USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 hydrogens (19 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 NoAdj-H: B 336 M3L H2 : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD NoAdj-H: B 336 M3L H : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD Set 1.1: A 64 GLN : amide:sc= -0.167 K(o=-1.9,f=-1.2) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.75 K(o=-1.9,f=-1) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 18:sc= 0.0415 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.333 K(o=-0.33,f=-3.3!) USER MOD Single : A 42 THR OG1 : rot -24:sc= 0.665 USER MOD Single : A 47 TYR OH : rot 107:sc= 1.87 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= -0.24 (180deg=-0.245) USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.00358) USER MOD Single : A 56 SER OG : rot -53:sc= 0.0538 USER MOD Single : A 61 CYS SG : rot 19:sc= -13.8! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : B 332 THR OG1 : rot 180:sc= 0 USER MOD Single : B 337 LYS NZ :NH3+ -141:sc= 1.03 (180deg=0.437) USER MOD Single : B 339 HIS : no HD1:sc= -3.5! K(o=-3.5!,f=-2) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -13.732 -1.769 12.559 1.00 0.00 N ATOM 2 CA SER A 5 -14.366 -0.993 11.462 1.00 0.00 C ATOM 3 C SER A 5 -15.880 -1.165 11.479 1.00 0.00 C ATOM 4 O SER A 5 -16.384 -2.279 11.652 1.00 0.00 O ATOM 5 CB SER A 5 -13.809 -1.441 10.109 1.00 0.00 C ATOM 6 OG SER A 5 -12.659 -0.691 9.757 1.00 0.00 O ATOM 0 HA SER A 5 -14.136 0.061 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.558 -2.501 10.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.573 -1.323 9.341 1.00 0.00 H new ATOM 0 HG SER A 5 -12.321 -0.998 8.890 1.00 0.00 H new ATOM 11 N ARG A 6 -16.596 -0.051 11.295 1.00 0.00 N ATOM 12 CA ARG A 6 -18.061 -0.054 11.286 1.00 0.00 C ATOM 13 C ARG A 6 -18.608 0.643 10.038 1.00 0.00 C ATOM 14 O ARG A 6 -19.560 0.157 9.420 1.00 0.00 O ATOM 15 CB ARG A 6 -18.601 0.628 12.549 1.00 0.00 C ATOM 16 CG ARG A 6 -19.816 -0.065 13.158 1.00 0.00 C ATOM 17 CD ARG A 6 -19.417 -1.002 14.290 1.00 0.00 C ATOM 18 NE ARG A 6 -19.200 -0.283 15.550 1.00 0.00 N ATOM 19 CZ ARG A 6 -18.706 -0.834 16.669 1.00 0.00 C ATOM 20 NH1 ARG A 6 -18.371 -2.122 16.712 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 -18.548 -0.086 17.752 1.00 0.00 N ATOM 0 H ARG A 6 -16.181 0.869 11.150 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.395 -1.091 11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.807 0.669 13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.866 1.658 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.513 0.684 13.533 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.339 -0.629 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.195 -1.752 14.430 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -18.506 -1.535 14.015 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.442 0.707 15.577 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.488 -2.707 15.885 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.997 -2.523 17.572 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.801 0.902 17.731 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.173 -0.498 18.606 1.00 0.00 H new ATOM 35 N LEU A 7 -17.998 1.780 9.677 1.00 0.00 N ATOM 36 CA LEU A 7 -18.415 2.554 8.509 1.00 0.00 C ATOM 37 C LEU A 7 -17.321 2.570 7.444 1.00 0.00 C ATOM 38 O LEU A 7 -16.134 2.442 7.760 1.00 0.00 O ATOM 39 CB LEU A 7 -18.767 3.987 8.924 1.00 0.00 C ATOM 40 CG LEU A 7 -20.124 4.503 8.431 1.00 0.00 C ATOM 41 CD1 LEU A 7 -21.195 4.293 9.491 1.00 0.00 C ATOM 42 CD2 LEU A 7 -20.027 5.973 8.056 1.00 0.00 C ATOM 0 H LEU A 7 -17.210 2.183 10.183 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.298 2.078 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.749 4.046 10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.988 4.655 8.556 1.00 0.00 H new ATOM 0 HG LEU A 7 -20.406 3.937 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.150 4.666 9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -21.282 3.230 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.921 4.833 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.998 6.325 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.723 6.552 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.290 6.098 7.263 1.00 0.00 H new ATOM 54 N SER A 8 -17.736 2.729 6.182 1.00 0.00 N ATOM 55 CA SER A 8 -16.806 2.762 5.047 1.00 0.00 C ATOM 56 C SER A 8 -16.413 4.199 4.673 1.00 0.00 C ATOM 57 O SER A 8 -15.523 4.404 3.840 1.00 0.00 O ATOM 58 CB SER A 8 -17.430 2.059 3.839 1.00 0.00 C ATOM 59 OG SER A 8 -16.447 1.376 3.082 1.00 0.00 O ATOM 0 H SER A 8 -18.716 2.837 5.920 1.00 0.00 H new ATOM 0 HA SER A 8 -15.899 2.238 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.188 1.353 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.935 2.791 3.209 1.00 0.00 H new ATOM 0 HG SER A 8 -16.872 0.934 2.317 1.00 0.00 H new ATOM 65 N ARG A 9 -17.075 5.183 5.298 1.00 0.00 N ATOM 66 CA ARG A 9 -16.805 6.600 5.038 1.00 0.00 C ATOM 67 C ARG A 9 -15.750 7.141 6.005 1.00 0.00 C ATOM 68 O ARG A 9 -15.820 6.895 7.212 1.00 0.00 O ATOM 69 CB ARG A 9 -18.101 7.414 5.160 1.00 0.00 C ATOM 70 CG ARG A 9 -18.177 8.627 4.233 1.00 0.00 C ATOM 71 CD ARG A 9 -17.779 9.903 4.959 1.00 0.00 C ATOM 72 NE ARG A 9 -17.562 11.019 4.032 1.00 0.00 N ATOM 73 CZ ARG A 9 -18.424 12.028 3.836 1.00 0.00 C ATOM 74 NH1 ARG A 9 -19.583 12.082 4.490 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 -18.120 12.990 2.975 1.00 0.00 N ATOM 0 H ARG A 9 -17.805 5.019 5.991 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.418 6.695 4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.947 6.759 4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.207 7.753 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.521 8.474 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -19.191 8.728 3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.557 10.171 5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.869 9.725 5.532 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.693 11.028 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.829 11.348 5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.225 12.858 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.236 12.959 2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.770 13.760 2.821 1.00 0.00 H new ATOM 89 N SER A 10 -14.779 7.878 5.456 1.00 0.00 N ATOM 90 CA SER A 10 -13.699 8.464 6.247 1.00 0.00 C ATOM 91 C SER A 10 -13.686 9.984 6.111 1.00 0.00 C ATOM 92 O SER A 10 -14.038 10.523 5.057 1.00 0.00 O ATOM 93 CB SER A 10 -12.349 7.892 5.809 1.00 0.00 C ATOM 94 OG SER A 10 -12.352 6.476 5.870 1.00 0.00 O ATOM 0 H SER A 10 -14.722 8.082 4.458 1.00 0.00 H new ATOM 0 HA SER A 10 -13.872 8.212 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.126 8.215 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.559 8.285 6.449 1.00 0.00 H new ATOM 0 HG SER A 10 -11.479 6.134 5.584 1.00 0.00 H new ATOM 100 N GLY A 11 -13.276 10.664 7.188 1.00 0.00 N ATOM 101 CA GLY A 11 -13.216 12.118 7.191 1.00 0.00 C ATOM 102 C GLY A 11 -11.811 12.642 6.967 1.00 0.00 C ATOM 103 O GLY A 11 -11.242 12.455 5.887 1.00 0.00 O ATOM 0 H GLY A 11 -12.983 10.227 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.874 12.507 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.592 12.492 8.143 1.00 0.00 H new ATOM 107 N ALA A 12 -11.258 13.297 7.992 1.00 0.00 N ATOM 108 CA ALA A 12 -9.910 13.857 7.923 1.00 0.00 C ATOM 109 C ALA A 12 -8.957 13.115 8.857 1.00 0.00 C ATOM 110 O ALA A 12 -9.202 13.026 10.065 1.00 0.00 O ATOM 111 CB ALA A 12 -9.938 15.342 8.259 1.00 0.00 C ATOM 0 H ALA A 12 -11.729 13.452 8.884 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.543 13.734 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.927 15.747 8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.577 15.864 7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.329 15.480 9.267 1.00 0.00 H new ATOM 117 N SER A 13 -7.875 12.581 8.281 1.00 0.00 N ATOM 118 CA SER A 13 -6.869 11.839 9.043 1.00 0.00 C ATOM 119 C SER A 13 -5.463 12.318 8.697 1.00 0.00 C ATOM 120 O SER A 13 -5.150 12.556 7.528 1.00 0.00 O ATOM 121 CB SER A 13 -6.990 10.339 8.767 1.00 0.00 C ATOM 122 OG SER A 13 -7.478 9.649 9.904 1.00 0.00 O ATOM 0 H SER A 13 -7.674 12.650 7.283 1.00 0.00 H new ATOM 0 HA SER A 13 -7.047 12.021 10.103 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.659 10.174 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.016 9.938 8.485 1.00 0.00 H new ATOM 0 HG SER A 13 -7.548 8.693 9.701 1.00 0.00 H new ATOM 128 N SER A 14 -4.613 12.450 9.738 1.00 0.00 N ATOM 129 CA SER A 14 -3.207 12.901 9.608 1.00 0.00 C ATOM 130 C SER A 14 -3.101 14.308 9.005 1.00 0.00 C ATOM 131 O SER A 14 -3.456 14.528 7.841 1.00 0.00 O ATOM 132 CB SER A 14 -2.369 11.905 8.784 1.00 0.00 C ATOM 133 OG SER A 14 -2.353 10.625 9.394 1.00 0.00 O ATOM 0 H SER A 14 -4.883 12.246 10.700 1.00 0.00 H new ATOM 0 HA SER A 14 -2.803 12.942 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.778 11.826 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.349 12.277 8.685 1.00 0.00 H new ATOM 0 HG SER A 14 -1.816 10.011 8.851 1.00 0.00 H new ATOM 139 N LEU A 15 -2.613 15.252 9.819 1.00 0.00 N ATOM 140 CA LEU A 15 -2.443 16.647 9.395 1.00 0.00 C ATOM 141 C LEU A 15 -1.104 17.219 9.871 1.00 0.00 C ATOM 142 O LEU A 15 -0.666 18.264 9.384 1.00 0.00 O ATOM 143 CB LEU A 15 -3.604 17.519 9.930 1.00 0.00 C ATOM 144 CG LEU A 15 -4.541 18.177 8.884 1.00 0.00 C ATOM 145 CD1 LEU A 15 -3.787 19.149 7.978 1.00 0.00 C ATOM 146 CD2 LEU A 15 -5.279 17.129 8.050 1.00 0.00 C ATOM 0 H LEU A 15 -2.327 15.073 10.782 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.452 16.662 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.215 16.901 10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.175 18.311 10.544 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.282 18.748 9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.479 19.588 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.342 19.939 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.001 18.614 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.926 17.628 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.555 16.509 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.883 16.502 8.706 1.00 0.00 H new ATOM 158 N TRP A 16 -0.462 16.524 10.821 1.00 0.00 N ATOM 159 CA TRP A 16 0.826 16.953 11.372 1.00 0.00 C ATOM 160 C TRP A 16 1.825 15.797 11.396 1.00 0.00 C ATOM 161 O TRP A 16 1.433 14.627 11.431 1.00 0.00 O ATOM 162 CB TRP A 16 0.637 17.507 12.790 1.00 0.00 C ATOM 163 CG TRP A 16 0.788 19.000 12.874 1.00 0.00 C ATOM 164 CD1 TRP A 16 1.959 19.701 12.926 1.00 0.00 C ATOM 165 CD2 TRP A 16 -0.266 19.977 12.921 1.00 0.00 C ATOM 166 NE1 TRP A 16 1.703 21.047 12.998 1.00 0.00 N ATOM 167 CE2 TRP A 16 0.346 21.243 12.998 1.00 0.00 C ATOM 168 CE3 TRP A 16 -1.665 19.906 12.904 1.00 0.00 C ATOM 169 CZ2 TRP A 16 -0.390 22.424 13.056 1.00 0.00 C ATOM 170 CZ3 TRP A 16 -2.392 21.081 12.964 1.00 0.00 C ATOM 171 CH2 TRP A 16 -1.753 22.323 13.039 1.00 0.00 C ATOM 0 H TRP A 16 -0.819 15.658 11.224 1.00 0.00 H new ATOM 0 HA TRP A 16 1.224 17.738 10.729 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.353 17.229 13.152 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.363 17.038 13.455 1.00 0.00 H new ATOM 0 HD1 TRP A 16 2.945 19.259 12.912 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.408 21.783 13.044 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.167 18.951 12.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.099 23.385 13.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.471 21.039 12.953 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.350 23.222 13.084 1.00 0.00 H new ATOM 182 N ASP A 17 3.121 16.144 11.380 1.00 0.00 N ATOM 183 CA ASP A 17 4.202 15.153 11.401 1.00 0.00 C ATOM 184 C ASP A 17 4.632 14.833 12.842 1.00 0.00 C ATOM 185 O ASP A 17 4.474 15.680 13.726 1.00 0.00 O ATOM 186 CB ASP A 17 5.402 15.667 10.602 1.00 0.00 C ATOM 187 CG ASP A 17 5.240 15.450 9.110 1.00 0.00 C ATOM 188 OD1 ASP A 17 4.674 16.339 8.440 1.00 0.00 O ATOM 189 OD2 ASP A 17 5.680 14.392 8.612 1.00 0.00 O1- ATOM 0 H ASP A 17 3.445 17.111 11.352 1.00 0.00 H new ATOM 0 HA ASP A 17 3.829 14.236 10.944 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.537 16.730 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.306 15.162 10.944 1.00 0.00 H new ATOM 194 N PRO A 18 5.185 13.607 13.108 1.00 0.00 N ATOM 195 CA PRO A 18 5.623 13.213 14.462 1.00 0.00 C ATOM 196 C PRO A 18 6.902 13.950 14.926 1.00 0.00 C ATOM 197 O PRO A 18 6.809 15.055 15.468 1.00 0.00 O ATOM 198 CB PRO A 18 5.835 11.694 14.341 1.00 0.00 C ATOM 199 CG PRO A 18 6.152 11.458 12.902 1.00 0.00 C ATOM 200 CD PRO A 18 5.405 12.512 12.124 1.00 0.00 C ATOM 0 HA PRO A 18 4.891 13.481 15.224 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.648 11.357 14.984 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.942 11.146 14.643 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.225 11.531 12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.845 10.458 12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.982 12.858 11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.461 12.128 11.739 1.00 0.00 H new ATOM 208 N ALA A 19 8.080 13.341 14.712 1.00 0.00 N ATOM 209 CA ALA A 19 9.353 13.946 15.112 1.00 0.00 C ATOM 210 C ALA A 19 10.179 14.408 13.907 1.00 0.00 C ATOM 211 O ALA A 19 11.057 15.263 14.050 1.00 0.00 O ATOM 212 CB ALA A 19 10.156 12.965 15.952 1.00 0.00 C ATOM 0 H ALA A 19 8.173 12.430 14.264 1.00 0.00 H new ATOM 0 HA ALA A 19 9.121 14.831 15.705 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.100 13.424 16.244 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.589 12.701 16.845 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.355 12.065 15.370 1.00 0.00 H new ATOM 218 N SER A 20 9.892 13.838 12.727 1.00 0.00 N ATOM 219 CA SER A 20 10.605 14.185 11.492 1.00 0.00 C ATOM 220 C SER A 20 9.659 14.152 10.284 1.00 0.00 C ATOM 221 O SER A 20 8.894 13.194 10.136 1.00 0.00 O ATOM 222 CB SER A 20 11.774 13.222 11.253 1.00 0.00 C ATOM 223 OG SER A 20 12.893 13.571 12.049 1.00 0.00 O ATOM 0 H SER A 20 9.167 13.131 12.604 1.00 0.00 H new ATOM 0 HA SER A 20 10.993 15.197 11.608 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.463 12.203 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.054 13.239 10.200 1.00 0.00 H new ATOM 0 HG SER A 20 12.606 14.161 12.777 1.00 0.00 H new ATOM 229 N PRO A 21 9.691 15.195 9.395 1.00 0.00 N ATOM 230 CA PRO A 21 8.822 15.245 8.201 1.00 0.00 C ATOM 231 C PRO A 21 9.270 14.283 7.085 1.00 0.00 C ATOM 232 O PRO A 21 8.436 13.621 6.460 1.00 0.00 O ATOM 233 CB PRO A 21 8.930 16.706 7.743 1.00 0.00 C ATOM 234 CG PRO A 21 10.266 17.168 8.224 1.00 0.00 C ATOM 235 CD PRO A 21 10.548 16.407 9.495 1.00 0.00 C ATOM 0 HA PRO A 21 7.804 14.931 8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.852 16.786 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.128 17.312 8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.036 16.975 7.477 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.262 18.242 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.603 16.143 9.575 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.300 16.998 10.376 1.00 0.00 H new ATOM 243 N ALA A 22 10.591 14.220 6.852 1.00 0.00 N ATOM 244 CA ALA A 22 11.167 13.350 5.823 1.00 0.00 C ATOM 245 C ALA A 22 12.397 12.604 6.359 1.00 0.00 C ATOM 246 O ALA A 22 13.276 13.230 6.958 1.00 0.00 O ATOM 247 CB ALA A 22 11.544 14.162 4.590 1.00 0.00 C ATOM 0 H ALA A 22 11.281 14.766 7.368 1.00 0.00 H new ATOM 0 HA ALA A 22 10.413 12.613 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.970 13.501 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.654 14.646 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.277 14.920 4.864 1.00 0.00 H new ATOM 253 N PRO A 23 12.485 11.249 6.161 1.00 0.00 N ATOM 254 CA PRO A 23 13.634 10.451 6.637 1.00 0.00 C ATOM 255 C PRO A 23 14.887 10.578 5.740 1.00 0.00 C ATOM 256 O PRO A 23 15.596 9.595 5.490 1.00 0.00 O ATOM 257 CB PRO A 23 13.078 9.018 6.629 1.00 0.00 C ATOM 258 CG PRO A 23 12.060 9.004 5.538 1.00 0.00 C ATOM 259 CD PRO A 23 11.471 10.392 5.486 1.00 0.00 C ATOM 0 HA PRO A 23 13.988 10.784 7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.867 8.290 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.630 8.763 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.517 8.740 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.287 8.262 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.300 10.713 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.510 10.435 5.998 1.00 0.00 H new ATOM 267 N THR A 24 15.158 11.816 5.271 1.00 0.00 N ATOM 268 CA THR A 24 16.315 12.132 4.395 1.00 0.00 C ATOM 269 C THR A 24 16.226 11.401 3.040 1.00 0.00 C ATOM 270 O THR A 24 15.297 10.623 2.807 1.00 0.00 O ATOM 271 CB THR A 24 17.687 11.822 5.071 1.00 0.00 C ATOM 272 OG1 THR A 24 17.539 11.706 6.493 1.00 0.00 O ATOM 273 CG2 THR A 24 18.702 12.917 4.761 1.00 0.00 C ATOM 0 H THR A 24 14.581 12.628 5.488 1.00 0.00 H new ATOM 0 HA THR A 24 16.264 13.207 4.220 1.00 0.00 H new ATOM 0 HB THR A 24 18.046 10.875 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 24 18.410 11.510 6.898 1.00 0.00 H new ATOM 0 HG21 THR A 24 19.651 12.680 5.242 1.00 0.00 H new ATOM 0 HG22 THR A 24 18.848 12.983 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 24 18.333 13.872 5.136 1.00 0.00 H new ATOM 281 N SER A 25 17.205 11.678 2.143 1.00 0.00 N ATOM 282 CA SER A 25 17.285 11.078 0.787 1.00 0.00 C ATOM 283 C SER A 25 16.140 11.550 -0.115 1.00 0.00 C ATOM 284 O SER A 25 15.024 11.785 0.360 1.00 0.00 O ATOM 285 CB SER A 25 17.317 9.540 0.840 1.00 0.00 C ATOM 286 OG SER A 25 18.257 9.081 1.795 1.00 0.00 O ATOM 0 H SER A 25 17.966 12.328 2.341 1.00 0.00 H new ATOM 0 HA SER A 25 18.224 11.424 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.326 9.161 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.571 9.145 -0.144 1.00 0.00 H new ATOM 0 HG SER A 25 18.256 8.101 1.810 1.00 0.00 H new ATOM 292 N GLY A 26 16.433 11.681 -1.414 1.00 0.00 N ATOM 293 CA GLY A 26 15.435 12.136 -2.374 1.00 0.00 C ATOM 294 C GLY A 26 15.507 11.411 -3.718 1.00 0.00 C ATOM 295 O GLY A 26 14.525 10.768 -4.100 1.00 0.00 O ATOM 0 H GLY A 26 17.348 11.479 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 26 14.442 11.996 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.563 13.206 -2.540 1.00 0.00 H new ATOM 299 N PRO A 27 16.650 11.498 -4.477 1.00 0.00 N ATOM 300 CA PRO A 27 16.787 10.831 -5.794 1.00 0.00 C ATOM 301 C PRO A 27 16.907 9.292 -5.705 1.00 0.00 C ATOM 302 O PRO A 27 17.896 8.697 -6.156 1.00 0.00 O ATOM 303 CB PRO A 27 18.064 11.462 -6.377 1.00 0.00 C ATOM 304 CG PRO A 27 18.868 11.882 -5.193 1.00 0.00 C ATOM 305 CD PRO A 27 17.873 12.272 -4.132 1.00 0.00 C ATOM 0 HA PRO A 27 15.901 10.978 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.611 10.747 -6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.827 12.314 -7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.508 11.070 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.521 12.719 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.235 12.021 -3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.681 13.345 -4.141 1.00 0.00 H new ATOM 313 N ARG A 28 15.880 8.662 -5.119 1.00 0.00 N ATOM 314 CA ARG A 28 15.830 7.200 -4.963 1.00 0.00 C ATOM 315 C ARG A 28 14.377 6.695 -5.054 1.00 0.00 C ATOM 316 O ARG A 28 13.532 7.129 -4.263 1.00 0.00 O ATOM 317 CB ARG A 28 16.474 6.743 -3.629 1.00 0.00 C ATOM 318 CG ARG A 28 16.052 7.543 -2.391 1.00 0.00 C ATOM 319 CD ARG A 28 15.002 6.802 -1.577 1.00 0.00 C ATOM 320 NE ARG A 28 14.246 7.706 -0.702 1.00 0.00 N ATOM 321 CZ ARG A 28 14.016 7.494 0.603 1.00 0.00 C ATOM 322 NH1 ARG A 28 14.478 6.407 1.218 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 13.316 8.382 1.296 1.00 0.00 N ATOM 0 H ARG A 28 15.065 9.146 -4.742 1.00 0.00 H new ATOM 0 HA ARG A 28 16.408 6.765 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.226 5.694 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.558 6.803 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.925 7.738 -1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.658 8.511 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.315 6.291 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.486 6.034 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 28 13.868 8.558 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.018 5.717 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.292 6.265 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.957 9.219 0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.137 8.228 2.288 1.00 0.00 H new ATOM 337 N PRO A 29 14.051 5.777 -6.019 1.00 0.00 N ATOM 338 CA PRO A 29 12.683 5.244 -6.163 1.00 0.00 C ATOM 339 C PRO A 29 12.345 4.183 -5.105 1.00 0.00 C ATOM 340 O PRO A 29 13.077 3.201 -4.940 1.00 0.00 O ATOM 341 CB PRO A 29 12.687 4.635 -7.571 1.00 0.00 C ATOM 342 CG PRO A 29 14.109 4.250 -7.831 1.00 0.00 C ATOM 343 CD PRO A 29 14.970 5.211 -7.045 1.00 0.00 C ATOM 0 HA PRO A 29 11.927 6.017 -6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.028 3.768 -7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.332 5.353 -8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.294 3.222 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.337 4.308 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.815 4.701 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.380 5.992 -7.685 1.00 0.00 H new ATOM 351 N ARG A 30 11.230 4.404 -4.387 1.00 0.00 N ATOM 352 CA ARG A 30 10.764 3.490 -3.329 1.00 0.00 C ATOM 353 C ARG A 30 9.374 3.913 -2.823 1.00 0.00 C ATOM 354 O ARG A 30 8.703 4.738 -3.450 1.00 0.00 O ATOM 355 CB ARG A 30 11.769 3.456 -2.158 1.00 0.00 C ATOM 356 CG ARG A 30 12.482 2.122 -2.006 1.00 0.00 C ATOM 357 CD ARG A 30 13.534 2.173 -0.907 1.00 0.00 C ATOM 358 NE ARG A 30 13.414 1.044 0.022 1.00 0.00 N ATOM 359 CZ ARG A 30 14.413 0.569 0.780 1.00 0.00 C ATOM 360 NH1 ARG A 30 15.628 1.112 0.739 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 14.190 -0.458 1.587 1.00 0.00 N ATOM 0 H ARG A 30 10.629 5.217 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 30 10.691 2.489 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.511 4.241 -2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.242 3.685 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.754 1.343 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 30 12.954 1.851 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.527 2.169 -1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.437 3.108 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 30 12.505 0.587 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.812 1.904 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.375 0.736 1.324 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.263 -0.882 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.945 -0.825 2.166 1.00 0.00 H new ATOM 375 N LEU A 31 8.957 3.340 -1.679 1.00 0.00 N ATOM 376 CA LEU A 31 7.665 3.642 -1.052 1.00 0.00 C ATOM 377 C LEU A 31 7.739 4.977 -0.300 1.00 0.00 C ATOM 378 O LEU A 31 8.461 5.101 0.696 1.00 0.00 O ATOM 379 CB LEU A 31 7.283 2.496 -0.090 1.00 0.00 C ATOM 380 CG LEU A 31 6.357 1.375 -0.637 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.199 1.932 -1.448 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.132 0.354 -1.460 1.00 0.00 C ATOM 0 H LEU A 31 9.510 2.654 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 31 6.899 3.729 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.204 2.030 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.798 2.937 0.781 1.00 0.00 H new ATOM 0 HG LEU A 31 5.943 0.870 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.580 1.111 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.599 2.590 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.587 2.495 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.449 -0.413 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.604 0.852 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.899 -0.108 -0.838 1.00 0.00 H new ATOM 394 N TRP A 32 6.994 5.973 -0.802 1.00 0.00 N ATOM 395 CA TRP A 32 6.984 7.321 -0.213 1.00 0.00 C ATOM 396 C TRP A 32 5.596 7.961 -0.322 1.00 0.00 C ATOM 397 O TRP A 32 4.797 7.570 -1.175 1.00 0.00 O ATOM 398 CB TRP A 32 8.053 8.209 -0.901 1.00 0.00 C ATOM 399 CG TRP A 32 7.765 8.551 -2.343 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.743 7.690 -3.402 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.461 9.850 -2.878 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.432 8.366 -4.554 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.259 9.693 -4.261 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.335 11.131 -2.322 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.941 10.762 -5.096 1.00 0.00 C ATOM 406 CZ3 TRP A 32 7.019 12.189 -3.152 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.825 12.000 -4.525 1.00 0.00 C ATOM 0 H TRP A 32 6.389 5.870 -1.617 1.00 0.00 H new ATOM 0 HA TRP A 32 7.227 7.235 0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.152 9.136 -0.336 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.015 7.700 -0.849 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.942 6.630 -3.341 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.344 7.948 -5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.482 11.288 -1.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.791 10.619 -6.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.920 13.180 -2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.579 12.848 -5.146 1.00 0.00 H new ATOM 418 N GLU A 33 5.335 8.971 0.526 1.00 0.00 N ATOM 419 CA GLU A 33 4.044 9.679 0.541 1.00 0.00 C ATOM 420 C GLU A 33 3.776 10.394 -0.790 1.00 0.00 C ATOM 421 O GLU A 33 4.513 11.307 -1.181 1.00 0.00 O ATOM 422 CB GLU A 33 4.006 10.684 1.697 1.00 0.00 C ATOM 423 CG GLU A 33 3.684 10.054 3.043 1.00 0.00 C ATOM 424 CD GLU A 33 3.430 11.087 4.124 1.00 0.00 C ATOM 425 OE1 GLU A 33 4.413 11.587 4.710 1.00 0.00 O ATOM 426 OE2 GLU A 33 2.248 11.395 4.384 1.00 0.00 O1- ATOM 0 H GLU A 33 6.005 9.316 1.213 1.00 0.00 H new ATOM 0 HA GLU A 33 3.259 8.936 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.971 11.186 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.262 11.450 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.806 9.417 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.511 9.411 3.346 1.00 0.00 H new ATOM 433 N GLY A 34 2.717 9.951 -1.476 1.00 0.00 N ATOM 434 CA GLY A 34 2.343 10.518 -2.762 1.00 0.00 C ATOM 435 C GLY A 34 2.844 9.682 -3.925 1.00 0.00 C ATOM 436 O GLY A 34 3.051 10.204 -5.025 1.00 0.00 O ATOM 0 H GLY A 34 2.107 9.199 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.258 10.602 -2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.745 11.528 -2.843 1.00 0.00 H new ATOM 440 N GLN A 35 3.039 8.381 -3.675 1.00 0.00 N ATOM 441 CA GLN A 35 3.514 7.451 -4.691 1.00 0.00 C ATOM 442 C GLN A 35 2.336 6.641 -5.229 1.00 0.00 C ATOM 443 O GLN A 35 1.683 5.914 -4.474 1.00 0.00 O ATOM 444 CB GLN A 35 4.614 6.538 -4.083 1.00 0.00 C ATOM 445 CG GLN A 35 4.855 5.201 -4.805 1.00 0.00 C ATOM 446 CD GLN A 35 6.272 5.039 -5.330 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.887 5.983 -5.830 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.792 3.820 -5.229 1.00 0.00 N ATOM 0 H GLN A 35 2.871 7.951 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 35 3.955 7.995 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.552 7.094 -4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.351 6.326 -3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.635 4.383 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.156 5.116 -5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.248 3.067 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.735 3.638 -5.572 1.00 0.00 H new ATOM 457 N ASP A 36 2.064 6.778 -6.537 1.00 0.00 N ATOM 458 CA ASP A 36 0.974 6.027 -7.172 1.00 0.00 C ATOM 459 C ASP A 36 1.367 4.556 -7.234 1.00 0.00 C ATOM 460 O ASP A 36 2.275 4.164 -7.976 1.00 0.00 O ATOM 461 CB ASP A 36 0.636 6.568 -8.567 1.00 0.00 C ATOM 462 CG ASP A 36 0.065 7.974 -8.529 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.858 8.934 -8.423 1.00 0.00 O ATOM 464 OD2 ASP A 36 -1.173 8.115 -8.608 1.00 0.00 O1- ATOM 0 H ASP A 36 2.578 7.394 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 36 0.071 6.144 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.536 6.563 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.082 5.902 -9.046 1.00 0.00 H new ATOM 469 N VAL A 37 0.678 3.768 -6.425 1.00 0.00 N ATOM 470 CA VAL A 37 0.947 2.345 -6.291 1.00 0.00 C ATOM 471 C VAL A 37 -0.201 1.478 -6.788 1.00 0.00 C ATOM 472 O VAL A 37 -1.314 1.959 -7.022 1.00 0.00 O ATOM 473 CB VAL A 37 1.219 1.975 -4.800 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.551 2.549 -4.338 1.00 0.00 C ATOM 475 CG2 VAL A 37 0.070 2.422 -3.870 1.00 0.00 C ATOM 0 H VAL A 37 -0.088 4.099 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 37 1.824 2.148 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 37 1.271 0.888 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.721 2.279 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.355 2.145 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.532 3.635 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.304 2.143 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.050 3.503 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.856 1.935 -4.176 1.00 0.00 H new ATOM 485 N LEU A 38 0.106 0.194 -6.944 1.00 0.00 N ATOM 486 CA LEU A 38 -0.862 -0.794 -7.363 1.00 0.00 C ATOM 487 C LEU A 38 -0.963 -1.857 -6.289 1.00 0.00 C ATOM 488 O LEU A 38 -0.104 -2.739 -6.164 1.00 0.00 O ATOM 489 CB LEU A 38 -0.466 -1.385 -8.719 1.00 0.00 C ATOM 490 CG LEU A 38 -0.582 -0.417 -9.901 1.00 0.00 C ATOM 491 CD1 LEU A 38 0.148 -0.966 -11.117 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.042 -0.147 -10.227 1.00 0.00 C ATOM 0 H LEU A 38 1.039 -0.184 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.842 -0.334 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.563 -1.740 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.092 -2.255 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.114 0.526 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.054 -0.264 -11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.202 -1.104 -10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.288 -1.924 -11.401 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.105 0.542 -11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.536 -1.083 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.533 0.294 -9.359 1.00 0.00 H new ATOM 504 N ALA A 39 -2.027 -1.738 -5.504 1.00 0.00 N ATOM 505 CA ALA A 39 -2.297 -2.644 -4.405 1.00 0.00 C ATOM 506 C ALA A 39 -3.169 -3.803 -4.878 1.00 0.00 C ATOM 507 O ALA A 39 -4.370 -3.641 -5.123 1.00 0.00 O ATOM 508 CB ALA A 39 -2.962 -1.870 -3.275 1.00 0.00 C ATOM 0 H ALA A 39 -2.728 -1.005 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.364 -3.068 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.168 -2.545 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.298 -1.074 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.897 -1.437 -3.631 1.00 0.00 H new ATOM 514 N ARG A 40 -2.545 -4.972 -5.019 1.00 0.00 N ATOM 515 CA ARG A 40 -3.228 -6.182 -5.475 1.00 0.00 C ATOM 516 C ARG A 40 -4.191 -6.710 -4.407 1.00 0.00 C ATOM 517 O ARG A 40 -3.805 -6.885 -3.247 1.00 0.00 O ATOM 518 CB ARG A 40 -2.194 -7.254 -5.809 1.00 0.00 C ATOM 519 CG ARG A 40 -2.449 -7.990 -7.119 1.00 0.00 C ATOM 520 CD ARG A 40 -1.157 -8.525 -7.719 1.00 0.00 C ATOM 521 NE ARG A 40 -0.395 -7.478 -8.411 1.00 0.00 N ATOM 522 CZ ARG A 40 0.942 -7.360 -8.381 1.00 0.00 C ATOM 523 NH1 ARG A 40 1.694 -8.218 -7.694 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 1.526 -6.373 -9.046 1.00 0.00 N ATOM 0 H ARG A 40 -1.554 -5.107 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.808 -5.935 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.209 -6.790 -5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.167 -7.981 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.140 -8.815 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.929 -7.316 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.543 -8.958 -6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.388 -9.328 -8.419 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.919 -6.791 -8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.256 -8.981 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.708 -8.112 -7.683 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.960 -5.710 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.541 -6.277 -9.028 1.00 0.00 H new ATOM 538 N TRP A 41 -5.441 -6.953 -4.813 1.00 0.00 N ATOM 539 CA TRP A 41 -6.470 -7.456 -3.901 1.00 0.00 C ATOM 540 C TRP A 41 -6.513 -8.993 -3.914 1.00 0.00 C ATOM 541 O TRP A 41 -6.071 -9.628 -4.876 1.00 0.00 O ATOM 542 CB TRP A 41 -7.836 -6.834 -4.257 1.00 0.00 C ATOM 543 CG TRP A 41 -8.921 -7.082 -3.238 1.00 0.00 C ATOM 544 CD1 TRP A 41 -10.100 -7.731 -3.456 1.00 0.00 C ATOM 545 CD2 TRP A 41 -8.933 -6.683 -1.855 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.843 -7.767 -2.300 1.00 0.00 N ATOM 547 CE2 TRP A 41 -10.148 -7.132 -1.303 1.00 0.00 C ATOM 548 CE3 TRP A 41 -8.035 -5.994 -1.028 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -10.488 -6.916 0.029 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -8.376 -5.781 0.295 1.00 0.00 C ATOM 551 CH2 TRP A 41 -9.593 -6.241 0.812 1.00 0.00 C ATOM 0 H TRP A 41 -5.764 -6.809 -5.770 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.221 -7.157 -2.883 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.710 -5.758 -4.381 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.161 -7.229 -5.219 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.406 -8.156 -4.401 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -11.763 -8.197 -2.200 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -7.093 -5.636 -1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.426 -7.269 0.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.692 -5.251 0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -9.830 -6.059 1.850 1.00 0.00 H new ATOM 562 N THR A 42 -7.055 -9.571 -2.829 1.00 0.00 N ATOM 563 CA THR A 42 -7.143 -11.035 -2.652 1.00 0.00 C ATOM 564 C THR A 42 -8.173 -11.717 -3.582 1.00 0.00 C ATOM 565 O THR A 42 -8.242 -12.949 -3.622 1.00 0.00 O ATOM 566 CB THR A 42 -7.431 -11.404 -1.161 1.00 0.00 C ATOM 567 OG1 THR A 42 -7.497 -12.829 -1.002 1.00 0.00 O ATOM 568 CG2 THR A 42 -8.727 -10.775 -0.637 1.00 0.00 C ATOM 0 H THR A 42 -7.444 -9.040 -2.050 1.00 0.00 H new ATOM 0 HA THR A 42 -6.166 -11.423 -2.940 1.00 0.00 H new ATOM 0 HB THR A 42 -6.605 -11.000 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.737 -13.243 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.877 -11.065 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.658 -9.689 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.569 -11.123 -1.236 1.00 0.00 H new ATOM 576 N ASP A 43 -8.956 -10.920 -4.316 1.00 0.00 N ATOM 577 CA ASP A 43 -9.963 -11.459 -5.237 1.00 0.00 C ATOM 578 C ASP A 43 -9.401 -11.587 -6.663 1.00 0.00 C ATOM 579 O ASP A 43 -10.113 -12.005 -7.584 1.00 0.00 O ATOM 580 CB ASP A 43 -11.219 -10.575 -5.224 1.00 0.00 C ATOM 581 CG ASP A 43 -12.478 -11.343 -5.584 1.00 0.00 C ATOM 582 OD1 ASP A 43 -13.071 -11.969 -4.681 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -12.870 -11.318 -6.770 1.00 0.00 O ATOM 0 H ASP A 43 -8.912 -9.901 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.235 -12.459 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.338 -10.134 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.087 -9.752 -5.926 1.00 0.00 H new ATOM 588 N GLY A 44 -8.118 -11.235 -6.827 1.00 0.00 N ATOM 589 CA GLY A 44 -7.468 -11.311 -8.128 1.00 0.00 C ATOM 590 C GLY A 44 -7.483 -9.992 -8.886 1.00 0.00 C ATOM 591 O GLY A 44 -6.864 -9.881 -9.948 1.00 0.00 O ATOM 0 H GLY A 44 -7.518 -10.897 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.435 -11.632 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.963 -12.074 -8.730 1.00 0.00 H new ATOM 595 N LEU A 45 -8.190 -8.997 -8.337 1.00 0.00 N ATOM 596 CA LEU A 45 -8.295 -7.678 -8.957 1.00 0.00 C ATOM 597 C LEU A 45 -7.276 -6.705 -8.369 1.00 0.00 C ATOM 598 O LEU A 45 -6.941 -6.785 -7.184 1.00 0.00 O ATOM 599 CB LEU A 45 -9.708 -7.122 -8.777 1.00 0.00 C ATOM 600 CG LEU A 45 -10.788 -7.833 -9.592 1.00 0.00 C ATOM 601 CD1 LEU A 45 -11.986 -8.157 -8.718 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.204 -6.983 -10.781 1.00 0.00 C ATOM 0 H LEU A 45 -8.700 -9.085 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.083 -7.791 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.973 -7.179 -7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.705 -6.066 -9.048 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.377 -8.769 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.745 -8.663 -9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.675 -8.807 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.400 -7.234 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.974 -7.505 -11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.598 -6.030 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.339 -6.803 -11.420 1.00 0.00 H new ATOM 614 N LEU A 46 -6.791 -5.793 -9.218 1.00 0.00 N ATOM 615 CA LEU A 46 -5.813 -4.780 -8.824 1.00 0.00 C ATOM 616 C LEU A 46 -6.517 -3.519 -8.303 1.00 0.00 C ATOM 617 O LEU A 46 -7.685 -3.277 -8.622 1.00 0.00 O ATOM 618 CB LEU A 46 -4.930 -4.433 -10.034 1.00 0.00 C ATOM 619 CG LEU A 46 -3.725 -3.527 -9.780 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.664 -4.233 -8.944 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.157 -3.089 -11.114 1.00 0.00 C ATOM 0 H LEU A 46 -7.067 -5.738 -10.198 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.193 -5.177 -8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.567 -5.365 -10.466 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.559 -3.957 -10.786 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.047 -2.654 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.821 -3.561 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.090 -4.519 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.321 -5.125 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.296 -2.442 -10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.847 -3.966 -11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.918 -2.544 -11.672 1.00 0.00 H new ATOM 633 N TYR A 47 -5.779 -2.714 -7.527 1.00 0.00 N ATOM 634 CA TYR A 47 -6.305 -1.480 -6.939 1.00 0.00 C ATOM 635 C TYR A 47 -5.286 -0.354 -7.106 1.00 0.00 C ATOM 636 O TYR A 47 -4.109 -0.531 -6.782 1.00 0.00 O ATOM 637 CB TYR A 47 -6.598 -1.656 -5.430 1.00 0.00 C ATOM 638 CG TYR A 47 -7.793 -2.528 -5.016 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.716 -3.053 -5.925 1.00 0.00 C ATOM 640 CD2 TYR A 47 -7.997 -2.804 -3.668 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.787 -3.815 -5.502 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.065 -3.569 -3.241 1.00 0.00 C ATOM 643 CZ TYR A 47 -9.957 -4.070 -4.162 1.00 0.00 C ATOM 644 OH TYR A 47 -11.024 -4.830 -3.740 1.00 0.00 O ATOM 0 H TYR A 47 -4.804 -2.901 -7.291 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.234 -1.237 -7.455 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.705 -2.073 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.746 -0.664 -5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.589 -2.859 -6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.304 -2.411 -2.938 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.489 -4.209 -6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.200 -3.773 -2.189 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.706 -5.715 -3.463 1.00 0.00 H new ATOM 654 N LEU A 48 -5.736 0.798 -7.616 1.00 0.00 N ATOM 655 CA LEU A 48 -4.859 1.955 -7.802 1.00 0.00 C ATOM 656 C LEU A 48 -5.000 2.907 -6.616 1.00 0.00 C ATOM 657 O LEU A 48 -6.111 3.314 -6.264 1.00 0.00 O ATOM 658 CB LEU A 48 -5.165 2.673 -9.135 1.00 0.00 C ATOM 659 CG LEU A 48 -4.371 3.968 -9.420 1.00 0.00 C ATOM 660 CD1 LEU A 48 -2.934 3.662 -9.832 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.068 4.787 -10.496 1.00 0.00 C ATOM 0 H LEU A 48 -6.702 0.952 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.826 1.609 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.979 1.973 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.228 2.913 -9.157 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.336 4.549 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.404 4.595 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.433 3.119 -9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.937 3.053 -10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.498 5.696 -10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.135 4.201 -11.413 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.071 5.051 -10.160 1.00 0.00 H new ATOM 673 N GLY A 49 -3.859 3.249 -6.019 1.00 0.00 N ATOM 674 CA GLY A 49 -3.852 4.141 -4.865 1.00 0.00 C ATOM 675 C GLY A 49 -2.548 4.890 -4.694 1.00 0.00 C ATOM 676 O GLY A 49 -1.548 4.529 -5.299 1.00 0.00 O ATOM 0 H GLY A 49 -2.938 2.925 -6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.665 4.860 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.050 3.560 -3.964 1.00 0.00 H new ATOM 680 N THR A 50 -2.575 5.952 -3.883 1.00 0.00 N ATOM 681 CA THR A 50 -1.376 6.748 -3.598 1.00 0.00 C ATOM 682 C THR A 50 -0.951 6.524 -2.154 1.00 0.00 C ATOM 683 O THR A 50 -1.795 6.324 -1.282 1.00 0.00 O ATOM 684 CB THR A 50 -1.576 8.259 -3.853 1.00 0.00 C ATOM 685 OG1 THR A 50 -2.847 8.507 -4.473 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.460 8.796 -4.744 1.00 0.00 C ATOM 0 H THR A 50 -3.417 6.282 -3.411 1.00 0.00 H new ATOM 0 HA THR A 50 -0.599 6.413 -4.285 1.00 0.00 H new ATOM 0 HB THR A 50 -1.548 8.771 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.955 9.469 -4.624 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.613 9.861 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.502 8.641 -4.255 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.471 8.269 -5.698 1.00 0.00 H new ATOM 694 N ILE A 51 0.358 6.580 -1.905 1.00 0.00 N ATOM 695 CA ILE A 51 0.916 6.328 -0.568 1.00 0.00 C ATOM 696 C ILE A 51 0.678 7.483 0.408 1.00 0.00 C ATOM 697 O ILE A 51 1.128 8.609 0.191 1.00 0.00 O ATOM 698 CB ILE A 51 2.437 5.976 -0.654 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.645 4.740 -1.560 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.066 5.736 0.734 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.060 3.446 -1.008 1.00 0.00 C ATOM 0 H ILE A 51 1.058 6.799 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 51 0.379 5.468 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 51 2.945 6.837 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.198 4.940 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.714 4.600 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.123 5.495 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.963 6.636 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.557 4.907 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.252 2.632 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.524 3.217 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.985 3.562 -0.872 1.00 0.00 H new ATOM 713 N LYS A 52 -0.044 7.160 1.481 1.00 0.00 N ATOM 714 CA LYS A 52 -0.349 8.112 2.546 1.00 0.00 C ATOM 715 C LYS A 52 0.620 7.932 3.718 1.00 0.00 C ATOM 716 O LYS A 52 0.906 8.887 4.446 1.00 0.00 O ATOM 717 CB LYS A 52 -1.794 7.927 3.030 1.00 0.00 C ATOM 718 CG LYS A 52 -2.687 9.147 2.818 1.00 0.00 C ATOM 719 CD LYS A 52 -2.721 10.036 4.052 1.00 0.00 C ATOM 720 CE LYS A 52 -3.483 11.326 3.787 1.00 0.00 C ATOM 721 NZ LYS A 52 -4.173 11.826 5.009 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.434 6.230 1.635 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.236 9.120 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.233 7.075 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.781 7.681 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.324 9.721 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.698 8.821 2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.189 9.498 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.702 10.270 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.793 12.087 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.217 11.158 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.722 12.678 4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.813 11.091 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.467 12.059 5.736 1.00 0.00 H new ATOM 735 N LYS A 53 1.121 6.692 3.891 1.00 0.00 N ATOM 736 CA LYS A 53 2.062 6.361 4.963 1.00 0.00 C ATOM 737 C LYS A 53 3.042 5.284 4.488 1.00 0.00 C ATOM 738 O LYS A 53 2.763 4.564 3.525 1.00 0.00 O ATOM 739 CB LYS A 53 1.313 5.881 6.214 1.00 0.00 C ATOM 740 CG LYS A 53 1.945 6.344 7.528 1.00 0.00 C ATOM 741 CD LYS A 53 1.973 5.229 8.572 1.00 0.00 C ATOM 742 CE LYS A 53 3.186 4.323 8.395 1.00 0.00 C ATOM 743 NZ LYS A 53 4.383 4.848 9.108 1.00 0.00 N1+ ATOM 0 H LYS A 53 0.882 5.902 3.292 1.00 0.00 H new ATOM 0 HA LYS A 53 2.621 7.260 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.285 6.240 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.271 4.792 6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.961 6.690 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.386 7.194 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.987 5.666 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.061 4.636 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.951 3.326 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.412 4.222 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.226 4.720 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.251 5.860 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.509 4.331 10.002 1.00 0.00 H new ATOM 757 N VAL A 54 4.181 5.174 5.180 1.00 0.00 N ATOM 758 CA VAL A 54 5.219 4.199 4.824 1.00 0.00 C ATOM 759 C VAL A 54 5.792 3.518 6.072 1.00 0.00 C ATOM 760 O VAL A 54 6.111 4.175 7.066 1.00 0.00 O ATOM 761 CB VAL A 54 6.377 4.854 3.998 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.552 3.893 3.797 1.00 0.00 C ATOM 763 CG2 VAL A 54 5.880 5.331 2.637 1.00 0.00 C ATOM 0 H VAL A 54 4.408 5.749 5.991 1.00 0.00 H new ATOM 0 HA VAL A 54 4.739 3.446 4.199 1.00 0.00 H new ATOM 0 HB VAL A 54 6.725 5.710 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.332 4.388 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.951 3.598 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.210 3.008 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.705 5.781 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.488 4.483 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.091 6.070 2.776 1.00 0.00 H new ATOM 773 N ASP A 55 5.916 2.193 5.983 1.00 0.00 N ATOM 774 CA ASP A 55 6.469 1.368 7.053 1.00 0.00 C ATOM 775 C ASP A 55 7.655 0.555 6.513 1.00 0.00 C ATOM 776 O ASP A 55 7.511 -0.612 6.125 1.00 0.00 O ATOM 777 CB ASP A 55 5.384 0.445 7.634 1.00 0.00 C ATOM 778 CG ASP A 55 4.636 1.086 8.789 1.00 0.00 C ATOM 779 OD1 ASP A 55 5.280 1.406 9.811 1.00 0.00 O ATOM 780 OD2 ASP A 55 3.407 1.267 8.672 1.00 0.00 O1- ATOM 0 H ASP A 55 5.633 1.661 5.160 1.00 0.00 H new ATOM 0 HA ASP A 55 6.824 2.011 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.676 0.181 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.844 -0.483 7.973 1.00 0.00 H new ATOM 785 N SER A 56 8.833 1.199 6.477 1.00 0.00 N ATOM 786 CA SER A 56 10.069 0.578 5.973 1.00 0.00 C ATOM 787 C SER A 56 10.697 -0.410 6.976 1.00 0.00 C ATOM 788 O SER A 56 11.750 -0.996 6.699 1.00 0.00 O ATOM 789 CB SER A 56 11.083 1.668 5.612 1.00 0.00 C ATOM 790 OG SER A 56 10.523 2.610 4.713 1.00 0.00 O ATOM 0 H SER A 56 8.955 2.160 6.795 1.00 0.00 H new ATOM 0 HA SER A 56 9.800 0.002 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.412 2.177 6.518 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.966 1.213 5.163 1.00 0.00 H new ATOM 0 HG SER A 56 10.145 2.140 3.940 1.00 0.00 H new ATOM 796 N ALA A 57 10.039 -0.600 8.127 1.00 0.00 N ATOM 797 CA ALA A 57 10.526 -1.515 9.165 1.00 0.00 C ATOM 798 C ALA A 57 9.988 -2.935 8.960 1.00 0.00 C ATOM 799 O ALA A 57 10.731 -3.911 9.103 1.00 0.00 O ATOM 800 CB ALA A 57 10.149 -0.994 10.545 1.00 0.00 C ATOM 0 H ALA A 57 9.165 -0.130 8.362 1.00 0.00 H new ATOM 0 HA ALA A 57 11.612 -1.561 9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.516 -1.682 11.306 1.00 0.00 H new ATOM 0 HB2 ALA A 57 10.596 -0.012 10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.064 -0.915 10.620 1.00 0.00 H new ATOM 806 N ARG A 58 8.695 -3.036 8.627 1.00 0.00 N ATOM 807 CA ARG A 58 8.041 -4.327 8.397 1.00 0.00 C ATOM 808 C ARG A 58 7.731 -4.547 6.905 1.00 0.00 C ATOM 809 O ARG A 58 7.043 -5.508 6.542 1.00 0.00 O ATOM 810 CB ARG A 58 6.749 -4.410 9.224 1.00 0.00 C ATOM 811 CG ARG A 58 6.965 -4.790 10.686 1.00 0.00 C ATOM 812 CD ARG A 58 7.048 -3.562 11.581 1.00 0.00 C ATOM 813 NE ARG A 58 7.164 -3.923 12.998 1.00 0.00 N ATOM 814 CZ ARG A 58 8.062 -3.403 13.848 1.00 0.00 C ATOM 815 NH1 ARG A 58 8.944 -2.488 13.450 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 8.074 -3.805 15.112 1.00 0.00 N ATOM 0 H ARG A 58 8.079 -2.232 8.511 1.00 0.00 H new ATOM 0 HA ARG A 58 8.727 -5.114 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.242 -3.446 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.083 -5.141 8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.148 -5.429 11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.883 -5.371 10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.907 -2.958 11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.161 -2.946 11.435 1.00 0.00 H new ATOM 0 HE ARG A 58 6.515 -4.620 13.363 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.946 -2.169 12.481 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.618 -2.106 14.114 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.404 -4.504 15.431 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.754 -3.415 15.765 1.00 0.00 H new ATOM 830 N GLU A 59 8.263 -3.654 6.038 1.00 0.00 N ATOM 831 CA GLU A 59 8.057 -3.712 4.568 1.00 0.00 C ATOM 832 C GLU A 59 6.569 -3.558 4.207 1.00 0.00 C ATOM 833 O GLU A 59 6.007 -4.337 3.425 1.00 0.00 O ATOM 834 CB GLU A 59 8.647 -5.006 3.966 1.00 0.00 C ATOM 835 CG GLU A 59 10.169 -5.019 3.913 1.00 0.00 C ATOM 836 CD GLU A 59 10.711 -4.468 2.608 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.581 -5.157 1.573 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.267 -3.349 2.621 1.00 0.00 O1- ATOM 0 H GLU A 59 8.847 -2.873 6.336 1.00 0.00 H new ATOM 0 HA GLU A 59 8.594 -2.871 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.306 -5.858 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.256 -5.138 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.563 -4.432 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.525 -6.040 4.048 1.00 0.00 H new ATOM 845 N VAL A 60 5.947 -2.529 4.794 1.00 0.00 N ATOM 846 CA VAL A 60 4.526 -2.228 4.573 1.00 0.00 C ATOM 847 C VAL A 60 4.339 -0.725 4.311 1.00 0.00 C ATOM 848 O VAL A 60 5.229 0.073 4.607 1.00 0.00 O ATOM 849 CB VAL A 60 3.639 -2.644 5.791 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.182 -2.837 5.381 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.150 -3.913 6.473 1.00 0.00 C ATOM 0 H VAL A 60 6.411 -1.884 5.433 1.00 0.00 H new ATOM 0 HA VAL A 60 4.208 -2.807 3.706 1.00 0.00 H new ATOM 0 HB VAL A 60 3.702 -1.824 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.594 -3.126 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.792 -1.904 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.117 -3.619 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.501 -4.161 7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.149 -4.736 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.165 -3.748 6.835 1.00 0.00 H new ATOM 861 N CYS A 61 3.182 -0.358 3.735 1.00 0.00 N ATOM 862 CA CYS A 61 2.849 1.045 3.438 1.00 0.00 C ATOM 863 C CYS A 61 1.346 1.238 3.363 1.00 0.00 C ATOM 864 O CYS A 61 0.620 0.348 2.911 1.00 0.00 O ATOM 865 CB CYS A 61 3.471 1.503 2.117 1.00 0.00 C ATOM 866 SG CYS A 61 5.161 2.106 2.299 1.00 0.00 S ATOM 0 H CYS A 61 2.456 -1.021 3.464 1.00 0.00 H new ATOM 0 HA CYS A 61 3.258 1.646 4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.463 0.672 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.855 2.293 1.687 1.00 0.00 H new ATOM 0 HG CYS A 61 5.658 1.673 3.419 1.00 0.00 H new ATOM 872 N LEU A 62 0.892 2.409 3.810 1.00 0.00 N ATOM 873 CA LEU A 62 -0.521 2.755 3.770 1.00 0.00 C ATOM 874 C LEU A 62 -0.776 3.623 2.556 1.00 0.00 C ATOM 875 O LEU A 62 -0.024 4.564 2.293 1.00 0.00 O ATOM 876 CB LEU A 62 -0.966 3.489 5.046 1.00 0.00 C ATOM 877 CG LEU A 62 -2.336 3.082 5.647 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.433 2.979 4.580 1.00 0.00 C ATOM 879 CD2 LEU A 62 -2.221 1.775 6.420 1.00 0.00 C ATOM 0 H LEU A 62 1.490 3.135 4.205 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.102 1.835 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.202 3.337 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.994 4.557 4.831 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.628 3.875 6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.373 2.691 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.554 3.944 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.153 2.228 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.194 1.509 6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.883 0.985 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.503 1.894 7.232 1.00 0.00 H new ATOM 891 N VAL A 63 -1.834 3.297 1.823 1.00 0.00 N ATOM 892 CA VAL A 63 -2.167 4.021 0.604 1.00 0.00 C ATOM 893 C VAL A 63 -3.659 4.340 0.533 1.00 0.00 C ATOM 894 O VAL A 63 -4.500 3.543 0.961 1.00 0.00 O ATOM 895 CB VAL A 63 -1.688 3.238 -0.676 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.057 1.897 -0.320 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.801 3.028 -1.689 1.00 0.00 C ATOM 0 H VAL A 63 -2.475 2.537 2.052 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.631 4.970 0.631 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.931 3.872 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.741 1.390 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.192 2.061 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.786 1.279 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.412 2.483 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.607 2.455 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.184 3.995 -2.015 1.00 0.00 H new ATOM 907 N GLN A 64 -3.961 5.520 -0.017 1.00 0.00 N ATOM 908 CA GLN A 64 -5.337 5.971 -0.210 1.00 0.00 C ATOM 909 C GLN A 64 -5.764 5.587 -1.623 1.00 0.00 C ATOM 910 O GLN A 64 -4.990 5.742 -2.571 1.00 0.00 O ATOM 911 CB GLN A 64 -5.463 7.489 -0.004 1.00 0.00 C ATOM 912 CG GLN A 64 -6.880 7.953 0.359 1.00 0.00 C ATOM 913 CD GLN A 64 -6.934 8.775 1.637 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.332 8.420 2.654 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.669 9.881 1.593 1.00 0.00 N ATOM 0 H GLN A 64 -3.259 6.186 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.984 5.495 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.777 7.797 0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.148 7.997 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.283 8.545 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.524 7.080 0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.151 10.139 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.751 10.472 2.420 1.00 0.00 H new ATOM 924 N PHE A 65 -6.988 5.097 -1.758 1.00 0.00 N ATOM 925 CA PHE A 65 -7.490 4.639 -3.046 1.00 0.00 C ATOM 926 C PHE A 65 -8.510 5.600 -3.654 1.00 0.00 C ATOM 927 O PHE A 65 -9.025 6.488 -2.968 1.00 0.00 O ATOM 928 CB PHE A 65 -8.058 3.232 -2.860 1.00 0.00 C ATOM 929 CG PHE A 65 -6.994 2.236 -2.470 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.561 2.120 -1.155 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.409 1.442 -3.426 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.570 1.223 -0.815 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.418 0.543 -3.093 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.999 0.434 -1.787 1.00 0.00 C ATOM 0 H PHE A 65 -7.653 5.006 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.670 4.612 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.833 3.253 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.534 2.909 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.006 2.739 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.730 1.523 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.243 1.140 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.971 -0.075 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.223 -0.270 -1.525 1.00 0.00 H new ATOM 944 N GLU A 66 -8.792 5.407 -4.959 1.00 0.00 N ATOM 945 CA GLU A 66 -9.725 6.263 -5.713 1.00 0.00 C ATOM 946 C GLU A 66 -11.124 6.315 -5.096 1.00 0.00 C ATOM 947 O GLU A 66 -11.745 7.382 -5.079 1.00 0.00 O ATOM 948 CB GLU A 66 -9.818 5.816 -7.171 1.00 0.00 C ATOM 949 CG GLU A 66 -9.865 6.988 -8.147 1.00 0.00 C ATOM 950 CD GLU A 66 -8.487 7.544 -8.485 1.00 0.00 C ATOM 951 OE1 GLU A 66 -7.754 7.935 -7.550 1.00 0.00 O ATOM 952 OE2 GLU A 66 -8.144 7.598 -9.684 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.381 4.657 -5.515 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.314 7.271 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.961 5.186 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.710 5.204 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.356 6.668 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.476 7.783 -7.720 1.00 0.00 H new ATOM 959 N ASP A 67 -11.623 5.173 -4.594 1.00 0.00 N ATOM 960 CA ASP A 67 -12.949 5.142 -3.975 1.00 0.00 C ATOM 961 C ASP A 67 -12.872 5.502 -2.467 1.00 0.00 C ATOM 962 O ASP A 67 -13.660 5.015 -1.647 1.00 0.00 O ATOM 963 CB ASP A 67 -13.604 3.771 -4.236 1.00 0.00 C ATOM 964 CG ASP A 67 -15.084 3.728 -3.887 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.881 4.369 -4.604 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.441 3.052 -2.900 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.135 4.277 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.584 5.903 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.479 3.512 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.080 3.011 -3.656 1.00 0.00 H new ATOM 971 N ASP A 68 -11.900 6.388 -2.123 1.00 0.00 N ATOM 972 CA ASP A 68 -11.675 6.898 -0.747 1.00 0.00 C ATOM 973 C ASP A 68 -11.524 5.778 0.300 1.00 0.00 C ATOM 974 O ASP A 68 -12.290 5.704 1.271 1.00 0.00 O ATOM 975 CB ASP A 68 -12.789 7.884 -0.341 1.00 0.00 C ATOM 976 CG ASP A 68 -12.689 9.207 -1.076 1.00 0.00 C ATOM 977 OD1 ASP A 68 -11.970 10.104 -0.591 1.00 0.00 O ATOM 978 OD2 ASP A 68 -13.332 9.345 -2.138 1.00 0.00 O1- ATOM 0 H ASP A 68 -11.244 6.772 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.722 7.427 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.761 7.433 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.737 8.064 0.733 1.00 0.00 H new ATOM 983 N SER A 69 -10.531 4.910 0.093 1.00 0.00 N ATOM 984 CA SER A 69 -10.272 3.805 1.015 1.00 0.00 C ATOM 985 C SER A 69 -8.839 3.811 1.518 1.00 0.00 C ATOM 986 O SER A 69 -7.895 3.907 0.730 1.00 0.00 O ATOM 987 CB SER A 69 -10.565 2.456 0.349 1.00 0.00 C ATOM 988 OG SER A 69 -11.029 1.513 1.299 1.00 0.00 O ATOM 0 H SER A 69 -9.895 4.952 -0.703 1.00 0.00 H new ATOM 0 HA SER A 69 -10.939 3.945 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.312 2.587 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.662 2.080 -0.132 1.00 0.00 H new ATOM 0 HG SER A 69 -11.211 0.660 0.852 1.00 0.00 H new ATOM 994 N GLN A 70 -8.691 3.732 2.843 1.00 0.00 N ATOM 995 CA GLN A 70 -7.379 3.658 3.475 1.00 0.00 C ATOM 996 C GLN A 70 -7.098 2.190 3.770 1.00 0.00 C ATOM 997 O GLN A 70 -7.514 1.649 4.803 1.00 0.00 O ATOM 998 CB GLN A 70 -7.324 4.512 4.748 1.00 0.00 C ATOM 999 CG GLN A 70 -6.726 5.895 4.525 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.210 5.901 4.582 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.616 5.743 5.649 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.574 6.083 3.430 1.00 0.00 N ATOM 0 H GLN A 70 -9.472 3.718 3.499 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.614 4.059 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.332 4.621 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.737 3.988 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.049 6.273 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.115 6.579 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.105 6.210 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.554 6.096 3.407 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.397 1.555 2.836 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.108 0.132 2.921 1.00 0.00 C ATOM 1013 C PHE A 71 -4.610 -0.135 3.042 1.00 0.00 C ATOM 1014 O PHE A 71 -3.812 0.320 2.217 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.707 -0.546 1.672 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.048 -1.242 1.852 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.876 -1.011 2.955 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.484 -2.130 0.885 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.091 -1.656 3.077 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.701 -2.777 1.005 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.502 -2.542 2.102 1.00 0.00 C ATOM 0 H PHE A 71 -6.017 2.010 2.006 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.558 -0.284 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.817 0.209 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.989 -1.279 1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.561 -0.319 3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.864 -2.321 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.719 -1.467 3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.024 -3.466 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.450 -3.051 2.198 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.255 -0.884 4.097 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.870 -1.255 4.402 1.00 0.00 C ATOM 1033 C LEU A 72 -2.370 -2.336 3.431 1.00 0.00 C ATOM 1034 O LEU A 72 -2.912 -3.447 3.393 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.805 -1.753 5.856 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.404 -1.969 6.440 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -1.290 -1.321 7.810 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -1.095 -3.455 6.529 1.00 0.00 C ATOM 0 H LEU A 72 -4.930 -1.251 4.767 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.222 -0.386 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.331 -1.036 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.351 -2.694 5.920 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.677 -1.500 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.289 -1.485 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.475 -0.250 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.025 -1.762 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.097 -3.595 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.828 -3.941 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.138 -3.896 5.533 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.344 -1.992 2.648 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.774 -2.927 1.663 1.00 0.00 C ATOM 1052 C VAL A 73 0.696 -3.217 1.939 1.00 0.00 C ATOM 1053 O VAL A 73 1.423 -2.373 2.472 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.900 -2.421 0.196 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.081 -3.595 -0.767 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -2.036 -1.411 0.038 1.00 0.00 C ATOM 0 H VAL A 73 -0.890 -1.079 2.673 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.362 -3.838 1.772 1.00 0.00 H new ATOM 0 HB VAL A 73 0.029 -1.907 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.167 -3.219 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.220 -4.259 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.985 -4.144 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.090 -1.083 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.980 -1.878 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.850 -0.551 0.681 1.00 0.00 H new ATOM 1066 N LEU A 74 1.114 -4.428 1.551 1.00 0.00 N ATOM 1067 CA LEU A 74 2.494 -4.885 1.712 1.00 0.00 C ATOM 1068 C LEU A 74 3.314 -4.532 0.477 1.00 0.00 C ATOM 1069 O LEU A 74 2.782 -4.510 -0.635 1.00 0.00 O ATOM 1070 CB LEU A 74 2.546 -6.415 1.931 1.00 0.00 C ATOM 1071 CG LEU A 74 1.806 -6.999 3.161 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.082 -6.194 4.421 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.305 -7.105 2.906 1.00 0.00 C ATOM 0 H LEU A 74 0.501 -5.118 1.116 1.00 0.00 H new ATOM 0 HA LEU A 74 2.911 -4.385 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.141 -6.894 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.594 -6.707 2.002 1.00 0.00 H new ATOM 0 HG LEU A 74 2.196 -8.004 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.545 -6.636 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.152 -6.201 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.748 -5.167 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.186 -7.518 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.099 -6.115 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.126 -7.758 2.052 1.00 0.00 H new ATOM 1085 N TRP A 75 4.617 -4.286 0.673 1.00 0.00 N ATOM 1086 CA TRP A 75 5.533 -3.933 -0.432 1.00 0.00 C ATOM 1087 C TRP A 75 5.623 -5.042 -1.496 1.00 0.00 C ATOM 1088 O TRP A 75 6.114 -4.802 -2.603 1.00 0.00 O ATOM 1089 CB TRP A 75 6.939 -3.613 0.107 1.00 0.00 C ATOM 1090 CG TRP A 75 7.043 -2.333 0.908 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.037 -1.674 1.568 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.237 -1.565 1.145 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.529 -0.551 2.181 1.00 0.00 N ATOM 1094 CE2 TRP A 75 7.872 -0.462 1.941 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.579 -1.699 0.762 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.793 0.495 2.358 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.491 -0.747 1.180 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.093 0.338 1.971 1.00 0.00 C ATOM 0 H TRP A 75 5.066 -4.324 1.588 1.00 0.00 H new ATOM 0 HA TRP A 75 5.118 -3.047 -0.912 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.269 -4.443 0.732 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.629 -3.554 -0.735 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.006 -1.994 1.600 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.981 0.112 2.729 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.895 -2.531 0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.489 1.334 2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.527 -0.842 0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.829 1.065 2.281 1.00 0.00 H new ATOM 1109 N LYS A 76 5.144 -6.252 -1.150 1.00 0.00 N ATOM 1110 CA LYS A 76 5.151 -7.396 -2.079 1.00 0.00 C ATOM 1111 C LYS A 76 3.892 -7.405 -2.962 1.00 0.00 C ATOM 1112 O LYS A 76 3.934 -7.863 -4.108 1.00 0.00 O ATOM 1113 CB LYS A 76 5.295 -8.740 -1.330 1.00 0.00 C ATOM 1114 CG LYS A 76 4.439 -8.883 -0.070 1.00 0.00 C ATOM 1115 CD LYS A 76 4.726 -10.188 0.654 1.00 0.00 C ATOM 1116 CE LYS A 76 3.939 -10.292 1.950 1.00 0.00 C ATOM 1117 NZ LYS A 76 4.542 -11.278 2.888 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.748 -6.462 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 76 6.022 -7.278 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.040 -9.548 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.341 -8.873 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.632 -8.045 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.384 -8.840 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.474 -11.028 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.792 -10.259 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.897 -9.314 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.912 -10.582 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.976 -11.319 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.559 -12.217 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.513 -10.988 3.120 1.00 0.00 H new ATOM 1131 N ASP A 77 2.780 -6.894 -2.411 1.00 0.00 N ATOM 1132 CA ASP A 77 1.502 -6.818 -3.129 1.00 0.00 C ATOM 1133 C ASP A 77 1.341 -5.468 -3.839 1.00 0.00 C ATOM 1134 O ASP A 77 0.298 -5.194 -4.446 1.00 0.00 O ATOM 1135 CB ASP A 77 0.339 -7.029 -2.154 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.177 -8.454 -2.168 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.542 -9.351 -1.680 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -1.299 -8.674 -2.670 1.00 0.00 O1- ATOM 0 H ASP A 77 2.743 -6.524 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 77 1.494 -7.605 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.663 -6.773 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.474 -6.349 -2.410 1.00 0.00 H new ATOM 1143 N ILE A 78 2.388 -4.642 -3.773 1.00 0.00 N ATOM 1144 CA ILE A 78 2.372 -3.315 -4.380 1.00 0.00 C ATOM 1145 C ILE A 78 3.210 -3.274 -5.664 1.00 0.00 C ATOM 1146 O ILE A 78 4.292 -3.863 -5.738 1.00 0.00 O ATOM 1147 CB ILE A 78 2.863 -2.234 -3.369 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.859 -2.122 -2.208 1.00 0.00 C ATOM 1149 CG2 ILE A 78 3.046 -0.873 -4.048 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.416 -1.489 -0.953 1.00 0.00 C ATOM 0 H ILE A 78 3.262 -4.874 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 78 1.340 -3.091 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 78 3.835 -2.541 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.000 -1.540 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.493 -3.119 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.389 -0.143 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.784 -0.960 -4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.095 -0.545 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.639 -1.451 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.255 -2.081 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.755 -0.477 -1.176 1.00 0.00 H new ATOM 1162 N SER A 79 2.674 -2.565 -6.664 1.00 0.00 N ATOM 1163 CA SER A 79 3.332 -2.382 -7.956 1.00 0.00 C ATOM 1164 C SER A 79 3.290 -0.893 -8.342 1.00 0.00 C ATOM 1165 O SER A 79 2.217 -0.379 -8.665 1.00 0.00 O ATOM 1166 CB SER A 79 2.646 -3.234 -9.037 1.00 0.00 C ATOM 1167 OG SER A 79 3.599 -3.956 -9.798 1.00 0.00 O ATOM 0 H SER A 79 1.768 -2.102 -6.596 1.00 0.00 H new ATOM 0 HA SER A 79 4.370 -2.706 -7.878 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.948 -3.928 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.062 -2.591 -9.695 1.00 0.00 H new ATOM 0 HG SER A 79 3.138 -4.491 -10.477 1.00 0.00 H new ATOM 1173 N PRO A 80 4.443 -0.149 -8.297 1.00 0.00 N ATOM 1174 CA PRO A 80 4.468 1.290 -8.653 1.00 0.00 C ATOM 1175 C PRO A 80 3.862 1.577 -10.033 1.00 0.00 C ATOM 1176 O PRO A 80 4.305 1.031 -11.049 1.00 0.00 O ATOM 1177 CB PRO A 80 5.960 1.639 -8.625 1.00 0.00 C ATOM 1178 CG PRO A 80 6.553 0.658 -7.677 1.00 0.00 C ATOM 1179 CD PRO A 80 5.789 -0.621 -7.883 1.00 0.00 C ATOM 0 HA PRO A 80 3.866 1.885 -7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.406 1.554 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.122 2.663 -8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.615 0.516 -7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.464 1.006 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.249 -1.246 -8.648 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.744 -1.215 -6.970 1.00 0.00 H new ATOM 1187 N ALA A 81 2.832 2.436 -10.041 1.00 0.00 N ATOM 1188 CA ALA A 81 2.118 2.813 -11.265 1.00 0.00 C ATOM 1189 C ALA A 81 2.896 3.843 -12.091 1.00 0.00 C ATOM 1190 O ALA A 81 3.017 3.701 -13.311 1.00 0.00 O ATOM 1191 CB ALA A 81 0.736 3.352 -10.914 1.00 0.00 C ATOM 0 H ALA A 81 2.473 2.887 -9.200 1.00 0.00 H new ATOM 0 HA ALA A 81 2.015 1.917 -11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.211 3.630 -11.828 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.168 2.584 -10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.839 4.228 -10.274 1.00 0.00 H new ATOM 1197 N ALA A 82 3.416 4.874 -11.412 1.00 0.00 N ATOM 1198 CA ALA A 82 4.182 5.933 -12.067 1.00 0.00 C ATOM 1199 C ALA A 82 5.534 6.129 -11.391 1.00 0.00 C ATOM 1200 O ALA A 82 5.632 6.093 -10.160 1.00 0.00 O ATOM 1201 CB ALA A 82 3.393 7.235 -12.060 1.00 0.00 C ATOM 0 H ALA A 82 3.317 4.994 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 82 4.361 5.634 -13.100 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.975 8.015 -12.551 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.453 7.094 -12.593 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.186 7.529 -11.031 1.00 0.00 H new ATOM 1207 N LEU A 83 6.571 6.338 -12.209 1.00 0.00 N ATOM 1208 CA LEU A 83 7.934 6.543 -11.709 1.00 0.00 C ATOM 1209 C LEU A 83 8.560 7.792 -12.327 1.00 0.00 C ATOM 1210 CB LEU A 83 8.815 5.308 -11.983 1.00 0.00 C ATOM 1211 CG LEU A 83 8.756 4.729 -13.405 1.00 0.00 C ATOM 1212 CD1 LEU A 83 10.109 4.850 -14.089 1.00 0.00 C ATOM 1213 CD2 LEU A 83 8.302 3.277 -13.371 1.00 0.00 C ATOM 0 H LEU A 83 6.491 6.370 -13.225 1.00 0.00 H new ATOM 0 HA LEU A 83 7.874 6.687 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.850 5.571 -11.764 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.530 4.523 -11.282 1.00 0.00 H new ATOM 0 HG LEU A 83 8.029 5.303 -13.980 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.047 4.434 -15.095 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.395 5.900 -14.147 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.857 4.302 -13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.266 2.883 -14.387 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.004 2.690 -12.779 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.310 3.216 -12.923 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -22.463 -2.080 0.210 1.00 0.00 N ATOM 1227 CA ALA B 331 -21.672 -1.867 -1.028 1.00 0.00 C ATOM 1228 C ALA B 331 -22.357 -0.863 -1.948 1.00 0.00 C ATOM 1229 O ALA B 331 -23.558 -0.971 -2.211 1.00 0.00 O ATOM 1230 CB ALA B 331 -21.461 -3.189 -1.753 1.00 0.00 C ATOM 0 HA ALA B 331 -20.701 -1.460 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -20.880 -3.018 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -20.924 -3.879 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -22.428 -3.617 -2.018 1.00 0.00 H new ATOM 1235 N THR B 332 -21.579 0.111 -2.430 1.00 0.00 N ATOM 1236 CA THR B 332 -22.092 1.152 -3.327 1.00 0.00 C ATOM 1237 C THR B 332 -21.128 1.417 -4.483 1.00 0.00 C ATOM 1238 O THR B 332 -21.558 1.570 -5.630 1.00 0.00 O ATOM 1239 CB THR B 332 -22.353 2.477 -2.578 1.00 0.00 C ATOM 1240 OG1 THR B 332 -21.297 2.739 -1.646 1.00 0.00 O ATOM 1241 CG2 THR B 332 -23.685 2.431 -1.843 1.00 0.00 C ATOM 0 H THR B 332 -20.586 0.201 -2.213 1.00 0.00 H new ATOM 0 HA THR B 332 -23.036 0.778 -3.723 1.00 0.00 H new ATOM 0 HB THR B 332 -22.388 3.279 -3.315 1.00 0.00 H new ATOM 0 HG1 THR B 332 -21.474 3.582 -1.180 1.00 0.00 H new ATOM 0 HG21 THR B 332 -23.846 3.375 -1.323 1.00 0.00 H new ATOM 0 HG22 THR B 332 -24.490 2.269 -2.559 1.00 0.00 H new ATOM 0 HG23 THR B 332 -23.673 1.616 -1.119 1.00 0.00 H new ATOM 1249 N GLY B 333 -19.828 1.471 -4.166 1.00 0.00 N ATOM 1250 CA GLY B 333 -18.809 1.717 -5.176 1.00 0.00 C ATOM 1251 C GLY B 333 -17.565 0.876 -4.964 1.00 0.00 C ATOM 1252 O GLY B 333 -17.632 -0.199 -4.359 1.00 0.00 O ATOM 0 H GLY B 333 -19.465 1.347 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -19.222 1.507 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -18.537 2.772 -5.163 1.00 0.00 H new ATOM 1256 N GLY B 334 -16.429 1.373 -5.467 1.00 0.00 N ATOM 1257 CA GLY B 334 -15.164 0.666 -5.331 1.00 0.00 C ATOM 1258 C GLY B 334 -14.799 -0.118 -6.578 1.00 0.00 C ATOM 1259 O GLY B 334 -15.042 -1.326 -6.646 1.00 0.00 O ATOM 0 H GLY B 334 -16.366 2.259 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -14.373 1.383 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -15.222 -0.015 -4.482 1.00 0.00 H new ATOM 1263 N VAL B 335 -14.217 0.577 -7.562 1.00 0.00 N ATOM 1264 CA VAL B 335 -13.813 -0.048 -8.825 1.00 0.00 C ATOM 1265 C VAL B 335 -12.434 0.461 -9.297 1.00 0.00 C ATOM 1266 O VAL B 335 -11.664 -0.297 -9.892 1.00 0.00 O ATOM 1267 CB VAL B 335 -14.912 0.150 -9.928 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -15.000 1.597 -10.422 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -14.705 -0.809 -11.098 1.00 0.00 C ATOM 0 H VAL B 335 -14.015 1.575 -7.507 1.00 0.00 H new ATOM 0 HA VAL B 335 -13.713 -1.119 -8.647 1.00 0.00 H new ATOM 0 HB VAL B 335 -15.866 -0.084 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -15.776 1.675 -11.183 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -15.244 2.253 -9.586 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -14.042 1.895 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -15.483 -0.646 -11.844 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -13.728 -0.630 -11.547 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -14.756 -1.837 -10.739 1.00 0.00 H new HETATM 1279 N M3L B 336 -12.133 1.751 -9.018 1.00 0.00 N HETATM 1280 CA M3L B 336 -10.851 2.403 -9.409 1.00 0.00 C HETATM 1281 CB M3L B 336 -9.668 1.828 -8.596 1.00 0.00 C HETATM 1282 CG M3L B 336 -9.746 2.123 -7.105 1.00 0.00 C HETATM 1283 CD M3L B 336 -10.478 1.019 -6.368 1.00 0.00 C HETATM 1284 CE M3L B 336 -11.054 1.526 -5.035 1.00 0.00 C HETATM 1285 NZ M3L B 336 -10.964 0.545 -3.878 1.00 0.00 N HETATM 1286 C M3L B 336 -10.566 2.288 -10.922 1.00 0.00 C HETATM 1287 O M3L B 336 -11.402 1.791 -11.682 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.552 0.208 -3.542 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.740 -0.687 -4.203 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.546 1.161 -2.669 1.00 0.00 C HETATM 0 HM33 M3L B 336 -10.995 2.068 -2.421 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.591 1.411 -2.855 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.483 0.460 -1.837 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -12.784 -0.425 -4.374 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.330 -1.149 -5.101 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.674 -1.389 -3.372 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -9.069 -0.243 -4.409 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.018 1.116 -3.261 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.534 -0.496 -2.710 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -8.740 2.230 -6.699 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -10.257 3.072 -6.945 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.532 2.441 -4.756 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -12.101 1.790 -5.186 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -11.284 0.634 -6.992 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -9.796 0.189 -6.180 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -9.630 0.748 -8.742 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -8.737 2.236 -8.989 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.958 3.463 -9.179 1.00 0.00 H new ATOM 1310 N LYS B 337 -9.381 2.763 -11.344 1.00 0.00 N ATOM 1311 CA LYS B 337 -8.970 2.716 -12.753 1.00 0.00 C ATOM 1312 C LYS B 337 -7.494 2.237 -12.903 1.00 0.00 C ATOM 1313 O LYS B 337 -6.706 2.879 -13.609 1.00 0.00 O ATOM 1314 CB LYS B 337 -9.184 4.101 -13.427 1.00 0.00 C ATOM 1315 CG LYS B 337 -8.622 5.304 -12.649 1.00 0.00 C ATOM 1316 CD LYS B 337 -9.631 5.858 -11.640 1.00 0.00 C ATOM 1317 CE LYS B 337 -10.251 7.164 -12.119 1.00 0.00 C ATOM 1318 NZ LYS B 337 -9.410 8.337 -11.757 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.690 3.185 -10.724 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.598 1.986 -13.263 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -8.724 4.081 -14.415 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -10.253 4.253 -13.576 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -7.714 5.005 -12.126 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -8.342 6.090 -13.350 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -10.418 5.123 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -9.136 6.020 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.382 7.130 -13.201 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -11.243 7.278 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -10.022 9.127 -11.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -8.780 8.083 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -8.840 8.622 -12.579 1.00 0.00 H new ATOM 1332 N PRO B 338 -7.086 1.095 -12.249 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.707 0.567 -12.336 1.00 0.00 C ATOM 1334 C PRO B 338 -5.409 -0.157 -13.656 1.00 0.00 C ATOM 1335 O PRO B 338 -6.070 0.072 -14.673 1.00 0.00 O ATOM 1336 CB PRO B 338 -5.627 -0.441 -11.167 1.00 0.00 C ATOM 1337 CG PRO B 338 -6.860 -0.229 -10.371 1.00 0.00 C ATOM 1338 CD PRO B 338 -7.890 0.243 -11.351 1.00 0.00 C ATOM 0 HA PRO B 338 -4.981 1.378 -12.288 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -5.570 -1.465 -11.536 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -4.736 -0.270 -10.563 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.176 -1.151 -9.883 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -6.698 0.509 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.357 -0.585 -11.884 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -8.690 0.802 -10.866 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.396 -1.033 -13.602 1.00 0.00 N ATOM 1347 CA HIS B 339 -3.947 -1.841 -14.734 1.00 0.00 C ATOM 1348 C HIS B 339 -4.903 -3.035 -14.949 1.00 0.00 C ATOM 1349 O HIS B 339 -5.310 -3.312 -16.080 1.00 0.00 O ATOM 1350 CB HIS B 339 -2.485 -2.258 -14.445 1.00 0.00 C ATOM 1351 CG HIS B 339 -2.111 -3.677 -14.716 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -2.130 -4.244 -15.966 1.00 0.00 N ATOM 1353 CD2 HIS B 339 -1.669 -4.631 -13.870 1.00 0.00 C ATOM 1354 CE1 HIS B 339 -1.716 -5.493 -15.880 1.00 0.00 C ATOM 1355 NE2 HIS B 339 -1.428 -5.754 -14.618 1.00 0.00 N ATOM 0 H HIS B 339 -3.858 -1.200 -12.751 1.00 0.00 H new ATOM 0 HA HIS B 339 -3.968 -1.283 -15.670 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -1.829 -1.618 -15.035 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -2.276 -2.049 -13.396 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -1.531 -4.529 -12.804 1.00 0.00 H new ATOM 0 HE1 HIS B 339 -1.627 -6.186 -16.703 1.00 0.00 H new ATOM 0 HE2 HIS B 339 -1.083 -6.644 -14.259 1.00 0.00 H new ATOM 1364 N ARG B 340 -5.254 -3.717 -13.835 1.00 0.00 N ATOM 1365 CA ARG B 340 -6.189 -4.873 -13.808 1.00 0.00 C ATOM 1366 C ARG B 340 -5.890 -5.954 -14.862 1.00 0.00 C ATOM 1367 O ARG B 340 -6.046 -5.728 -16.067 1.00 0.00 O ATOM 1368 CB ARG B 340 -7.644 -4.396 -13.950 1.00 0.00 C ATOM 1369 CG ARG B 340 -8.598 -5.040 -12.957 1.00 0.00 C ATOM 1370 CD ARG B 340 -10.043 -4.915 -13.415 1.00 0.00 C ATOM 1371 NE ARG B 340 -10.483 -6.094 -14.172 1.00 0.00 N ATOM 1372 CZ ARG B 340 -11.745 -6.327 -14.558 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -12.724 -5.471 -14.268 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -12.027 -7.428 -15.241 1.00 0.00 N ATOM 0 H ARG B 340 -4.891 -3.478 -12.912 1.00 0.00 H new ATOM 0 HA ARG B 340 -6.039 -5.344 -12.836 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -7.676 -3.314 -13.822 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -7.989 -4.608 -14.962 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -8.343 -6.093 -12.835 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -8.482 -4.569 -11.981 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -10.688 -4.780 -12.547 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -10.151 -4.025 -14.035 1.00 0.00 H new ATOM 0 HE ARG B 340 -9.777 -6.786 -14.422 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -12.519 -4.621 -13.743 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -13.678 -5.666 -14.571 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -11.286 -8.091 -15.469 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -12.985 -7.612 -15.538 1.00 0.00 H new ATOM 1388 N TYR B 341 -5.461 -7.130 -14.382 1.00 0.00 N ATOM 1389 CA TYR B 341 -5.160 -8.279 -15.248 1.00 0.00 C ATOM 1390 C TYR B 341 -5.336 -9.589 -14.489 1.00 0.00 C ATOM 1391 CB TYR B 341 -3.736 -8.199 -15.812 1.00 0.00 C ATOM 1392 CG TYR B 341 -3.688 -8.183 -17.325 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -3.782 -6.989 -18.032 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -3.551 -9.362 -18.047 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -3.741 -6.971 -19.413 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -3.509 -9.352 -19.428 1.00 0.00 C ATOM 1397 CZ TYR B 341 -3.604 -8.155 -20.106 1.00 0.00 C ATOM 1398 OH TYR B 341 -3.562 -8.142 -21.483 1.00 0.00 O ATOM 0 H TYR B 341 -5.314 -7.311 -13.389 1.00 0.00 H new ATOM 0 HA TYR B 341 -5.863 -8.249 -16.080 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -3.252 -7.299 -15.431 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -3.160 -9.049 -15.447 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -3.889 -6.060 -17.492 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -3.476 -10.302 -17.520 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -3.816 -6.035 -19.946 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -3.402 -10.278 -19.974 1.00 0.00 H new ATOM 0 HH TYR B 341 -3.461 -9.058 -21.816 1.00 0.00 H new TER 1408 TYR B 341