.00 C ATOM 838 C TYR A 52 9.568 -11.260 27.469 1.00 0.00 C ATOM 839 O TYR A 52 10.216 -10.997 28.498 1.00 0.00 O ATOM 840 CB TYR A 52 7.415 -10.520 26.395 1.00 0.00 C ATOM 841 CG TYR A 52 6.551 -10.920 27.572 1.00 0.00 C ATOM 842 CD1 TYR A 52 5.914 -9.962 28.348 1.00 0.00 C ATOM 843 CD2 TYR A 52 6.365 -12.257 27.896 1.00 0.00 C ATOM 844 CE1 TYR A 52 5.117 -10.327 29.416 1.00 0.00 C ATOM 845 CE2 TYR A 52 5.572 -12.629 28.962 1.00 0.00 C ATOM 846 CZ TYR A 52 4.950 -11.661 29.717 1.00 0.00 C ATOM 847 OH TYR A 52 4.152 -12.031 30.780 1.00 0.00 O ATOM 848 OXT TYR A 52 9.502 -12.406 26.981 1.00 0.00 O ATOM 0 H TYR A 52 9.151 -10.090 24.695 1.00 0.00 H new ATOM 0 HA TYR A 52 8.819 -9.268 27.432 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.940 -9.684 25.882 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.449 -11.350 25.689 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.043 -8.916 28.114 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.849 -13.019 27.303 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.628 -9.571 30.012 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.440 -13.674 29.202 1.00 0.00 H new ATOM 0 HH TYR A 52 4.140 -13.008 30.855 1.00 0.00 H new TER 858 TYR A 52