USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 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 Single : A 1 GLY N :NH3+ 171:sc=-0.00215 (180deg=-0.106) USER MOD Single : A 2 SER OG : rot 48:sc= 0.298 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00566 X(o=-0.0057,f=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.882 X(o=-0.88,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0165 (180deg=-0.196) USER MOD Single : A 30 SER OG : rot -174:sc= 1.01 USER MOD Single : A 33 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 1.37 (180deg=1.12) USER MOD Single : A 38 LYS NZ :NH3+ 137:sc= 1.27 (180deg=0.866) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.07 (180deg=-0.382) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -0.081 (180deg=-0.406) USER MOD Single : A 52 TYR OH : rot -141:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.345 -20.108 11.272 1.00 0.00 N ATOM 2 CA GLY A 1 2.968 -19.579 11.170 1.00 0.00 C ATOM 3 C GLY A 1 2.852 -18.473 10.142 1.00 0.00 C ATOM 4 O GLY A 1 2.083 -17.522 10.322 1.00 0.00 O ATOM 0 H1 GLY A 1 4.411 -20.751 12.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.583 -20.626 10.402 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.011 -19.320 11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.288 -20.389 10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.653 -19.202 12.143 1.00 0.00 H new ATOM 10 N SER A 2 3.605 -18.592 9.064 1.00 0.00 N ATOM 11 CA SER A 2 3.595 -17.602 8.019 1.00 0.00 C ATOM 12 C SER A 2 2.403 -17.813 7.097 1.00 0.00 C ATOM 13 O SER A 2 2.441 -18.647 6.189 1.00 0.00 O ATOM 14 CB SER A 2 4.902 -17.667 7.230 1.00 0.00 C ATOM 15 OG SER A 2 5.187 -19.006 6.849 1.00 0.00 O ATOM 0 H SER A 2 4.235 -19.376 8.895 1.00 0.00 H new ATOM 0 HA SER A 2 3.505 -16.614 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.830 -17.038 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.719 -17.273 7.835 1.00 0.00 H new ATOM 0 HG SER A 2 4.384 -19.414 6.463 1.00 0.00 H new ATOM 21 N VAL A 3 1.333 -17.089 7.355 1.00 0.00 N ATOM 22 CA VAL A 3 0.145 -17.188 6.536 1.00 0.00 C ATOM 23 C VAL A 3 0.377 -16.519 5.186 1.00 0.00 C ATOM 24 O VAL A 3 -0.186 -16.932 4.173 1.00 0.00 O ATOM 25 CB VAL A 3 -1.088 -16.567 7.238 1.00 0.00 C ATOM 26 CG1 VAL A 3 -1.437 -17.356 8.490 1.00 0.00 C ATOM 27 CG2 VAL A 3 -0.839 -15.103 7.586 1.00 0.00 C ATOM 0 H VAL A 3 1.263 -16.425 8.126 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.062 -18.247 6.380 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.930 -16.613 6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.305 -16.908 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.665 -18.387 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.591 -17.340 9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.720 -14.691 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.018 -15.029 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.637 -14.542 6.674 1.00 0.00 H new ATOM 37 N GLU A 4 1.231 -15.492 5.197 1.00 0.00 N ATOM 38 CA GLU A 4 1.590 -14.739 4.006 1.00 0.00 C ATOM 39 C GLU A 4 0.315 -14.181 3.350 1.00 0.00 C ATOM 40 O GLU A 4 -0.081 -14.620 2.269 1.00 0.00 O ATOM 41 CB GLU A 4 2.356 -15.629 3.015 1.00 0.00 C ATOM 42 CG GLU A 4 3.576 -16.323 3.617 1.00 0.00 C ATOM 43 CD GLU A 4 4.601 -15.352 4.166 1.00 0.00 C ATOM 44 OE1 GLU A 4 5.524 -14.964 3.410 1.00 0.00 O ATOM 45 OE2 GLU A 4 4.493 -14.970 5.348 1.00 0.00 O ATOM 0 H GLU A 4 1.694 -15.162 6.044 1.00 0.00 H new ATOM 0 HA GLU A 4 2.240 -13.912 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.677 -16.386 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.677 -15.021 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.250 -16.989 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.045 -16.945 2.855 1.00 0.00 H new ATOM 52 N LYS A 5 -0.342 -13.235 4.031 1.00 0.00 N ATOM 53 CA LYS A 5 -1.589 -12.669 3.546 1.00 0.00 C ATOM 54 C LYS A 5 -1.530 -11.151 3.626 1.00 0.00 C ATOM 55 O LYS A 5 -2.521 -10.503 3.981 1.00 0.00 O ATOM 56 CB LYS A 5 -2.771 -13.184 4.383 1.00 0.00 C ATOM 57 CG LYS A 5 -3.012 -14.683 4.269 1.00 0.00 C ATOM 58 CD LYS A 5 -4.334 -15.087 4.908 1.00 0.00 C ATOM 59 CE LYS A 5 -4.337 -14.837 6.408 1.00 0.00 C ATOM 60 NZ LYS A 5 -5.667 -15.088 7.009 1.00 0.00 N ATOM 0 H LYS A 5 -0.024 -12.850 4.920 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.732 -12.973 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.596 -12.934 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.675 -12.658 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.011 -14.974 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.195 -15.221 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.147 -14.528 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.523 -16.143 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.597 -15.480 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.039 -13.807 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.626 -14.906 8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.370 -14.457 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.941 -16.078 6.844 1.00 0.00 H new ATOM 74 N LEU A 6 -0.355 -10.590 3.297 1.00 0.00 N ATOM 75 CA LEU A 6 -0.124 -9.142 3.358 1.00 0.00 C ATOM 76 C LEU A 6 -0.147 -8.663 4.804 1.00 0.00 C ATOM 77 O LEU A 6 -0.449 -7.507 5.090 1.00 0.00 O ATOM 78 CB LEU A 6 -1.156 -8.375 2.512 1.00 0.00 C ATOM 79 CG LEU A 6 -1.159 -8.695 1.013 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.215 -7.874 0.296 1.00 0.00 C ATOM 81 CD2 LEU A 6 0.214 -8.445 0.405 1.00 0.00 C ATOM 0 H LEU A 6 0.455 -11.125 2.984 1.00 0.00 H new ATOM 0 HA LEU A 6 0.862 -8.939 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.150 -8.581 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.978 -7.307 2.636 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.399 -9.751 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.203 -8.114 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.197 -8.104 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.005 -6.813 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.189 -8.679 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.487 -7.398 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.951 -9.079 0.898 1.00 0.00 H new ATOM 93 N THR A 7 0.217 -9.558 5.707 1.00 0.00 N ATOM 94 CA THR A 7 0.263 -9.303 7.066 1.00 0.00 C ATOM 95 C THR A 7 1.535 -9.991 7.580 1.00 0.00 C ATOM 96 O THR A 7 2.004 -10.947 6.955 1.00 0.00 O ATOM 97 CB THR A 7 -0.990 -9.865 7.792 1.00 0.00 C ATOM 98 OG1 THR A 7 -0.895 -9.640 9.205 1.00 0.00 O ATOM 99 CG2 THR A 7 -1.156 -11.357 7.522 1.00 0.00 C ATOM 0 H THR A 7 0.492 -10.509 5.464 1.00 0.00 H new ATOM 0 HA THR A 7 0.275 -8.231 7.260 1.00 0.00 H new ATOM 0 HB THR A 7 -1.862 -9.340 7.403 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.693 -9.998 9.648 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.041 -11.725 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.270 -11.522 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.276 -11.892 7.880 1.00 0.00 H new ATOM 107 N ALA A 8 2.081 -9.495 8.663 1.00 0.00 N ATOM 108 CA ALA A 8 3.354 -9.972 9.264 1.00 0.00 C ATOM 109 C ALA A 8 4.548 -9.493 8.442 1.00 0.00 C ATOM 110 O ALA A 8 5.598 -9.145 8.984 1.00 0.00 O ATOM 111 CB ALA A 8 3.377 -11.490 9.437 1.00 0.00 C ATOM 0 H ALA A 8 1.659 -8.726 9.184 1.00 0.00 H new ATOM 0 HA ALA A 8 3.425 -9.540 10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.326 -11.791 9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.559 -11.794 10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.262 -11.969 8.465 1.00 0.00 H new ATOM 117 N ASP A 9 4.356 -9.460 7.138 1.00 0.00 N ATOM 118 CA ASP A 9 5.368 -8.998 6.207 1.00 0.00 C ATOM 119 C ASP A 9 5.657 -7.535 6.465 1.00 0.00 C ATOM 120 O ASP A 9 6.798 -7.101 6.446 1.00 0.00 O ATOM 121 CB ASP A 9 4.899 -9.171 4.760 1.00 0.00 C ATOM 122 CG ASP A 9 4.388 -10.557 4.459 1.00 0.00 C ATOM 123 OD1 ASP A 9 5.209 -11.491 4.370 1.00 0.00 O ATOM 124 OD2 ASP A 9 3.162 -10.712 4.294 1.00 0.00 O ATOM 0 H ASP A 9 3.488 -9.755 6.691 1.00 0.00 H new ATOM 0 HA ASP A 9 6.270 -9.592 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.110 -8.448 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.726 -8.943 4.088 1.00 0.00 H new ATOM 129 N ALA A 10 4.599 -6.778 6.699 1.00 0.00 N ATOM 130 CA ALA A 10 4.717 -5.352 6.994 1.00 0.00 C ATOM 131 C ALA A 10 5.529 -5.111 8.260 1.00 0.00 C ATOM 132 O ALA A 10 6.255 -4.127 8.354 1.00 0.00 O ATOM 133 CB ALA A 10 3.341 -4.702 7.115 1.00 0.00 C ATOM 0 H ALA A 10 3.640 -7.126 6.691 1.00 0.00 H new ATOM 0 HA ALA A 10 5.246 -4.890 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.458 -3.641 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.799 -4.821 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.782 -5.180 7.920 1.00 0.00 H new ATOM 139 N GLU A 11 5.436 -6.027 9.215 1.00 0.00 N ATOM 140 CA GLU A 11 6.161 -5.882 10.475 1.00 0.00 C ATOM 141 C GLU A 11 7.648 -6.110 10.253 1.00 0.00 C ATOM 142 O GLU A 11 8.484 -5.332 10.715 1.00 0.00 O ATOM 143 CB GLU A 11 5.617 -6.844 11.540 1.00 0.00 C ATOM 144 CG GLU A 11 6.336 -6.754 12.868 1.00 0.00 C ATOM 145 CD GLU A 11 5.637 -7.528 13.951 1.00 0.00 C ATOM 146 OE1 GLU A 11 5.923 -8.729 14.109 1.00 0.00 O ATOM 147 OE2 GLU A 11 4.797 -6.936 14.661 1.00 0.00 O ATOM 0 H GLU A 11 4.871 -6.873 9.145 1.00 0.00 H new ATOM 0 HA GLU A 11 6.013 -4.866 10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.558 -6.638 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.691 -7.865 11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.353 -7.131 12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.415 -5.708 13.165 1.00 0.00 H new ATOM 154 N LEU A 12 7.968 -7.168 9.523 1.00 0.00 N ATOM 155 CA LEU A 12 9.360 -7.476 9.201 1.00 0.00 C ATOM 156 C LEU A 12 9.933 -6.405 8.271 1.00 0.00 C ATOM 157 O LEU A 12 11.133 -6.121 8.287 1.00 0.00 O ATOM 158 CB LEU A 12 9.513 -8.908 8.606 1.00 0.00 C ATOM 159 CG LEU A 12 8.770 -9.229 7.289 1.00 0.00 C ATOM 160 CD1 LEU A 12 9.540 -8.742 6.075 1.00 0.00 C ATOM 161 CD2 LEU A 12 8.504 -10.720 7.184 1.00 0.00 C ATOM 0 H LEU A 12 7.289 -7.827 9.142 1.00 0.00 H new ATOM 0 HA LEU A 12 9.937 -7.466 10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.575 -9.090 8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.179 -9.621 9.360 1.00 0.00 H new ATOM 0 HG LEU A 12 7.818 -8.698 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.985 -8.987 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.674 -7.662 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.516 -9.227 6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.980 -10.931 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.450 -11.260 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.890 -11.040 8.026 1.00 0.00 H new ATOM 173 N GLN A 13 9.054 -5.802 7.476 1.00 0.00 N ATOM 174 CA GLN A 13 9.436 -4.714 6.581 1.00 0.00 C ATOM 175 C GLN A 13 9.796 -3.480 7.392 1.00 0.00 C ATOM 176 O GLN A 13 10.831 -2.863 7.167 1.00 0.00 O ATOM 177 CB GLN A 13 8.305 -4.381 5.592 1.00 0.00 C ATOM 178 CG GLN A 13 8.638 -3.252 4.627 1.00 0.00 C ATOM 179 CD GLN A 13 7.467 -2.885 3.740 1.00 0.00 C ATOM 180 OE1 GLN A 13 6.631 -3.729 3.410 1.00 0.00 O ATOM 181 NE2 GLN A 13 7.395 -1.626 3.349 1.00 0.00 N ATOM 0 H GLN A 13 8.066 -6.051 7.434 1.00 0.00 H new ATOM 0 HA GLN A 13 10.303 -5.037 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.063 -5.276 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.411 -4.112 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.950 -2.374 5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.483 -3.547 4.005 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.108 -0.959 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.627 -1.321 2.751 1.00 0.00 H new ATOM 190 N ARG A 14 8.933 -3.133 8.347 1.00 0.00 N ATOM 191 CA ARG A 14 9.174 -1.983 9.220 1.00 0.00 C ATOM 192 C ARG A 14 10.434 -2.197 10.039 1.00 0.00 C ATOM 193 O ARG A 14 11.276 -1.315 10.129 1.00 0.00 O ATOM 194 CB ARG A 14 7.977 -1.732 10.153 1.00 0.00 C ATOM 195 CG ARG A 14 6.711 -1.281 9.438 1.00 0.00 C ATOM 196 CD ARG A 14 6.900 0.076 8.779 1.00 0.00 C ATOM 197 NE ARG A 14 7.197 1.125 9.757 1.00 0.00 N ATOM 198 CZ ARG A 14 7.898 2.225 9.491 1.00 0.00 C ATOM 199 NH1 ARG A 14 8.399 2.422 8.277 1.00 0.00 N ATOM 200 NH2 ARG A 14 8.099 3.131 10.440 1.00 0.00 N ATOM 0 H ARG A 14 8.063 -3.630 8.536 1.00 0.00 H new ATOM 0 HA ARG A 14 9.304 -1.105 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.763 -2.647 10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.255 -0.976 10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.435 -2.018 8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.888 -1.230 10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.711 0.017 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.998 0.340 8.227 1.00 0.00 H new ATOM 0 HE ARG A 14 6.843 1.005 10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.247 1.729 7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.935 3.266 8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.716 2.985 11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.636 3.973 10.235 1.00 0.00 H new ATOM 214 N LEU A 15 10.560 -3.391 10.607 1.00 0.00 N ATOM 215 CA LEU A 15 11.718 -3.750 11.426 1.00 0.00 C ATOM 216 C LEU A 15 13.020 -3.539 10.644 1.00 0.00 C ATOM 217 O LEU A 15 14.014 -3.032 11.180 1.00 0.00 O ATOM 218 CB LEU A 15 11.611 -5.213 11.880 1.00 0.00 C ATOM 219 CG LEU A 15 12.705 -5.703 12.830 1.00 0.00 C ATOM 220 CD1 LEU A 15 12.606 -4.997 14.172 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.618 -7.211 13.008 1.00 0.00 C ATOM 0 H LEU A 15 9.868 -4.135 10.515 1.00 0.00 H new ATOM 0 HA LEU A 15 11.732 -3.104 12.304 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.646 -5.352 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.615 -5.849 10.994 1.00 0.00 H new ATOM 0 HG LEU A 15 13.674 -5.464 12.392 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.393 -5.360 14.833 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.720 -3.923 14.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.633 -5.201 14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.403 -7.543 13.687 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.645 -7.473 13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.743 -7.699 12.042 1.00 0.00 H new ATOM 233 N LYS A 16 12.994 -3.907 9.375 1.00 0.00 N ATOM 234 CA LYS A 16 14.165 -3.769 8.521 1.00 0.00 C ATOM 235 C LYS A 16 14.339 -2.320 8.067 1.00 0.00 C ATOM 236 O LYS A 16 15.426 -1.751 8.188 1.00 0.00 O ATOM 237 CB LYS A 16 14.082 -4.703 7.301 1.00 0.00 C ATOM 238 CG LYS A 16 15.336 -4.688 6.436 1.00 0.00 C ATOM 239 CD LYS A 16 15.181 -5.553 5.193 1.00 0.00 C ATOM 240 CE LYS A 16 14.911 -7.005 5.549 1.00 0.00 C ATOM 241 NZ LYS A 16 14.844 -7.865 4.345 1.00 0.00 N ATOM 0 H LYS A 16 12.176 -4.304 8.912 1.00 0.00 H new ATOM 0 HA LYS A 16 15.036 -4.057 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.900 -5.721 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.226 -4.415 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.560 -3.663 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.184 -5.043 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.363 -5.170 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.086 -5.489 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.696 -7.369 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.972 -7.076 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.658 -8.848 4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.078 -7.534 3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.749 -7.818 3.834 1.00 0.00 H new ATOM 255 N ASN A 17 13.258 -1.722 7.567 1.00 0.00 N ATOM 256 CA ASN A 17 13.297 -0.340 7.055 1.00 0.00 C ATOM 257 C ASN A 17 13.759 0.626 8.128 1.00 0.00 C ATOM 258 O ASN A 17 14.622 1.473 7.883 1.00 0.00 O ATOM 259 CB ASN A 17 11.924 0.100 6.511 1.00 0.00 C ATOM 260 CG ASN A 17 11.987 1.437 5.787 1.00 0.00 C ATOM 261 OD1 ASN A 17 12.248 1.487 4.582 1.00 0.00 O ATOM 262 ND2 ASN A 17 11.739 2.522 6.501 1.00 0.00 N ATOM 0 H ASN A 17 12.342 -2.167 7.503 1.00 0.00 H new ATOM 0 HA ASN A 17 14.014 -0.323 6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.546 -0.662 5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.215 0.170 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.760 3.440 6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.527 2.441 7.495 1.00 0.00 H new ATOM 269 N GLU A 18 13.198 0.485 9.322 1.00 0.00 N ATOM 270 CA GLU A 18 13.556 1.342 10.434 1.00 0.00 C ATOM 271 C GLU A 18 15.028 1.185 10.792 1.00 0.00 C ATOM 272 O GLU A 18 15.686 2.156 11.178 1.00 0.00 O ATOM 273 CB GLU A 18 12.673 1.058 11.650 1.00 0.00 C ATOM 274 CG GLU A 18 11.222 1.490 11.472 1.00 0.00 C ATOM 275 CD GLU A 18 10.367 1.165 12.677 1.00 0.00 C ATOM 276 OE1 GLU A 18 9.504 0.265 12.581 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.554 1.800 13.734 1.00 0.00 O ATOM 0 H GLU A 18 12.492 -0.218 9.541 1.00 0.00 H new ATOM 0 HA GLU A 18 13.389 2.374 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.700 -0.010 11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.090 1.569 12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.187 2.563 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.806 0.999 10.592 1.00 0.00 H new ATOM 284 N ARG A 19 15.561 -0.028 10.646 1.00 0.00 N ATOM 285 CA ARG A 19 16.969 -0.248 10.952 1.00 0.00 C ATOM 286 C ARG A 19 17.868 0.407 9.906 1.00 0.00 C ATOM 287 O ARG A 19 18.981 0.802 10.209 1.00 0.00 O ATOM 288 CB ARG A 19 17.328 -1.733 11.104 1.00 0.00 C ATOM 289 CG ARG A 19 18.747 -1.946 11.633 1.00 0.00 C ATOM 290 CD ARG A 19 18.894 -1.377 13.042 1.00 0.00 C ATOM 291 NE ARG A 19 20.292 -1.157 13.430 1.00 0.00 N ATOM 292 CZ ARG A 19 20.846 -1.634 14.549 1.00 0.00 C ATOM 293 NH1 ARG A 19 20.171 -2.481 15.320 1.00 0.00 N ATOM 294 NH2 ARG A 19 22.077 -1.266 14.891 1.00 0.00 N ATOM 0 H ARG A 19 15.053 -0.852 10.326 1.00 0.00 H new ATOM 0 HA ARG A 19 17.143 0.223 11.920 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.617 -2.207 11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.227 -2.228 10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.981 -3.011 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.464 -1.467 10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.353 -0.433 13.105 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.429 -2.059 13.753 1.00 0.00 H new ATOM 0 HE ARG A 19 20.879 -0.604 12.805 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.228 -2.768 15.058 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.596 -2.844 16.173 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.599 -0.619 14.299 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.499 -1.630 15.745 1.00 0.00 H new ATOM 308 N HIS A 20 17.380 0.527 8.676 1.00 0.00 N ATOM 309 CA HIS A 20 18.163 1.193 7.627 1.00 0.00 C ATOM 310 C HIS A 20 18.330 2.669 7.956 1.00 0.00 C ATOM 311 O HIS A 20 19.400 3.246 7.749 1.00 0.00 O ATOM 312 CB HIS A 20 17.542 1.011 6.232 1.00 0.00 C ATOM 313 CG HIS A 20 17.699 -0.376 5.681 1.00 0.00 C ATOM 314 ND1 HIS A 20 18.893 -0.862 5.192 1.00 0.00 N ATOM 315 CD2 HIS A 20 16.811 -1.385 5.558 1.00 0.00 C ATOM 316 CE1 HIS A 20 18.733 -2.106 4.793 1.00 0.00 C ATOM 317 NE2 HIS A 20 17.477 -2.450 5.005 1.00 0.00 N ATOM 0 H HIS A 20 16.467 0.182 8.379 1.00 0.00 H new ATOM 0 HA HIS A 20 19.145 0.720 7.599 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.481 1.256 6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 20 18.001 1.721 5.544 1.00 0.00 H new ATOM 0 HD1 HIS A 20 19.767 -0.338 5.146 1.00 0.00 H new ATOM 0 HD2 HIS A 20 15.769 -1.359 5.842 1.00 0.00 H new ATOM 0 HE1 HIS A 20 19.498 -2.737 4.366 1.00 0.00 H new ATOM 325 N GLU A 21 17.275 3.270 8.489 1.00 0.00 N ATOM 326 CA GLU A 21 17.325 4.659 8.928 1.00 0.00 C ATOM 327 C GLU A 21 18.263 4.773 10.122 1.00 0.00 C ATOM 328 O GLU A 21 18.995 5.758 10.273 1.00 0.00 O ATOM 329 CB GLU A 21 15.940 5.135 9.336 1.00 0.00 C ATOM 330 CG GLU A 21 14.867 4.911 8.294 1.00 0.00 C ATOM 331 CD GLU A 21 13.509 5.331 8.789 1.00 0.00 C ATOM 332 OE1 GLU A 21 12.951 4.639 9.665 1.00 0.00 O ATOM 333 OE2 GLU A 21 12.991 6.365 8.318 1.00 0.00 O ATOM 0 H GLU A 21 16.372 2.817 8.628 1.00 0.00 H new ATOM 0 HA GLU A 21 17.685 5.277 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.650 4.624 10.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.989 6.199 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.114 5.471 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.843 3.857 8.018 1.00 0.00 H new ATOM 340 N GLU A 22 18.244 3.738 10.953 1.00 0.00 N ATOM 341 CA GLU A 22 19.091 3.661 12.147 1.00 0.00 C ATOM 342 C GLU A 22 20.548 3.484 11.741 1.00 0.00 C ATOM 343 O GLU A 22 21.450 3.974 12.409 1.00 0.00 O ATOM 344 CB GLU A 22 18.644 2.478 13.043 1.00 0.00 C ATOM 345 CG GLU A 22 19.546 2.197 14.243 1.00 0.00 C ATOM 346 CD GLU A 22 19.558 3.311 15.257 1.00 0.00 C ATOM 347 OE1 GLU A 22 18.494 3.612 15.827 1.00 0.00 O ATOM 348 OE2 GLU A 22 20.634 3.874 15.516 1.00 0.00 O ATOM 0 H GLU A 22 17.642 2.925 10.822 1.00 0.00 H new ATOM 0 HA GLU A 22 18.989 4.588 12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 22 17.635 2.678 13.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.590 1.578 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.217 1.278 14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.563 2.025 13.891 1.00 0.00 H new ATOM 355 N ALA A 23 20.765 2.852 10.596 1.00 0.00 N ATOM 356 CA ALA A 23 22.115 2.560 10.141 1.00 0.00 C ATOM 357 C ALA A 23 22.716 3.795 9.519 1.00 0.00 C ATOM 358 O ALA A 23 23.920 3.926 9.427 1.00 0.00 O ATOM 359 CB ALA A 23 22.126 1.396 9.149 1.00 0.00 C ATOM 0 H ALA A 23 20.027 2.533 9.968 1.00 0.00 H new ATOM 0 HA ALA A 23 22.715 2.263 11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.149 1.202 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.721 0.505 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.515 1.650 8.283 1.00 0.00 H new ATOM 365 N GLU A 24 21.852 4.713 9.116 1.00 0.00 N ATOM 366 CA GLU A 24 22.291 5.974 8.540 1.00 0.00 C ATOM 367 C GLU A 24 22.901 6.832 9.635 1.00 0.00 C ATOM 368 O GLU A 24 23.957 7.443 9.455 1.00 0.00 O ATOM 369 CB GLU A 24 21.121 6.711 7.872 1.00 0.00 C ATOM 370 CG GLU A 24 21.486 8.074 7.318 1.00 0.00 C ATOM 371 CD GLU A 24 20.300 8.783 6.721 1.00 0.00 C ATOM 372 OE1 GLU A 24 19.520 9.390 7.484 1.00 0.00 O ATOM 373 OE2 GLU A 24 20.136 8.738 5.487 1.00 0.00 O ATOM 0 H GLU A 24 20.839 4.608 9.178 1.00 0.00 H new ATOM 0 HA GLU A 24 23.037 5.774 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.731 6.094 7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.317 6.829 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.910 8.686 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.259 7.960 6.558 1.00 0.00 H new ATOM 380 N LEU A 25 22.225 6.863 10.772 1.00 0.00 N ATOM 381 CA LEU A 25 22.702 7.597 11.933 1.00 0.00 C ATOM 382 C LEU A 25 23.963 6.950 12.486 1.00 0.00 C ATOM 383 O LEU A 25 24.901 7.638 12.888 1.00 0.00 O ATOM 384 CB LEU A 25 21.615 7.682 13.019 1.00 0.00 C ATOM 385 CG LEU A 25 20.615 8.854 12.898 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.850 8.809 11.583 1.00 0.00 C ATOM 387 CD2 LEU A 25 19.648 8.851 14.070 1.00 0.00 C ATOM 0 H LEU A 25 21.336 6.384 10.916 1.00 0.00 H new ATOM 0 HA LEU A 25 22.941 8.613 11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.051 6.749 13.012 1.00 0.00 H new ATOM 0 HB3 LEU A 25 22.106 7.750 13.990 1.00 0.00 H new ATOM 0 HG LEU A 25 21.191 9.779 12.915 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.157 9.649 11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.552 8.871 10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.292 7.875 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.951 9.683 13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.094 7.913 14.082 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.205 8.955 15.001 1.00 0.00 H new ATOM 399 N GLU A 26 23.991 5.624 12.477 1.00 0.00 N ATOM 400 CA GLU A 26 25.156 4.890 12.946 1.00 0.00 C ATOM 401 C GLU A 26 26.324 5.071 11.977 1.00 0.00 C ATOM 402 O GLU A 26 27.468 5.219 12.391 1.00 0.00 O ATOM 403 CB GLU A 26 24.837 3.404 13.142 1.00 0.00 C ATOM 404 CG GLU A 26 23.780 3.134 14.208 1.00 0.00 C ATOM 405 CD GLU A 26 23.703 1.676 14.597 1.00 0.00 C ATOM 406 OE1 GLU A 26 24.077 1.348 15.741 1.00 0.00 O ATOM 407 OE2 GLU A 26 23.307 0.842 13.758 1.00 0.00 O ATOM 0 H GLU A 26 23.223 5.037 12.151 1.00 0.00 H new ATOM 0 HA GLU A 26 25.443 5.296 13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.497 2.987 12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 25.753 2.878 13.411 1.00 0.00 H new ATOM 0 HG2 GLU A 26 24.002 3.731 15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.807 3.459 13.840 1.00 0.00 H new ATOM 414 N ARG A 27 26.015 5.085 10.687 1.00 0.00 N ATOM 415 CA ARG A 27 27.024 5.308 9.638 1.00 0.00 C ATOM 416 C ARG A 27 27.615 6.705 9.773 1.00 0.00 C ATOM 417 O ARG A 27 28.796 6.936 9.489 1.00 0.00 O ATOM 418 CB ARG A 27 26.395 5.140 8.241 1.00 0.00 C ATOM 419 CG ARG A 27 27.350 5.360 7.086 1.00 0.00 C ATOM 420 CD ARG A 27 26.651 5.142 5.752 1.00 0.00 C ATOM 421 NE ARG A 27 25.552 6.094 5.543 1.00 0.00 N ATOM 422 CZ ARG A 27 24.395 5.794 4.940 1.00 0.00 C ATOM 423 NH1 ARG A 27 24.151 4.552 4.539 1.00 0.00 N ATOM 424 NH2 ARG A 27 23.474 6.738 4.757 1.00 0.00 N ATOM 0 H ARG A 27 25.069 4.944 10.332 1.00 0.00 H new ATOM 0 HA ARG A 27 27.817 4.569 9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 27 25.978 4.136 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.564 5.839 8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 27 27.752 6.372 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 27 28.196 4.678 7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 27 27.375 5.241 4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 27 26.262 4.125 5.709 1.00 0.00 H new ATOM 0 HE ARG A 27 25.679 7.048 5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.847 3.821 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.268 4.328 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.650 7.691 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.593 6.508 4.297 1.00 0.00 H new ATOM 438 N LEU A 28 26.795 7.625 10.250 1.00 0.00 N ATOM 439 CA LEU A 28 27.216 9.004 10.429 1.00 0.00 C ATOM 440 C LEU A 28 28.033 9.133 11.707 1.00 0.00 C ATOM 441 O LEU A 28 28.816 10.066 11.871 1.00 0.00 O ATOM 442 CB LEU A 28 26.003 9.950 10.464 1.00 0.00 C ATOM 443 CG LEU A 28 26.326 11.446 10.474 1.00 0.00 C ATOM 444 CD1 LEU A 28 27.134 11.827 9.242 1.00 0.00 C ATOM 445 CD2 LEU A 28 25.048 12.263 10.546 1.00 0.00 C ATOM 0 H LEU A 28 25.829 7.441 10.522 1.00 0.00 H new ATOM 0 HA LEU A 28 27.838 9.290 9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 28 25.376 9.739 9.598 1.00 0.00 H new ATOM 0 HB3 LEU A 28 25.411 9.719 11.350 1.00 0.00 H new ATOM 0 HG LEU A 28 26.926 11.663 11.358 1.00 0.00 H new ATOM 0 HD11 LEU A 28 27.354 12.894 9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 28 28.067 11.264 9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 28 26.560 11.596 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 28 25.295 13.325 10.552 1.00 0.00 H new ATOM 0 HD22 LEU A 28 24.425 12.040 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 28 24.506 12.011 11.458 1.00 0.00 H new ATOM 457 N LYS A 29 27.851 8.184 12.610 1.00 0.00 N ATOM 458 CA LYS A 29 28.589 8.169 13.865 1.00 0.00 C ATOM 459 C LYS A 29 29.901 7.428 13.667 1.00 0.00 C ATOM 460 O LYS A 29 30.924 7.753 14.278 1.00 0.00 O ATOM 461 CB LYS A 29 27.770 7.488 14.979 1.00 0.00 C ATOM 462 CG LYS A 29 28.535 7.312 16.285 1.00 0.00 C ATOM 463 CD LYS A 29 27.772 6.433 17.266 1.00 0.00 C ATOM 464 CE LYS A 29 26.518 7.118 17.784 1.00 0.00 C ATOM 465 NZ LYS A 29 26.839 8.299 18.620 1.00 0.00 N ATOM 0 H LYS A 29 27.196 7.410 12.498 1.00 0.00 H new ATOM 0 HA LYS A 29 28.785 9.198 14.167 1.00 0.00 H new ATOM 0 HB2 LYS A 29 26.874 8.078 15.171 1.00 0.00 H new ATOM 0 HB3 LYS A 29 27.439 6.511 14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 29 29.509 6.869 16.080 1.00 0.00 H new ATOM 0 HG3 LYS A 29 28.717 8.288 16.735 1.00 0.00 H new ATOM 0 HD2 LYS A 29 27.499 5.497 16.779 1.00 0.00 H new ATOM 0 HD3 LYS A 29 28.420 6.179 18.105 1.00 0.00 H new ATOM 0 HE2 LYS A 29 25.899 7.427 16.942 1.00 0.00 H new ATOM 0 HE3 LYS A 29 25.931 6.409 18.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 25.990 8.595 19.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 27.592 8.053 19.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 27.160 9.078 18.011 1.00 0.00 H new ATOM 479 N SER A 30 29.879 6.464 12.758 1.00 0.00 N ATOM 480 CA SER A 30 31.021 5.611 12.533 1.00 0.00 C ATOM 481 C SER A 30 32.073 6.346 11.738 1.00 0.00 C ATOM 482 O SER A 30 33.234 5.998 11.784 1.00 0.00 O ATOM 483 CB SER A 30 30.624 4.302 11.825 1.00 0.00 C ATOM 484 OG SER A 30 31.722 3.401 11.784 1.00 0.00 O ATOM 0 H SER A 30 29.075 6.258 12.165 1.00 0.00 H new ATOM 0 HA SER A 30 31.434 5.344 13.506 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.787 3.839 12.348 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.287 4.519 10.811 1.00 0.00 H new ATOM 0 HG SER A 30 31.480 2.615 11.252 1.00 0.00 H new ATOM 490 N GLU A 31 31.659 7.379 11.018 1.00 0.00 N ATOM 491 CA GLU A 31 32.589 8.179 10.245 1.00 0.00 C ATOM 492 C GLU A 31 33.531 8.938 11.175 1.00 0.00 C ATOM 493 O GLU A 31 34.721 9.074 10.902 1.00 0.00 O ATOM 494 CB GLU A 31 31.835 9.155 9.345 1.00 0.00 C ATOM 495 CG GLU A 31 32.732 9.921 8.392 1.00 0.00 C ATOM 496 CD GLU A 31 33.569 9.002 7.526 1.00 0.00 C ATOM 497 OE1 GLU A 31 33.017 8.418 6.571 1.00 0.00 O ATOM 498 OE2 GLU A 31 34.782 8.866 7.790 1.00 0.00 O ATOM 0 H GLU A 31 30.686 7.680 10.955 1.00 0.00 H new ATOM 0 HA GLU A 31 33.179 7.513 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 31 31.093 8.604 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 31 31.291 9.865 9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 31 32.120 10.559 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.389 10.577 8.963 1.00 0.00 H new ATOM 505 N ARG A 32 32.996 9.404 12.290 1.00 0.00 N ATOM 506 CA ARG A 32 33.789 10.124 13.269 1.00 0.00 C ATOM 507 C ARG A 32 34.500 9.146 14.189 1.00 0.00 C ATOM 508 O ARG A 32 35.648 9.356 14.570 1.00 0.00 O ATOM 509 CB ARG A 32 32.905 11.085 14.060 1.00 0.00 C ATOM 510 CG ARG A 32 32.605 12.377 13.317 1.00 0.00 C ATOM 511 CD ARG A 32 31.406 13.100 13.904 1.00 0.00 C ATOM 512 NE ARG A 32 30.145 12.468 13.514 1.00 0.00 N ATOM 513 CZ ARG A 32 28.981 12.633 14.145 1.00 0.00 C ATOM 514 NH1 ARG A 32 28.904 13.402 15.230 1.00 0.00 N ATOM 515 NH2 ARG A 32 27.899 12.025 13.689 1.00 0.00 N ATOM 0 H ARG A 32 32.013 9.296 12.540 1.00 0.00 H new ATOM 0 HA ARG A 32 34.547 10.712 12.752 1.00 0.00 H new ATOM 0 HB2 ARG A 32 31.966 10.587 14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 32 33.394 11.323 15.005 1.00 0.00 H new ATOM 0 HG2 ARG A 32 33.477 13.029 13.356 1.00 0.00 H new ATOM 0 HG3 ARG A 32 32.418 12.157 12.266 1.00 0.00 H new ATOM 0 HD2 ARG A 32 31.485 13.112 14.991 1.00 0.00 H new ATOM 0 HD3 ARG A 32 31.410 14.138 13.573 1.00 0.00 H new ATOM 0 HE ARG A 32 30.157 11.855 12.699 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.739 13.870 15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 32 28.010 13.523 15.707 1.00 0.00 H new ATOM 0 HH21 ARG A 32 27.957 11.434 12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 32 27.006 12.147 14.167 1.00 0.00 H new ATOM 529 N HIS A 33 33.818 8.055 14.518 1.00 0.00 N ATOM 530 CA HIS A 33 34.397 6.996 15.341 1.00 0.00 C ATOM 531 C HIS A 33 35.481 6.251 14.545 1.00 0.00 C ATOM 532 O HIS A 33 36.302 5.524 15.105 1.00 0.00 O ATOM 533 CB HIS A 33 33.287 6.023 15.803 1.00 0.00 C ATOM 534 CG HIS A 33 33.767 4.836 16.595 1.00 0.00 C ATOM 535 ND1 HIS A 33 33.937 4.853 17.962 1.00 0.00 N ATOM 536 CD2 HIS A 33 34.103 3.584 16.196 1.00 0.00 C ATOM 537 CE1 HIS A 33 34.357 3.672 18.369 1.00 0.00 C ATOM 538 NE2 HIS A 33 34.465 2.881 17.316 1.00 0.00 N ATOM 0 H HIS A 33 32.857 7.879 14.226 1.00 0.00 H new ATOM 0 HA HIS A 33 34.859 7.435 16.225 1.00 0.00 H new ATOM 0 HB2 HIS A 33 32.568 6.577 16.407 1.00 0.00 H new ATOM 0 HB3 HIS A 33 32.753 5.662 14.924 1.00 0.00 H new ATOM 0 HD2 HIS A 33 34.088 3.210 15.183 1.00 0.00 H new ATOM 0 HE1 HIS A 33 34.576 3.397 19.390 1.00 0.00 H new ATOM 0 HE2 HIS A 33 34.768 1.907 17.334 1.00 0.00 H new ATOM 546 N ASP A 34 35.477 6.459 13.235 1.00 0.00 N ATOM 547 CA ASP A 34 36.446 5.821 12.343 1.00 0.00 C ATOM 548 C ASP A 34 37.820 6.427 12.519 1.00 0.00 C ATOM 549 O ASP A 34 38.800 5.870 12.081 1.00 0.00 O ATOM 550 CB ASP A 34 36.010 5.923 10.868 1.00 0.00 C ATOM 551 CG ASP A 34 36.936 5.182 9.924 1.00 0.00 C ATOM 552 OD1 ASP A 34 37.250 4.000 10.200 1.00 0.00 O ATOM 553 OD2 ASP A 34 37.327 5.767 8.895 1.00 0.00 O ATOM 0 H ASP A 34 34.810 7.068 12.761 1.00 0.00 H new ATOM 0 HA ASP A 34 36.488 4.766 12.613 1.00 0.00 H new ATOM 0 HB2 ASP A 34 35.001 5.525 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.970 6.973 10.579 1.00 0.00 H new ATOM 558 N HIS A 35 37.890 7.560 13.197 1.00 0.00 N ATOM 559 CA HIS A 35 39.175 8.222 13.432 1.00 0.00 C ATOM 560 C HIS A 35 40.098 7.317 14.257 1.00 0.00 C ATOM 561 O HIS A 35 41.318 7.432 14.189 1.00 0.00 O ATOM 562 CB HIS A 35 38.973 9.575 14.148 1.00 0.00 C ATOM 563 CG HIS A 35 40.210 10.427 14.224 1.00 0.00 C ATOM 564 ND1 HIS A 35 40.503 11.410 13.301 1.00 0.00 N ATOM 565 CD2 HIS A 35 41.219 10.454 15.127 1.00 0.00 C ATOM 566 CE1 HIS A 35 41.636 12.002 13.636 1.00 0.00 C ATOM 567 NE2 HIS A 35 42.087 11.442 14.735 1.00 0.00 N ATOM 0 H HIS A 35 37.084 8.042 13.594 1.00 0.00 H new ATOM 0 HA HIS A 35 39.642 8.413 12.466 1.00 0.00 H new ATOM 0 HB2 HIS A 35 38.193 10.133 13.631 1.00 0.00 H new ATOM 0 HB3 HIS A 35 38.613 9.387 15.160 1.00 0.00 H new ATOM 0 HD2 HIS A 35 41.321 9.817 15.993 1.00 0.00 H new ATOM 0 HE1 HIS A 35 42.110 12.809 13.098 1.00 0.00 H new ATOM 0 HE2 HIS A 35 42.946 11.700 15.220 1.00 0.00 H new ATOM 575 N ASP A 36 39.506 6.410 15.018 1.00 0.00 N ATOM 576 CA ASP A 36 40.277 5.505 15.864 1.00 0.00 C ATOM 577 C ASP A 36 40.700 4.243 15.115 1.00 0.00 C ATOM 578 O ASP A 36 41.823 3.772 15.276 1.00 0.00 O ATOM 579 CB ASP A 36 39.487 5.117 17.119 1.00 0.00 C ATOM 580 CG ASP A 36 39.176 6.300 18.009 1.00 0.00 C ATOM 581 OD1 ASP A 36 39.982 6.597 18.923 1.00 0.00 O ATOM 582 OD2 ASP A 36 38.124 6.938 17.807 1.00 0.00 O ATOM 0 H ASP A 36 38.496 6.279 15.069 1.00 0.00 H new ATOM 0 HA ASP A 36 41.177 6.044 16.159 1.00 0.00 H new ATOM 0 HB2 ASP A 36 38.554 4.638 16.821 1.00 0.00 H new ATOM 0 HB3 ASP A 36 40.056 4.381 17.687 1.00 0.00 H new ATOM 587 N LYS A 37 39.807 3.694 14.293 1.00 0.00 N ATOM 588 CA LYS A 37 40.111 2.447 13.583 1.00 0.00 C ATOM 589 C LYS A 37 40.713 2.714 12.196 1.00 0.00 C ATOM 590 O LYS A 37 41.512 1.922 11.699 1.00 0.00 O ATOM 591 CB LYS A 37 38.866 1.532 13.501 1.00 0.00 C ATOM 592 CG LYS A 37 37.774 1.985 12.537 1.00 0.00 C ATOM 593 CD LYS A 37 36.489 1.184 12.749 1.00 0.00 C ATOM 594 CE LYS A 37 35.596 1.179 11.508 1.00 0.00 C ATOM 595 NZ LYS A 37 35.244 2.545 11.042 1.00 0.00 N ATOM 0 H LYS A 37 38.883 4.082 14.102 1.00 0.00 H new ATOM 0 HA LYS A 37 40.869 1.918 14.161 1.00 0.00 H new ATOM 0 HB2 LYS A 37 39.191 0.533 13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 37 38.433 1.448 14.498 1.00 0.00 H new ATOM 0 HG2 LYS A 37 37.573 3.046 12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 37 38.117 1.863 11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 37 36.743 0.158 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 37 35.936 1.604 13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 37 36.103 0.646 10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 37 34.681 0.629 11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 34.894 2.499 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 34.504 2.941 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 36.087 3.153 11.079 1.00 0.00 H new ATOM 609 N LYS A 38 40.317 3.834 11.589 1.00 0.00 N ATOM 610 CA LYS A 38 40.839 4.293 10.292 1.00 0.00 C ATOM 611 C LYS A 38 40.700 3.240 9.193 1.00 0.00 C ATOM 612 O LYS A 38 41.513 3.195 8.268 1.00 0.00 O ATOM 613 CB LYS A 38 42.308 4.705 10.429 1.00 0.00 C ATOM 614 CG LYS A 38 42.554 5.813 11.438 1.00 0.00 C ATOM 615 CD LYS A 38 44.029 6.163 11.510 1.00 0.00 C ATOM 616 CE LYS A 38 44.305 7.256 12.524 1.00 0.00 C ATOM 617 NZ LYS A 38 43.940 6.840 13.898 1.00 0.00 N ATOM 0 H LYS A 38 39.616 4.459 11.986 1.00 0.00 H new ATOM 0 HA LYS A 38 40.237 5.152 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 38 42.893 3.831 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 38 42.675 5.028 9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.980 6.697 11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 38 42.202 5.500 12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 38 44.600 5.273 11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 38 44.374 6.485 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 38 45.362 7.521 12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 38 43.744 8.151 12.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 44.683 7.140 14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.038 7.282 14.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 43.842 5.805 13.933 1.00 0.00 H new ATOM 631 N GLU A 39 39.661 2.426 9.260 1.00 0.00 N ATOM 632 CA GLU A 39 39.484 1.372 8.277 1.00 0.00 C ATOM 633 C GLU A 39 38.047 0.888 8.220 1.00 0.00 C ATOM 634 O GLU A 39 37.485 0.476 9.239 1.00 0.00 O ATOM 635 CB GLU A 39 40.412 0.194 8.572 1.00 0.00 C ATOM 636 CG GLU A 39 40.279 -0.940 7.573 1.00 0.00 C ATOM 637 CD GLU A 39 41.171 -2.109 7.891 1.00 0.00 C ATOM 638 OE1 GLU A 39 42.319 -2.136 7.408 1.00 0.00 O ATOM 639 OE2 GLU A 39 40.720 -3.025 8.609 1.00 0.00 O ATOM 0 H GLU A 39 38.935 2.473 9.975 1.00 0.00 H new ATOM 0 HA GLU A 39 39.738 1.797 7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 39 41.444 0.546 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 39 40.200 -0.185 9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 39 39.243 -1.276 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 39 40.517 -0.569 6.576 1.00 0.00 H new ATOM 646 N ALA A 40 37.470 0.932 7.016 1.00 0.00 N ATOM 647 CA ALA A 40 36.114 0.448 6.756 1.00 0.00 C ATOM 648 C ALA A 40 35.058 1.217 7.564 1.00 0.00 C ATOM 649 O ALA A 40 35.333 2.292 8.106 1.00 0.00 O ATOM 650 CB ALA A 40 36.023 -1.055 7.020 1.00 0.00 C ATOM 0 H ALA A 40 37.935 1.307 6.189 1.00 0.00 H new ATOM 0 HA ALA A 40 35.898 0.630 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 40 35.008 -1.398 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 40 36.718 -1.582 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 40 36.278 -1.258 8.060 1.00 0.00 H new ATOM 656 N GLU A 41 33.852 0.671 7.643 1.00 0.00 N ATOM 657 CA GLU A 41 32.771 1.335 8.344 1.00 0.00 C ATOM 658 C GLU A 41 32.322 0.521 9.549 1.00 0.00 C ATOM 659 O GLU A 41 32.234 1.041 10.657 1.00 0.00 O ATOM 660 CB GLU A 41 31.591 1.564 7.399 1.00 0.00 C ATOM 661 CG GLU A 41 30.453 2.355 8.013 1.00 0.00 C ATOM 662 CD GLU A 41 29.246 2.402 7.113 1.00 0.00 C ATOM 663 OE1 GLU A 41 28.202 1.830 7.482 1.00 0.00 O ATOM 664 OE2 GLU A 41 29.339 2.991 6.019 1.00 0.00 O ATOM 0 H GLU A 41 33.602 -0.228 7.230 1.00 0.00 H new ATOM 0 HA GLU A 41 33.138 2.298 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 41 31.946 2.088 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.211 0.597 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 41 30.176 1.909 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 41 30.789 3.371 8.222 1.00 0.00 H new ATOM 671 N ARG A 42 32.090 -0.763 9.327 1.00 0.00 N ATOM 672 CA ARG A 42 31.603 -1.655 10.320 1.00 0.00 C ATOM 673 C ARG A 42 31.697 -3.058 9.791 1.00 0.00 C ATOM 674 O ARG A 42 31.191 -3.370 8.712 1.00 0.00 O ATOM 675 CB ARG A 42 30.141 -1.364 10.656 1.00 0.00 C ATOM 676 CG ARG A 42 29.922 -0.540 11.909 1.00 0.00 C ATOM 677 CD ARG A 42 28.444 -0.415 12.195 1.00 0.00 C ATOM 678 NE ARG A 42 28.167 0.232 13.468 1.00 0.00 N ATOM 679 CZ ARG A 42 26.940 0.482 13.912 1.00 0.00 C ATOM 680 NH1 ARG A 42 25.887 0.182 13.152 1.00 0.00 N ATOM 681 NH2 ARG A 42 26.763 1.041 15.104 1.00 0.00 N ATOM 0 H ARG A 42 32.245 -1.207 8.422 1.00 0.00 H new ATOM 0 HA ARG A 42 32.202 -1.529 11.222 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.687 -0.843 9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.614 -2.312 10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 42 30.426 -1.008 12.755 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.361 0.450 11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 42 27.971 0.153 11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 42 27.993 -1.407 12.192 1.00 0.00 H new ATOM 0 HE ARG A 42 28.957 0.509 14.051 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.025 -0.238 12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.944 0.372 13.490 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.570 1.279 15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 42 25.820 1.232 15.443 1.00 0.00 H new ATOM 695 N LYS A 43 32.330 -3.877 10.539 1.00 0.00 N ATOM 696 CA LYS A 43 32.455 -5.288 10.214 1.00 0.00 C ATOM 697 C LYS A 43 31.158 -6.027 10.527 1.00 0.00 C ATOM 698 O LYS A 43 30.862 -7.058 9.932 1.00 0.00 O ATOM 699 CB LYS A 43 33.625 -5.916 10.984 1.00 0.00 C ATOM 700 CG LYS A 43 33.554 -5.714 12.489 1.00 0.00 C ATOM 701 CD LYS A 43 34.744 -6.339 13.191 1.00 0.00 C ATOM 702 CE LYS A 43 34.738 -6.016 14.678 1.00 0.00 C ATOM 703 NZ LYS A 43 34.865 -4.558 14.926 1.00 0.00 N ATOM 0 H LYS A 43 32.790 -3.608 11.409 1.00 0.00 H new ATOM 0 HA LYS A 43 32.655 -5.377 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 33.654 -6.985 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 43 34.559 -5.492 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 43 33.517 -4.648 12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 43 32.633 -6.152 12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 43 34.726 -7.420 13.051 1.00 0.00 H new ATOM 0 HD3 LYS A 43 35.668 -5.975 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 43 33.814 -6.382 15.126 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.559 -6.541 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 35.161 -4.398 15.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 35.576 -4.157 14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 33.948 -4.097 14.760 1.00 0.00 H new ATOM 717 N ALA A 44 30.371 -5.463 11.445 1.00 0.00 N ATOM 718 CA ALA A 44 29.101 -6.070 11.872 1.00 0.00 C ATOM 719 C ALA A 44 28.181 -6.351 10.687 1.00 0.00 C ATOM 720 O ALA A 44 27.543 -7.396 10.626 1.00 0.00 O ATOM 721 CB ALA A 44 28.385 -5.185 12.893 1.00 0.00 C ATOM 0 H ALA A 44 30.589 -4.582 11.911 1.00 0.00 H new ATOM 0 HA ALA A 44 29.346 -7.022 12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.449 -5.658 13.191 1.00 0.00 H new ATOM 0 HB2 ALA A 44 29.020 -5.053 13.769 1.00 0.00 H new ATOM 0 HB3 ALA A 44 28.174 -4.213 12.448 1.00 0.00 H new ATOM 727 N LEU A 45 28.118 -5.416 9.748 1.00 0.00 N ATOM 728 CA LEU A 45 27.271 -5.579 8.566 1.00 0.00 C ATOM 729 C LEU A 45 27.831 -6.645 7.633 1.00 0.00 C ATOM 730 O LEU A 45 27.083 -7.468 7.102 1.00 0.00 O ATOM 731 CB LEU A 45 27.095 -4.249 7.798 1.00 0.00 C ATOM 732 CG LEU A 45 26.180 -3.192 8.449 1.00 0.00 C ATOM 733 CD1 LEU A 45 26.780 -2.649 9.735 1.00 0.00 C ATOM 734 CD2 LEU A 45 25.899 -2.062 7.472 1.00 0.00 C ATOM 0 H LEU A 45 28.639 -4.540 9.778 1.00 0.00 H new ATOM 0 HA LEU A 45 26.291 -5.899 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 45 28.080 -3.805 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 45 26.701 -4.477 6.808 1.00 0.00 H new ATOM 0 HG LEU A 45 25.239 -3.679 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 45 26.108 -1.907 10.165 1.00 0.00 H new ATOM 0 HD12 LEU A 45 26.921 -3.465 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 45 27.743 -2.185 9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 45 25.252 -1.324 7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 45 26.838 -1.589 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 45 25.406 -2.461 6.586 1.00 0.00 H new ATOM 746 N GLU A 46 29.151 -6.644 7.463 1.00 0.00 N ATOM 747 CA GLU A 46 29.822 -7.587 6.570 1.00 0.00 C ATOM 748 C GLU A 46 29.668 -9.016 7.060 1.00 0.00 C ATOM 749 O GLU A 46 29.529 -9.944 6.266 1.00 0.00 O ATOM 750 CB GLU A 46 31.308 -7.244 6.457 1.00 0.00 C ATOM 751 CG GLU A 46 31.576 -5.855 5.914 1.00 0.00 C ATOM 752 CD GLU A 46 31.108 -5.694 4.484 1.00 0.00 C ATOM 753 OE1 GLU A 46 31.853 -6.091 3.564 1.00 0.00 O ATOM 754 OE2 GLU A 46 30.011 -5.157 4.271 1.00 0.00 O ATOM 0 H GLU A 46 29.781 -5.996 7.935 1.00 0.00 H new ATOM 0 HA GLU A 46 29.353 -7.505 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.768 -7.334 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 46 31.792 -7.976 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.074 -5.119 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.644 -5.646 5.969 1.00 0.00 H new ATOM 761 N ASP A 47 29.702 -9.187 8.367 1.00 0.00 N ATOM 762 CA ASP A 47 29.559 -10.509 8.959 1.00 0.00 C ATOM 763 C ASP A 47 28.098 -10.912 9.041 1.00 0.00 C ATOM 764 O ASP A 47 27.765 -12.090 8.909 1.00 0.00 O ATOM 765 CB ASP A 47 30.205 -10.579 10.349 1.00 0.00 C ATOM 766 CG ASP A 47 31.719 -10.487 10.303 1.00 0.00 C ATOM 767 OD1 ASP A 47 32.361 -11.458 9.855 1.00 0.00 O ATOM 768 OD2 ASP A 47 32.278 -9.455 10.738 1.00 0.00 O ATOM 0 H ASP A 47 29.827 -8.431 9.041 1.00 0.00 H new ATOM 0 HA ASP A 47 30.080 -11.211 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 47 29.816 -9.769 10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 47 29.917 -11.513 10.831 1.00 0.00 H new ATOM 773 N LYS A 48 27.227 -9.933 9.258 1.00 0.00 N ATOM 774 CA LYS A 48 25.785 -10.197 9.349 1.00 0.00 C ATOM 775 C LYS A 48 25.246 -10.829 8.066 1.00 0.00 C ATOM 776 O LYS A 48 24.610 -11.883 8.111 1.00 0.00 O ATOM 777 CB LYS A 48 24.985 -8.929 9.698 1.00 0.00 C ATOM 778 CG LYS A 48 23.486 -9.162 9.714 1.00 0.00 C ATOM 779 CD LYS A 48 22.720 -7.950 10.207 1.00 0.00 C ATOM 780 CE LYS A 48 21.222 -8.202 10.154 1.00 0.00 C ATOM 781 NZ LYS A 48 20.845 -9.448 10.874 1.00 0.00 N ATOM 0 H LYS A 48 27.486 -8.953 9.374 1.00 0.00 H new ATOM 0 HA LYS A 48 25.653 -10.909 10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 48 25.301 -8.564 10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.218 -8.148 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.150 -9.417 8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.260 -10.016 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.018 -7.716 11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.970 -7.083 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.695 -7.355 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.902 -8.272 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.928 -9.313 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.774 -10.233 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.570 -9.671 11.586 1.00 0.00 H new ATOM 795 N LEU A 49 25.488 -10.183 6.923 1.00 0.00 N ATOM 796 CA LEU A 49 25.034 -10.714 5.636 1.00 0.00 C ATOM 797 C LEU A 49 25.849 -11.933 5.190 1.00 0.00 C ATOM 798 O LEU A 49 25.639 -12.467 4.097 1.00 0.00 O ATOM 799 CB LEU A 49 25.050 -9.608 4.554 1.00 0.00 C ATOM 800 CG LEU A 49 26.372 -8.836 4.359 1.00 0.00 C ATOM 801 CD1 LEU A 49 27.406 -9.667 3.610 1.00 0.00 C ATOM 802 CD2 LEU A 49 26.118 -7.528 3.630 1.00 0.00 C ATOM 0 H LEU A 49 25.992 -9.298 6.862 1.00 0.00 H new ATOM 0 HA LEU A 49 24.007 -11.054 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 49 24.780 -10.063 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 49 24.269 -8.887 4.796 1.00 0.00 H new ATOM 0 HG LEU A 49 26.776 -8.620 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 28.322 -9.088 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 49 27.620 -10.575 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 49 27.017 -9.933 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.060 -6.995 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 49 25.680 -7.735 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 49 25.431 -6.914 4.213 1.00 0.00 H new ATOM 814 N ALA A 50 26.743 -12.384 6.043 1.00 0.00 N ATOM 815 CA ALA A 50 27.578 -13.523 5.745 1.00 0.00 C ATOM 816 C ALA A 50 27.202 -14.677 6.650 1.00 0.00 C ATOM 817 O ALA A 50 26.328 -14.538 7.513 1.00 0.00 O ATOM 818 CB ALA A 50 29.046 -13.169 5.919 1.00 0.00 C ATOM 0 H ALA A 50 26.910 -11.971 6.961 1.00 0.00 H new ATOM 0 HA ALA A 50 27.421 -13.816 4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 50 29.660 -14.040 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 50 29.306 -12.354 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 50 29.226 -12.859 6.948 1.00 0.00 H new ATOM 824 N ASP A 51 27.832 -15.808 6.450 1.00 0.00 N ATOM 825 CA ASP A 51 27.565 -16.971 7.272 1.00 0.00 C ATOM 826 C ASP A 51 28.838 -17.757 7.512 1.00 0.00 C ATOM 827 O ASP A 51 29.563 -18.084 6.566 1.00 0.00 O ATOM 828 CB ASP A 51 26.507 -17.861 6.614 1.00 0.00 C ATOM 829 CG ASP A 51 26.162 -19.078 7.446 1.00 0.00 C ATOM 830 OD1 ASP A 51 25.302 -18.964 8.351 1.00 0.00 O ATOM 831 OD2 ASP A 51 26.733 -20.154 7.196 1.00 0.00 O ATOM 0 H ASP A 51 28.535 -15.952 5.725 1.00 0.00 H new ATOM 0 HA ASP A 51 27.183 -16.630 8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.603 -17.276 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.868 -18.185 5.638 1.00 0.00 H new ATOM 836 N TYR A 52 29.123 -18.034 8.773 1.00 0.00 N ATOM 837 CA TYR A 52 30.295 -18.795 9.138 1.00 0.00 C ATOM 838 C TYR A 52 30.054 -20.275 8.900 1.00 0.00 C ATOM 839 O TYR A 52 30.484 -20.790 7.853 1.00 0.00 O ATOM 840 CB TYR A 52 30.665 -18.556 10.606 1.00 0.00 C ATOM 841 CG TYR A 52 31.032 -17.126 10.931 1.00 0.00 C ATOM 842 CD1 TYR A 52 30.198 -16.336 11.711 1.00 0.00 C ATOM 843 CD2 TYR A 52 32.215 -16.568 10.461 1.00 0.00 C ATOM 844 CE1 TYR A 52 30.532 -15.032 12.016 1.00 0.00 C ATOM 845 CE2 TYR A 52 32.554 -15.263 10.762 1.00 0.00 C ATOM 846 CZ TYR A 52 31.710 -14.500 11.539 1.00 0.00 C ATOM 847 OH TYR A 52 32.045 -13.201 11.843 1.00 0.00 O ATOM 848 OXT TYR A 52 29.412 -20.917 9.754 1.00 0.00 O ATOM 0 H TYR A 52 28.550 -17.738 9.564 1.00 0.00 H new ATOM 0 HA TYR A 52 31.125 -18.463 8.514 1.00 0.00 H new ATOM 0 HB2 TYR A 52 29.825 -18.855 11.233 1.00 0.00 H new ATOM 0 HB3 TYR A 52 31.503 -19.202 10.867 1.00 0.00 H new ATOM 0 HD1 TYR A 52 29.273 -16.749 12.085 1.00 0.00 H new ATOM 0 HD2 TYR A 52 32.879 -17.163 9.852 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.873 -14.432 12.626 1.00 0.00 H new ATOM 0 HE2 TYR A 52 33.477 -14.843 10.390 1.00 0.00 H new ATOM 0 HH TYR A 52 32.462 -12.780 11.063 1.00 0.00 H new TER 858 TYR A 52