USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 65 MET CE :methyl 166:sc= -0.128 (180deg=-0.637) USER MOD Set 1.2: A 89 SER OG : rot 121:sc= 1.42 USER MOD Set 1.3: A 93 HIS : no HE2:sc= -1.33 K(o=-0.041,f=-2.8!) USER MOD Set 2.1: A 23 LYS NZ :NH3+ -157:sc= 1.01 (180deg=0.934) USER MOD Set 2.2: A 50 HIS : no HD1:sc= -1.02 X(o=-0.0098,f=0.0065) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0939 (180deg=0) USER MOD Single : A 3 MET CE :methyl 159:sc= -0.0926 (180deg=-0.574) USER MOD Single : A 11 SER OG : rot 180:sc= -0.286 USER MOD Single : A 17 GLN : amide:sc= -0.965 K(o=-0.97,f=0) USER MOD Single : A 20 SER OG : rot -120:sc= -0.125 USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= 0.95 (180deg=0.463) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.11) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.864 USER MOD Single : A 36 ASN : amide:sc= -0.0248 K(o=-0.025,f=-0.93) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc=-0.00414 (180deg=-0.097) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 2.44 (180deg=1.8) USER MOD Single : A 51 GLN : amide:sc= 0.0668 X(o=0.067,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00658 (180deg=-0.146) USER MOD Single : A 61 SER OG : rot 10:sc= -1.32 USER MOD Single : A 68 SER OG : rot -139:sc= 1.18 USER MOD Single : A 69 SER OG : rot 107:sc= 1.29 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.935 K(o=-0.93,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 170:sc= 0.823 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0332 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.303 -5.839 16.270 1.00 6.55 N ATOM 2 CA GLY A 1 13.588 -5.384 14.890 1.00 6.13 C ATOM 3 C GLY A 1 14.024 -6.527 14.000 1.00 5.56 C ATOM 4 O GLY A 1 13.955 -7.685 14.409 1.00 5.62 O ATOM 0 H1 GLY A 1 12.334 -5.568 16.532 1.00 6.55 H new ATOM 0 H2 GLY A 1 13.399 -6.873 16.321 1.00 6.55 H new ATOM 0 H3 GLY A 1 13.976 -5.396 16.928 1.00 6.55 H new ATOM 0 HA2 GLY A 1 12.697 -4.916 14.470 1.00 6.13 H new ATOM 0 HA3 GLY A 1 14.368 -4.623 14.912 1.00 6.13 H new ATOM 10 N ALA A 2 14.445 -6.194 12.780 1.00 5.41 N ATOM 11 CA ALA A 2 14.936 -7.173 11.805 1.00 5.31 C ATOM 12 C ALA A 2 13.805 -8.039 11.251 1.00 4.43 C ATOM 13 O ALA A 2 14.045 -8.993 10.510 1.00 4.77 O ATOM 14 CB ALA A 2 16.046 -8.037 12.394 1.00 6.37 C ATOM 0 H ALA A 2 14.456 -5.234 12.437 1.00 5.41 H new ATOM 0 HA ALA A 2 15.356 -6.610 10.972 1.00 5.31 H new ATOM 0 HB1 ALA A 2 16.387 -8.752 11.645 1.00 6.37 H new ATOM 0 HB2 ALA A 2 16.879 -7.403 12.696 1.00 6.37 H new ATOM 0 HB3 ALA A 2 15.666 -8.575 13.262 1.00 6.37 H new ATOM 20 N MET A 3 12.573 -7.688 11.597 1.00 3.71 N ATOM 21 CA MET A 3 11.400 -8.386 11.087 1.00 3.29 C ATOM 22 C MET A 3 10.308 -7.365 10.783 1.00 2.27 C ATOM 23 O MET A 3 9.118 -7.672 10.764 1.00 2.62 O ATOM 24 CB MET A 3 10.903 -9.424 12.106 1.00 3.97 C ATOM 25 CG MET A 3 9.875 -10.408 11.552 1.00 4.59 C ATOM 26 SD MET A 3 9.204 -11.507 12.815 1.00 5.49 S ATOM 27 CE MET A 3 8.289 -10.341 13.823 1.00 6.18 C ATOM 0 H MET A 3 12.360 -6.919 12.233 1.00 3.71 H new ATOM 0 HA MET A 3 11.663 -8.918 10.173 1.00 3.29 H new ATOM 0 HB2 MET A 3 11.759 -9.985 12.483 1.00 3.97 H new ATOM 0 HB3 MET A 3 10.466 -8.900 12.956 1.00 3.97 H new ATOM 0 HG2 MET A 3 9.059 -9.852 11.091 1.00 4.59 H new ATOM 0 HG3 MET A 3 10.338 -11.005 10.766 1.00 4.59 H new ATOM 0 HE1 MET A 3 7.534 -10.874 14.401 1.00 6.18 H new ATOM 0 HE2 MET A 3 8.973 -9.831 14.502 1.00 6.18 H new ATOM 0 HE3 MET A 3 7.803 -9.608 13.180 1.00 6.18 H new ATOM 37 N GLU A 4 10.738 -6.136 10.535 1.00 1.66 N ATOM 38 CA GLU A 4 9.819 -5.038 10.266 1.00 1.27 C ATOM 39 C GLU A 4 9.669 -4.846 8.767 1.00 1.17 C ATOM 40 O GLU A 4 8.974 -3.942 8.306 1.00 1.64 O ATOM 41 CB GLU A 4 10.312 -3.736 10.917 1.00 2.01 C ATOM 42 CG GLU A 4 11.631 -3.207 10.365 1.00 2.51 C ATOM 43 CD GLU A 4 12.826 -4.052 10.755 1.00 3.17 C ATOM 44 OE1 GLU A 4 13.446 -3.772 11.801 1.00 3.76 O ATOM 45 OE2 GLU A 4 13.157 -4.999 10.011 1.00 3.52 O ATOM 0 H GLU A 4 11.723 -5.873 10.514 1.00 1.66 H new ATOM 0 HA GLU A 4 8.849 -5.288 10.697 1.00 1.27 H new ATOM 0 HB2 GLU A 4 9.547 -2.970 10.790 1.00 2.01 H new ATOM 0 HB3 GLU A 4 10.422 -3.901 11.989 1.00 2.01 H new ATOM 0 HG2 GLU A 4 11.568 -3.158 9.278 1.00 2.51 H new ATOM 0 HG3 GLU A 4 11.783 -2.188 10.721 1.00 2.51 H new ATOM 52 N ARG A 5 10.341 -5.701 8.017 1.00 0.96 N ATOM 53 CA ARG A 5 10.317 -5.641 6.570 1.00 0.91 C ATOM 54 C ARG A 5 9.811 -6.958 6.007 1.00 0.81 C ATOM 55 O ARG A 5 10.424 -8.002 6.228 1.00 0.84 O ATOM 56 CB ARG A 5 11.723 -5.377 6.028 1.00 0.98 C ATOM 57 CG ARG A 5 12.393 -4.147 6.613 1.00 1.45 C ATOM 58 CD ARG A 5 13.795 -3.966 6.055 1.00 1.50 C ATOM 59 NE ARG A 5 14.639 -5.133 6.307 1.00 2.16 N ATOM 60 CZ ARG A 5 15.818 -5.341 5.721 1.00 2.56 C ATOM 61 NH1 ARG A 5 16.276 -4.480 4.822 1.00 2.34 N ATOM 62 NH2 ARG A 5 16.532 -6.417 6.028 1.00 3.55 N ATOM 0 H ARG A 5 10.917 -6.454 8.394 1.00 0.96 H new ATOM 0 HA ARG A 5 9.653 -4.831 6.268 1.00 0.91 H new ATOM 0 HB2 ARG A 5 12.347 -6.248 6.229 1.00 0.98 H new ATOM 0 HB3 ARG A 5 11.668 -5.267 4.945 1.00 0.98 H new ATOM 0 HG2 ARG A 5 11.794 -3.264 6.392 1.00 1.45 H new ATOM 0 HG3 ARG A 5 12.440 -4.237 7.698 1.00 1.45 H new ATOM 0 HD2 ARG A 5 13.738 -3.785 4.982 1.00 1.50 H new ATOM 0 HD3 ARG A 5 14.253 -3.084 6.503 1.00 1.50 H new ATOM 0 HE ARG A 5 14.305 -5.831 6.972 1.00 2.16 H new ATOM 0 HH11 ARG A 5 15.726 -3.657 4.578 1.00 2.34 H new ATOM 0 HH12 ARG A 5 17.179 -4.641 4.375 1.00 2.34 H new ATOM 0 HH21 ARG A 5 16.179 -7.085 6.713 1.00 3.55 H new ATOM 0 HH22 ARG A 5 17.434 -6.576 5.579 1.00 3.55 H new ATOM 76 N GLU A 6 8.687 -6.916 5.308 1.00 0.77 N ATOM 77 CA GLU A 6 8.198 -8.088 4.599 1.00 0.72 C ATOM 78 C GLU A 6 9.149 -8.384 3.441 1.00 0.62 C ATOM 79 O GLU A 6 9.941 -7.523 3.054 1.00 0.73 O ATOM 80 CB GLU A 6 6.768 -7.851 4.094 1.00 0.85 C ATOM 81 CG GLU A 6 6.017 -9.128 3.752 1.00 1.17 C ATOM 82 CD GLU A 6 4.600 -8.866 3.284 1.00 1.78 C ATOM 83 OE1 GLU A 6 3.749 -8.482 4.115 1.00 2.22 O ATOM 84 OE2 GLU A 6 4.328 -9.052 2.084 1.00 2.46 O ATOM 0 H GLU A 6 8.099 -6.088 5.217 1.00 0.77 H new ATOM 0 HA GLU A 6 8.168 -8.946 5.270 1.00 0.72 H new ATOM 0 HB2 GLU A 6 6.210 -7.305 4.855 1.00 0.85 H new ATOM 0 HB3 GLU A 6 6.806 -7.215 3.209 1.00 0.85 H new ATOM 0 HG2 GLU A 6 6.559 -9.666 2.974 1.00 1.17 H new ATOM 0 HG3 GLU A 6 5.992 -9.776 4.628 1.00 1.17 H new ATOM 91 N ASP A 7 9.101 -9.587 2.896 1.00 0.54 N ATOM 92 CA ASP A 7 10.052 -9.976 1.858 1.00 0.53 C ATOM 93 C ASP A 7 9.370 -10.200 0.520 1.00 0.46 C ATOM 94 O ASP A 7 9.723 -11.116 -0.224 1.00 0.55 O ATOM 95 CB ASP A 7 10.827 -11.225 2.272 1.00 0.71 C ATOM 96 CG ASP A 7 11.782 -10.954 3.415 1.00 1.68 C ATOM 97 OD1 ASP A 7 11.453 -11.294 4.569 1.00 2.36 O ATOM 98 OD2 ASP A 7 12.867 -10.387 3.165 1.00 2.34 O ATOM 0 H ASP A 7 8.424 -10.307 3.148 1.00 0.54 H new ATOM 0 HA ASP A 7 10.753 -9.150 1.739 1.00 0.53 H new ATOM 0 HB2 ASP A 7 10.125 -12.005 2.565 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.386 -11.604 1.416 1.00 0.71 H new ATOM 103 N GLU A 8 8.404 -9.356 0.213 1.00 0.37 N ATOM 104 CA GLU A 8 7.712 -9.412 -1.061 1.00 0.34 C ATOM 105 C GLU A 8 7.094 -8.054 -1.364 1.00 0.28 C ATOM 106 O GLU A 8 6.645 -7.359 -0.455 1.00 0.29 O ATOM 107 CB GLU A 8 6.635 -10.496 -1.023 1.00 0.42 C ATOM 108 CG GLU A 8 5.978 -10.757 -2.368 1.00 0.46 C ATOM 109 CD GLU A 8 4.947 -11.862 -2.303 1.00 0.60 C ATOM 110 OE1 GLU A 8 5.340 -13.045 -2.235 1.00 0.71 O ATOM 111 OE2 GLU A 8 3.739 -11.556 -2.327 1.00 0.69 O ATOM 0 H GLU A 8 8.078 -8.616 0.835 1.00 0.37 H new ATOM 0 HA GLU A 8 8.422 -9.660 -1.850 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.079 -11.423 -0.660 1.00 0.42 H new ATOM 0 HB3 GLU A 8 5.868 -10.207 -0.305 1.00 0.42 H new ATOM 0 HG2 GLU A 8 5.503 -9.841 -2.721 1.00 0.46 H new ATOM 0 HG3 GLU A 8 6.743 -11.021 -3.098 1.00 0.46 H new ATOM 118 N CYS A 9 7.046 -7.687 -2.635 1.00 0.27 N ATOM 119 CA CYS A 9 6.525 -6.391 -3.024 1.00 0.25 C ATOM 120 C CYS A 9 5.015 -6.451 -3.111 1.00 0.32 C ATOM 121 O CYS A 9 4.464 -7.212 -3.901 1.00 0.38 O ATOM 122 CB CYS A 9 7.078 -5.975 -4.381 1.00 0.26 C ATOM 123 SG CYS A 9 6.401 -4.424 -5.012 1.00 0.30 S ATOM 0 H CYS A 9 7.361 -8.269 -3.411 1.00 0.27 H new ATOM 0 HA CYS A 9 6.829 -5.662 -2.273 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.161 -5.882 -4.306 1.00 0.26 H new ATOM 0 HB3 CYS A 9 6.875 -6.767 -5.102 1.00 0.26 H new ATOM 128 N PHE A 10 4.356 -5.635 -2.311 1.00 0.33 N ATOM 129 CA PHE A 10 2.903 -5.640 -2.240 1.00 0.41 C ATOM 130 C PHE A 10 2.290 -5.071 -3.521 1.00 0.48 C ATOM 131 O PHE A 10 1.129 -5.329 -3.837 1.00 0.57 O ATOM 132 CB PHE A 10 2.451 -4.848 -1.006 1.00 0.41 C ATOM 133 CG PHE A 10 0.973 -4.888 -0.750 1.00 0.46 C ATOM 134 CD1 PHE A 10 0.215 -3.733 -0.834 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.342 -6.079 -0.420 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.142 -3.763 -0.591 1.00 0.56 C ATOM 137 CE2 PHE A 10 -1.014 -6.114 -0.179 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.757 -4.954 -0.264 1.00 0.59 C ATOM 0 H PHE A 10 4.805 -4.955 -1.697 1.00 0.33 H new ATOM 0 HA PHE A 10 2.553 -6.668 -2.146 1.00 0.41 H new ATOM 0 HB2 PHE A 10 2.970 -5.237 -0.130 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.759 -3.809 -1.124 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.691 -2.799 -1.092 1.00 0.50 H new ATOM 0 HD2 PHE A 10 0.920 -6.989 -0.351 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -1.723 -2.855 -0.657 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -1.495 -7.047 0.076 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.820 -4.979 -0.075 1.00 0.59 H new ATOM 148 N SER A 11 3.081 -4.307 -4.261 1.00 0.46 N ATOM 149 CA SER A 11 2.628 -3.737 -5.521 1.00 0.54 C ATOM 150 C SER A 11 2.645 -4.778 -6.641 1.00 0.57 C ATOM 151 O SER A 11 1.740 -4.824 -7.473 1.00 0.69 O ATOM 152 CB SER A 11 3.510 -2.548 -5.905 1.00 0.54 C ATOM 153 OG SER A 11 3.633 -1.637 -4.828 1.00 0.96 O ATOM 0 H SER A 11 4.040 -4.068 -4.010 1.00 0.46 H new ATOM 0 HA SER A 11 1.600 -3.400 -5.387 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.497 -2.904 -6.199 1.00 0.54 H new ATOM 0 HB3 SER A 11 3.084 -2.039 -6.769 1.00 0.54 H new ATOM 0 HG SER A 11 4.203 -0.887 -5.098 1.00 0.96 H new ATOM 159 N CYS A 12 3.670 -5.625 -6.652 1.00 0.48 N ATOM 160 CA CYS A 12 3.881 -6.535 -7.776 1.00 0.53 C ATOM 161 C CYS A 12 3.526 -7.979 -7.433 1.00 0.55 C ATOM 162 O CYS A 12 3.152 -8.758 -8.308 1.00 0.62 O ATOM 163 CB CYS A 12 5.338 -6.475 -8.235 1.00 0.51 C ATOM 164 SG CYS A 12 5.902 -4.826 -8.699 1.00 0.49 S ATOM 0 H CYS A 12 4.361 -5.701 -5.905 1.00 0.48 H new ATOM 0 HA CYS A 12 3.217 -6.207 -8.576 1.00 0.53 H new ATOM 0 HB2 CYS A 12 5.975 -6.852 -7.435 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.466 -7.143 -9.086 1.00 0.51 H new ATOM 169 N GLY A 13 3.641 -8.333 -6.160 1.00 0.51 N ATOM 170 CA GLY A 13 3.474 -9.717 -5.758 1.00 0.55 C ATOM 171 C GLY A 13 4.747 -10.506 -5.990 1.00 0.54 C ATOM 172 O GLY A 13 4.760 -11.735 -5.914 1.00 0.61 O ATOM 0 H GLY A 13 3.847 -7.687 -5.398 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.200 -9.763 -4.704 1.00 0.55 H new ATOM 0 HA3 GLY A 13 2.655 -10.167 -6.320 1.00 0.55 H new ATOM 176 N ASP A 14 5.821 -9.785 -6.278 1.00 0.49 N ATOM 177 CA ASP A 14 7.113 -10.393 -6.567 1.00 0.49 C ATOM 178 C ASP A 14 8.153 -9.928 -5.566 1.00 0.38 C ATOM 179 O ASP A 14 7.978 -8.899 -4.914 1.00 0.32 O ATOM 180 CB ASP A 14 7.560 -10.039 -7.989 1.00 0.55 C ATOM 181 CG ASP A 14 6.858 -10.869 -9.043 1.00 0.72 C ATOM 182 OD1 ASP A 14 5.788 -10.443 -9.528 1.00 0.81 O ATOM 183 OD2 ASP A 14 7.370 -11.953 -9.394 1.00 0.85 O ATOM 0 H ASP A 14 5.822 -8.766 -6.318 1.00 0.49 H new ATOM 0 HA ASP A 14 7.010 -11.475 -6.488 1.00 0.49 H new ATOM 0 HB2 ASP A 14 7.366 -8.983 -8.175 1.00 0.55 H new ATOM 0 HB3 ASP A 14 8.637 -10.185 -8.074 1.00 0.55 H new ATOM 188 N ALA A 15 9.227 -10.686 -5.440 1.00 0.41 N ATOM 189 CA ALA A 15 10.292 -10.358 -4.511 1.00 0.36 C ATOM 190 C ALA A 15 11.579 -10.042 -5.262 1.00 0.40 C ATOM 191 O ALA A 15 11.762 -10.475 -6.399 1.00 0.47 O ATOM 192 CB ALA A 15 10.512 -11.497 -3.534 1.00 0.42 C ATOM 0 H ALA A 15 9.385 -11.540 -5.975 1.00 0.41 H new ATOM 0 HA ALA A 15 9.998 -9.472 -3.948 1.00 0.36 H new ATOM 0 HB1 ALA A 15 11.314 -11.235 -2.844 1.00 0.42 H new ATOM 0 HB2 ALA A 15 9.595 -11.677 -2.973 1.00 0.42 H new ATOM 0 HB3 ALA A 15 10.785 -12.399 -4.082 1.00 0.42 H new ATOM 198 N GLY A 16 12.461 -9.293 -4.623 1.00 0.40 N ATOM 199 CA GLY A 16 13.688 -8.875 -5.266 1.00 0.48 C ATOM 200 C GLY A 16 14.313 -7.690 -4.560 1.00 0.49 C ATOM 201 O GLY A 16 14.480 -7.713 -3.342 1.00 1.04 O ATOM 0 H GLY A 16 12.349 -8.965 -3.664 1.00 0.40 H new ATOM 0 HA2 GLY A 16 14.394 -9.705 -5.278 1.00 0.48 H new ATOM 0 HA3 GLY A 16 13.484 -8.614 -6.305 1.00 0.48 H new ATOM 205 N GLN A 17 14.640 -6.651 -5.317 1.00 0.52 N ATOM 206 CA GLN A 17 15.228 -5.439 -4.757 1.00 0.49 C ATOM 207 C GLN A 17 14.149 -4.597 -4.082 1.00 0.39 C ATOM 208 O GLN A 17 13.467 -3.802 -4.731 1.00 0.41 O ATOM 209 CB GLN A 17 15.917 -4.638 -5.863 1.00 0.61 C ATOM 210 CG GLN A 17 16.600 -3.372 -5.377 1.00 0.67 C ATOM 211 CD GLN A 17 17.302 -2.620 -6.491 1.00 0.93 C ATOM 212 OE1 GLN A 17 18.299 -1.941 -6.261 1.00 1.56 O ATOM 213 NE2 GLN A 17 16.786 -2.735 -7.707 1.00 1.52 N ATOM 0 H GLN A 17 14.507 -6.623 -6.328 1.00 0.52 H new ATOM 0 HA GLN A 17 15.971 -5.715 -4.008 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.657 -5.273 -6.350 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.178 -4.372 -6.619 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.859 -2.719 -4.914 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.325 -3.629 -4.605 1.00 0.67 H new ATOM 0 HE21 GLN A 17 15.956 -3.309 -7.857 1.00 1.52 H new ATOM 0 HE22 GLN A 17 17.219 -2.249 -8.493 1.00 1.52 H new ATOM 222 N LEU A 18 13.996 -4.776 -2.778 1.00 0.34 N ATOM 223 CA LEU A 18 12.906 -4.145 -2.051 1.00 0.27 C ATOM 224 C LEU A 18 13.391 -3.004 -1.158 1.00 0.31 C ATOM 225 O LEU A 18 14.480 -3.060 -0.580 1.00 0.42 O ATOM 226 CB LEU A 18 12.177 -5.190 -1.206 1.00 0.24 C ATOM 227 CG LEU A 18 11.580 -6.352 -1.996 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.218 -7.501 -1.073 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.358 -5.893 -2.771 1.00 0.17 C ATOM 0 H LEU A 18 14.612 -5.352 -2.203 1.00 0.34 H new ATOM 0 HA LEU A 18 12.225 -3.717 -2.787 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.873 -5.590 -0.469 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.377 -4.696 -0.654 1.00 0.24 H new ATOM 0 HG LEU A 18 12.330 -6.704 -2.704 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.794 -8.318 -1.658 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.113 -7.850 -0.558 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.486 -7.162 -0.340 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.944 -6.733 -3.329 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.608 -5.514 -2.077 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.643 -5.102 -3.465 1.00 0.17 H new ATOM 241 N VAL A 19 12.571 -1.972 -1.066 1.00 0.29 N ATOM 242 CA VAL A 19 12.791 -0.860 -0.156 1.00 0.32 C ATOM 243 C VAL A 19 11.598 -0.762 0.792 1.00 0.30 C ATOM 244 O VAL A 19 10.443 -0.789 0.360 1.00 0.27 O ATOM 245 CB VAL A 19 13.000 0.477 -0.915 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.843 0.772 -1.862 1.00 0.34 C ATOM 247 CG2 VAL A 19 13.199 1.629 0.061 1.00 0.42 C ATOM 0 H VAL A 19 11.724 -1.881 -1.627 1.00 0.29 H new ATOM 0 HA VAL A 19 13.704 -1.044 0.410 1.00 0.32 H new ATOM 0 HB VAL A 19 13.903 0.373 -1.517 1.00 0.36 H new ATOM 0 HG11 VAL A 19 12.025 1.716 -2.376 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.760 -0.030 -2.595 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.916 0.841 -1.293 1.00 0.34 H new ATOM 0 HG21 VAL A 19 13.344 2.556 -0.494 1.00 0.42 H new ATOM 0 HG22 VAL A 19 12.320 1.722 0.699 1.00 0.42 H new ATOM 0 HG23 VAL A 19 14.076 1.435 0.678 1.00 0.42 H new ATOM 257 N SER A 20 11.870 -0.693 2.085 1.00 0.34 N ATOM 258 CA SER A 20 10.812 -0.773 3.079 1.00 0.33 C ATOM 259 C SER A 20 10.405 0.608 3.580 1.00 0.33 C ATOM 260 O SER A 20 11.166 1.577 3.485 1.00 0.35 O ATOM 261 CB SER A 20 11.253 -1.659 4.247 1.00 0.39 C ATOM 262 OG SER A 20 10.188 -1.885 5.161 1.00 0.47 O ATOM 0 H SER A 20 12.808 -0.582 2.469 1.00 0.34 H new ATOM 0 HA SER A 20 9.939 -1.219 2.603 1.00 0.33 H new ATOM 0 HB2 SER A 20 11.614 -2.614 3.865 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.087 -1.188 4.768 1.00 0.39 H new ATOM 0 HG SER A 20 10.439 -1.546 6.046 1.00 0.47 H new ATOM 268 N CYS A 21 9.190 0.672 4.107 1.00 0.33 N ATOM 269 CA CYS A 21 8.630 1.899 4.649 1.00 0.35 C ATOM 270 C CYS A 21 9.399 2.318 5.894 1.00 0.40 C ATOM 271 O CYS A 21 9.781 1.478 6.705 1.00 0.43 O ATOM 272 CB CYS A 21 7.161 1.669 4.998 1.00 0.37 C ATOM 273 SG CYS A 21 6.230 3.165 5.383 1.00 0.34 S ATOM 0 H CYS A 21 8.563 -0.130 4.170 1.00 0.33 H new ATOM 0 HA CYS A 21 8.709 2.693 3.906 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.679 1.163 4.162 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.107 0.995 5.853 1.00 0.37 H new ATOM 278 N LYS A 22 9.611 3.617 6.054 1.00 0.52 N ATOM 279 CA LYS A 22 10.364 4.121 7.191 1.00 0.61 C ATOM 280 C LYS A 22 9.419 4.528 8.314 1.00 0.63 C ATOM 281 O LYS A 22 9.648 5.514 9.014 1.00 0.78 O ATOM 282 CB LYS A 22 11.235 5.304 6.766 1.00 0.74 C ATOM 283 CG LYS A 22 12.216 4.971 5.650 1.00 1.35 C ATOM 284 CD LYS A 22 13.171 3.858 6.055 1.00 1.65 C ATOM 285 CE LYS A 22 14.182 3.557 4.959 1.00 2.25 C ATOM 286 NZ LYS A 22 13.530 3.112 3.698 1.00 2.79 N ATOM 0 H LYS A 22 9.274 4.336 5.414 1.00 0.52 H new ATOM 0 HA LYS A 22 11.014 3.328 7.560 1.00 0.61 H new ATOM 0 HB2 LYS A 22 10.590 6.120 6.440 1.00 0.74 H new ATOM 0 HB3 LYS A 22 11.791 5.664 7.632 1.00 0.74 H new ATOM 0 HG2 LYS A 22 11.665 4.672 4.758 1.00 1.35 H new ATOM 0 HG3 LYS A 22 12.786 5.862 5.388 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.697 4.143 6.966 1.00 1.65 H new ATOM 0 HD3 LYS A 22 12.603 2.956 6.284 1.00 1.65 H new ATOM 0 HE2 LYS A 22 14.778 4.448 4.763 1.00 2.25 H new ATOM 0 HE3 LYS A 22 14.869 2.784 5.303 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 14.191 2.519 3.156 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 12.677 2.562 3.924 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 13.266 3.943 3.132 1.00 2.79 H new ATOM 300 N LYS A 23 8.329 3.789 8.447 1.00 0.60 N ATOM 301 CA LYS A 23 7.393 3.996 9.538 1.00 0.66 C ATOM 302 C LYS A 23 7.304 2.741 10.399 1.00 0.65 C ATOM 303 O LYS A 23 6.930 1.675 9.904 1.00 0.61 O ATOM 304 CB LYS A 23 6.003 4.360 9.009 1.00 0.75 C ATOM 305 CG LYS A 23 4.993 4.627 10.118 1.00 1.23 C ATOM 306 CD LYS A 23 3.650 5.079 9.568 1.00 1.50 C ATOM 307 CE LYS A 23 3.780 6.370 8.776 1.00 1.95 C ATOM 308 NZ LYS A 23 2.472 6.851 8.260 1.00 2.27 N ATOM 0 H LYS A 23 8.071 3.037 7.808 1.00 0.60 H new ATOM 0 HA LYS A 23 7.759 4.825 10.144 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.082 5.244 8.377 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.637 3.549 8.379 1.00 0.75 H new ATOM 0 HG2 LYS A 23 4.856 3.722 10.710 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.385 5.391 10.790 1.00 1.23 H new ATOM 0 HD2 LYS A 23 3.236 4.299 8.929 1.00 1.50 H new ATOM 0 HD3 LYS A 23 2.949 5.224 10.390 1.00 1.50 H new ATOM 0 HE2 LYS A 23 4.223 7.139 9.409 1.00 1.95 H new ATOM 0 HE3 LYS A 23 4.462 6.214 7.940 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 2.629 7.470 7.439 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 1.891 6.037 7.974 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 1.979 7.383 9.005 1.00 2.27 H new ATOM 322 N PRO A 24 7.653 2.844 11.691 1.00 0.77 N ATOM 323 CA PRO A 24 7.506 1.732 12.633 1.00 0.83 C ATOM 324 C PRO A 24 6.069 1.219 12.665 1.00 0.80 C ATOM 325 O PRO A 24 5.122 2.002 12.780 1.00 0.86 O ATOM 326 CB PRO A 24 7.882 2.347 13.984 1.00 1.01 C ATOM 327 CG PRO A 24 8.743 3.511 13.645 1.00 1.18 C ATOM 328 CD PRO A 24 8.224 4.040 12.334 1.00 0.93 C ATOM 0 HA PRO A 24 8.124 0.876 12.363 1.00 0.83 H new ATOM 0 HB2 PRO A 24 6.996 2.658 14.537 1.00 1.01 H new ATOM 0 HB3 PRO A 24 8.414 1.631 14.610 1.00 1.01 H new ATOM 0 HG2 PRO A 24 8.692 4.274 14.422 1.00 1.18 H new ATOM 0 HG3 PRO A 24 9.788 3.212 13.560 1.00 1.18 H new ATOM 0 HD2 PRO A 24 7.472 4.815 12.482 1.00 0.93 H new ATOM 0 HD3 PRO A 24 9.021 4.479 11.733 1.00 0.93 H new ATOM 336 N GLY A 25 5.908 -0.091 12.551 1.00 0.76 N ATOM 337 CA GLY A 25 4.580 -0.670 12.529 1.00 0.75 C ATOM 338 C GLY A 25 4.136 -1.037 11.128 1.00 0.65 C ATOM 339 O GLY A 25 3.308 -1.928 10.949 1.00 0.83 O ATOM 0 H GLY A 25 6.672 -0.763 12.473 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.564 -1.560 13.158 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.871 0.037 12.959 1.00 0.75 H new ATOM 343 N CYS A 26 4.688 -0.354 10.132 1.00 0.48 N ATOM 344 CA CYS A 26 4.369 -0.629 8.739 1.00 0.39 C ATOM 345 C CYS A 26 5.407 -1.591 8.170 1.00 0.34 C ATOM 346 O CYS A 26 6.536 -1.192 7.879 1.00 0.40 O ATOM 347 CB CYS A 26 4.369 0.683 7.949 1.00 0.44 C ATOM 348 SG CYS A 26 3.695 0.583 6.272 1.00 0.35 S ATOM 0 H CYS A 26 5.363 0.399 10.266 1.00 0.48 H new ATOM 0 HA CYS A 26 3.382 -1.084 8.664 1.00 0.39 H new ATOM 0 HB2 CYS A 26 3.797 1.423 8.508 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.393 1.051 7.889 1.00 0.44 H new ATOM 353 N PRO A 27 5.041 -2.870 8.005 1.00 0.37 N ATOM 354 CA PRO A 27 5.974 -3.911 7.585 1.00 0.45 C ATOM 355 C PRO A 27 6.020 -4.105 6.073 1.00 0.45 C ATOM 356 O PRO A 27 6.708 -4.996 5.574 1.00 0.66 O ATOM 357 CB PRO A 27 5.378 -5.147 8.257 1.00 0.57 C ATOM 358 CG PRO A 27 3.900 -4.920 8.200 1.00 0.57 C ATOM 359 CD PRO A 27 3.691 -3.421 8.243 1.00 0.44 C ATOM 0 HA PRO A 27 7.004 -3.681 7.857 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.661 -6.060 7.734 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.726 -5.248 9.285 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.478 -5.344 7.289 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.401 -5.405 9.039 1.00 0.57 H new ATOM 0 HD2 PRO A 27 2.985 -3.093 7.480 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.292 -3.100 9.205 1.00 0.44 H new ATOM 367 N LYS A 28 5.302 -3.266 5.342 1.00 0.30 N ATOM 368 CA LYS A 28 5.151 -3.464 3.908 1.00 0.30 C ATOM 369 C LYS A 28 6.372 -2.965 3.144 1.00 0.27 C ATOM 370 O LYS A 28 7.015 -1.985 3.536 1.00 0.31 O ATOM 371 CB LYS A 28 3.868 -2.793 3.402 1.00 0.32 C ATOM 372 CG LYS A 28 2.862 -3.775 2.812 1.00 0.42 C ATOM 373 CD LYS A 28 2.568 -4.925 3.770 1.00 0.52 C ATOM 374 CE LYS A 28 1.515 -5.864 3.210 1.00 0.70 C ATOM 375 NZ LYS A 28 1.411 -7.114 4.010 1.00 1.00 N ATOM 0 H LYS A 28 4.818 -2.448 5.714 1.00 0.30 H new ATOM 0 HA LYS A 28 5.070 -4.535 3.725 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.399 -2.255 4.226 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.128 -2.053 2.645 1.00 0.32 H new ATOM 0 HG2 LYS A 28 1.936 -3.250 2.578 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.249 -4.173 1.874 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.485 -5.481 3.965 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.229 -4.525 4.726 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.549 -5.360 3.195 1.00 0.70 H new ATOM 0 HE3 LYS A 28 1.761 -6.112 2.177 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.853 -7.817 3.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.363 -7.492 4.189 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.944 -6.908 4.916 1.00 1.00 H new ATOM 389 N VAL A 29 6.684 -3.649 2.050 1.00 0.23 N ATOM 390 CA VAL A 29 7.888 -3.376 1.286 1.00 0.20 C ATOM 391 C VAL A 29 7.573 -3.394 -0.214 1.00 0.18 C ATOM 392 O VAL A 29 6.618 -4.046 -0.649 1.00 0.21 O ATOM 393 CB VAL A 29 8.988 -4.406 1.626 1.00 0.22 C ATOM 394 CG1 VAL A 29 8.762 -5.719 0.908 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.365 -3.859 1.334 1.00 0.44 C ATOM 0 H VAL A 29 6.111 -4.404 1.672 1.00 0.23 H new ATOM 0 HA VAL A 29 8.257 -2.385 1.552 1.00 0.20 H new ATOM 0 HB VAL A 29 8.927 -4.601 2.697 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.555 -6.419 1.171 1.00 0.31 H new ATOM 0 HG12 VAL A 29 7.799 -6.134 1.204 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.769 -5.551 -0.169 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.115 -4.609 1.585 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.441 -3.610 0.276 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.535 -2.963 1.931 1.00 0.44 H new ATOM 405 N TYR A 30 8.363 -2.664 -0.996 1.00 0.19 N ATOM 406 CA TYR A 30 8.081 -2.467 -2.417 1.00 0.20 C ATOM 407 C TYR A 30 9.388 -2.339 -3.185 1.00 0.20 C ATOM 408 O TYR A 30 10.445 -2.196 -2.586 1.00 0.21 O ATOM 409 CB TYR A 30 7.260 -1.187 -2.630 1.00 0.29 C ATOM 410 CG TYR A 30 6.092 -1.018 -1.679 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.838 -1.529 -1.995 1.00 0.44 C ATOM 412 CD2 TYR A 30 6.237 -0.342 -0.475 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.768 -1.369 -1.142 1.00 0.55 C ATOM 414 CE2 TYR A 30 5.169 -0.182 0.387 1.00 0.57 C ATOM 415 CZ TYR A 30 3.963 -0.722 0.084 1.00 0.60 C ATOM 416 OH TYR A 30 2.867 -0.526 0.895 1.00 0.72 O ATOM 0 H TYR A 30 9.208 -2.196 -0.669 1.00 0.19 H new ATOM 0 HA TYR A 30 7.514 -3.325 -2.777 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.921 -0.326 -2.528 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.882 -1.180 -3.652 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.700 -2.060 -2.925 1.00 0.44 H new ATOM 0 HD2 TYR A 30 7.201 0.066 -0.208 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.791 -1.738 -1.416 1.00 0.55 H new ATOM 0 HE2 TYR A 30 5.295 0.374 1.304 1.00 0.57 H new ATOM 0 HH TYR A 30 3.145 -0.066 1.715 1.00 0.72 H new ATOM 426 N HIS A 31 9.319 -2.402 -4.505 1.00 0.23 N ATOM 427 CA HIS A 31 10.490 -2.136 -5.337 1.00 0.26 C ATOM 428 C HIS A 31 10.561 -0.645 -5.613 1.00 0.32 C ATOM 429 O HIS A 31 9.548 -0.015 -5.905 1.00 0.35 O ATOM 430 CB HIS A 31 10.424 -2.865 -6.688 1.00 0.28 C ATOM 431 CG HIS A 31 10.196 -4.337 -6.606 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.088 -4.918 -7.167 1.00 0.30 N ATOM 433 CD2 HIS A 31 10.968 -5.297 -6.051 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.204 -6.215 -6.939 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.334 -6.498 -6.267 1.00 0.28 N ATOM 0 H HIS A 31 8.472 -2.633 -5.024 1.00 0.23 H new ATOM 0 HA HIS A 31 11.367 -2.494 -4.797 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.625 -2.422 -7.283 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.356 -2.687 -7.224 1.00 0.28 H new ATOM 0 HD2 HIS A 31 11.905 -5.149 -5.535 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.482 -6.954 -7.253 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.657 -7.421 -5.975 1.00 0.28 H new ATOM 443 N ALA A 32 11.754 -0.084 -5.533 1.00 0.38 N ATOM 444 CA ALA A 32 11.956 1.314 -5.866 1.00 0.45 C ATOM 445 C ALA A 32 11.593 1.566 -7.324 1.00 0.48 C ATOM 446 O ALA A 32 11.152 2.655 -7.690 1.00 0.55 O ATOM 447 CB ALA A 32 13.393 1.719 -5.590 1.00 0.53 C ATOM 0 H ALA A 32 12.598 -0.576 -5.240 1.00 0.38 H new ATOM 0 HA ALA A 32 11.304 1.923 -5.240 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.530 2.770 -5.844 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.617 1.569 -4.534 1.00 0.53 H new ATOM 0 HB3 ALA A 32 14.065 1.109 -6.193 1.00 0.53 H new ATOM 453 N ASP A 33 11.787 0.540 -8.148 1.00 0.48 N ATOM 454 CA ASP A 33 11.512 0.630 -9.578 1.00 0.55 C ATOM 455 C ASP A 33 10.020 0.802 -9.865 1.00 0.54 C ATOM 456 O ASP A 33 9.632 1.703 -10.606 1.00 0.62 O ATOM 457 CB ASP A 33 12.048 -0.600 -10.312 1.00 0.60 C ATOM 458 CG ASP A 33 11.818 -0.514 -11.807 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.993 -1.285 -12.334 1.00 1.90 O ATOM 460 OD2 ASP A 33 12.468 0.327 -12.463 1.00 2.01 O ATOM 0 H ASP A 33 12.136 -0.370 -7.846 1.00 0.48 H new ATOM 0 HA ASP A 33 12.027 1.518 -9.946 1.00 0.55 H new ATOM 0 HB2 ASP A 33 13.115 -0.703 -10.115 1.00 0.60 H new ATOM 0 HB3 ASP A 33 11.563 -1.495 -9.922 1.00 0.60 H new ATOM 465 N CYS A 34 9.181 -0.043 -9.267 1.00 0.48 N ATOM 466 CA CYS A 34 7.742 0.018 -9.518 1.00 0.52 C ATOM 467 C CYS A 34 7.142 1.259 -8.868 1.00 0.56 C ATOM 468 O CYS A 34 6.059 1.712 -9.238 1.00 0.67 O ATOM 469 CB CYS A 34 7.046 -1.251 -9.005 1.00 0.50 C ATOM 470 SG CYS A 34 7.539 -1.736 -7.336 1.00 0.44 S ATOM 0 H CYS A 34 9.469 -0.770 -8.612 1.00 0.48 H new ATOM 0 HA CYS A 34 7.583 0.080 -10.595 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.968 -1.094 -9.023 1.00 0.50 H new ATOM 0 HB3 CYS A 34 7.260 -2.072 -9.689 1.00 0.50 H new ATOM 475 N LEU A 35 7.860 1.805 -7.898 1.00 0.52 N ATOM 476 CA LEU A 35 7.453 3.038 -7.247 1.00 0.58 C ATOM 477 C LEU A 35 7.941 4.256 -8.026 1.00 0.67 C ATOM 478 O LEU A 35 7.604 5.392 -7.695 1.00 0.74 O ATOM 479 CB LEU A 35 8.010 3.094 -5.828 1.00 0.55 C ATOM 480 CG LEU A 35 7.498 2.023 -4.871 1.00 0.49 C ATOM 481 CD1 LEU A 35 8.303 2.058 -3.588 1.00 0.48 C ATOM 482 CD2 LEU A 35 6.023 2.223 -4.571 1.00 0.54 C ATOM 0 H LEU A 35 8.731 1.410 -7.544 1.00 0.52 H new ATOM 0 HA LEU A 35 6.364 3.054 -7.215 1.00 0.58 H new ATOM 0 HB2 LEU A 35 9.096 3.018 -5.881 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.779 4.072 -5.406 1.00 0.55 H new ATOM 0 HG LEU A 35 7.617 1.049 -5.345 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.935 1.291 -2.906 1.00 0.48 H new ATOM 0 HD12 LEU A 35 9.353 1.870 -3.812 1.00 0.48 H new ATOM 0 HD13 LEU A 35 8.201 3.038 -3.121 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.682 1.446 -3.886 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.874 3.201 -4.113 1.00 0.54 H new ATOM 0 HD23 LEU A 35 5.452 2.166 -5.498 1.00 0.54 H new ATOM 494 N ASN A 36 8.745 3.994 -9.058 1.00 0.68 N ATOM 495 CA ASN A 36 9.330 5.042 -9.894 1.00 0.77 C ATOM 496 C ASN A 36 10.184 5.992 -9.065 1.00 0.78 C ATOM 497 O ASN A 36 10.212 7.201 -9.310 1.00 0.87 O ATOM 498 CB ASN A 36 8.242 5.815 -10.642 1.00 0.86 C ATOM 499 CG ASN A 36 7.604 4.998 -11.750 1.00 1.46 C ATOM 500 OD1 ASN A 36 8.261 4.178 -12.395 1.00 2.09 O ATOM 501 ND2 ASN A 36 6.320 5.214 -11.978 1.00 2.13 N ATOM 0 H ASN A 36 9.008 3.049 -9.337 1.00 0.68 H new ATOM 0 HA ASN A 36 9.974 4.559 -10.628 1.00 0.77 H new ATOM 0 HB2 ASN A 36 7.472 6.127 -9.936 1.00 0.86 H new ATOM 0 HB3 ASN A 36 8.672 6.722 -11.066 1.00 0.86 H new ATOM 0 HD21 ASN A 36 5.837 4.693 -12.710 1.00 2.13 H new ATOM 0 HD22 ASN A 36 5.812 5.902 -11.422 1.00 2.13 H new ATOM 508 N LEU A 37 10.891 5.437 -8.089 1.00 0.71 N ATOM 509 CA LEU A 37 11.743 6.229 -7.218 1.00 0.75 C ATOM 510 C LEU A 37 13.079 6.523 -7.886 1.00 0.83 C ATOM 511 O LEU A 37 14.091 5.887 -7.586 1.00 0.88 O ATOM 512 CB LEU A 37 11.977 5.515 -5.883 1.00 0.69 C ATOM 513 CG LEU A 37 10.758 5.416 -4.960 1.00 0.69 C ATOM 514 CD1 LEU A 37 11.131 4.721 -3.659 1.00 0.69 C ATOM 515 CD2 LEU A 37 10.189 6.796 -4.670 1.00 0.78 C ATOM 0 H LEU A 37 10.890 4.438 -7.882 1.00 0.71 H new ATOM 0 HA LEU A 37 11.231 7.172 -7.026 1.00 0.75 H new ATOM 0 HB2 LEU A 37 12.336 4.507 -6.089 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.773 6.034 -5.349 1.00 0.69 H new ATOM 0 HG LEU A 37 9.995 4.826 -5.468 1.00 0.69 H new ATOM 0 HD11 LEU A 37 10.254 4.659 -3.015 1.00 0.69 H new ATOM 0 HD12 LEU A 37 11.495 3.716 -3.874 1.00 0.69 H new ATOM 0 HD13 LEU A 37 11.912 5.289 -3.154 1.00 0.69 H new ATOM 0 HD21 LEU A 37 9.324 6.702 -4.013 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.949 7.408 -4.185 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.885 7.268 -5.604 1.00 0.78 H new ATOM 527 N THR A 38 13.073 7.472 -8.811 1.00 0.91 N ATOM 528 CA THR A 38 14.304 7.958 -9.412 1.00 1.03 C ATOM 529 C THR A 38 15.104 8.743 -8.371 1.00 1.04 C ATOM 530 O THR A 38 16.325 8.870 -8.460 1.00 1.14 O ATOM 531 CB THR A 38 13.999 8.843 -10.634 1.00 1.16 C ATOM 532 OG1 THR A 38 13.066 8.166 -11.488 1.00 1.43 O ATOM 533 CG2 THR A 38 15.264 9.158 -11.418 1.00 1.59 C ATOM 0 H THR A 38 12.227 7.921 -9.161 1.00 0.91 H new ATOM 0 HA THR A 38 14.894 7.106 -9.751 1.00 1.03 H new ATOM 0 HB THR A 38 13.575 9.782 -10.280 1.00 1.16 H new ATOM 0 HG1 THR A 38 12.868 8.727 -12.266 1.00 1.43 H new ATOM 0 HG21 THR A 38 15.015 9.784 -12.274 1.00 1.59 H new ATOM 0 HG22 THR A 38 15.968 9.686 -10.775 1.00 1.59 H new ATOM 0 HG23 THR A 38 15.716 8.230 -11.767 1.00 1.59 H new ATOM 541 N LYS A 39 14.394 9.248 -7.371 1.00 0.99 N ATOM 542 CA LYS A 39 15.011 9.922 -6.243 1.00 1.02 C ATOM 543 C LYS A 39 14.897 9.032 -5.014 1.00 0.94 C ATOM 544 O LYS A 39 13.796 8.807 -4.511 1.00 0.96 O ATOM 545 CB LYS A 39 14.322 11.265 -5.969 1.00 1.12 C ATOM 546 CG LYS A 39 14.270 12.200 -7.172 1.00 1.57 C ATOM 547 CD LYS A 39 13.554 13.502 -6.840 1.00 1.98 C ATOM 548 CE LYS A 39 12.087 13.280 -6.488 1.00 2.58 C ATOM 549 NZ LYS A 39 11.306 12.734 -7.633 1.00 3.17 N ATOM 0 H LYS A 39 13.376 9.201 -7.321 1.00 0.99 H new ATOM 0 HA LYS A 39 16.059 10.114 -6.474 1.00 1.02 H new ATOM 0 HB2 LYS A 39 13.305 11.075 -5.627 1.00 1.12 H new ATOM 0 HB3 LYS A 39 14.843 11.768 -5.155 1.00 1.12 H new ATOM 0 HG2 LYS A 39 15.284 12.417 -7.509 1.00 1.57 H new ATOM 0 HG3 LYS A 39 13.760 11.704 -7.997 1.00 1.57 H new ATOM 0 HD2 LYS A 39 14.057 13.988 -6.004 1.00 1.98 H new ATOM 0 HD3 LYS A 39 13.623 14.180 -7.691 1.00 1.98 H new ATOM 0 HE2 LYS A 39 12.018 12.593 -5.644 1.00 2.58 H new ATOM 0 HE3 LYS A 39 11.646 14.224 -6.168 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 10.292 12.759 -7.405 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 11.484 13.310 -8.481 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 11.596 11.752 -7.814 1.00 3.17 H new ATOM 563 N ARG A 40 16.019 8.508 -4.544 1.00 0.97 N ATOM 564 CA ARG A 40 16.009 7.637 -3.379 1.00 0.95 C ATOM 565 C ARG A 40 15.997 8.466 -2.094 1.00 0.91 C ATOM 566 O ARG A 40 16.949 9.194 -1.797 1.00 1.01 O ATOM 567 CB ARG A 40 17.195 6.666 -3.401 1.00 1.10 C ATOM 568 CG ARG A 40 18.557 7.337 -3.470 1.00 1.80 C ATOM 569 CD ARG A 40 19.678 6.318 -3.343 1.00 1.93 C ATOM 570 NE ARG A 40 19.681 5.366 -4.451 1.00 2.49 N ATOM 571 CZ ARG A 40 19.725 4.040 -4.304 1.00 2.88 C ATOM 572 NH1 ARG A 40 19.738 3.495 -3.090 1.00 2.66 N ATOM 573 NH2 ARG A 40 19.747 3.259 -5.376 1.00 3.84 N ATOM 0 H ARG A 40 16.942 8.669 -4.948 1.00 0.97 H new ATOM 0 HA ARG A 40 15.098 7.039 -3.409 1.00 0.95 H new ATOM 0 HB2 ARG A 40 17.155 6.044 -2.507 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.088 6.001 -4.258 1.00 1.10 H new ATOM 0 HG2 ARG A 40 18.654 7.873 -4.414 1.00 1.80 H new ATOM 0 HG3 ARG A 40 18.642 8.076 -2.674 1.00 1.80 H new ATOM 0 HD2 ARG A 40 20.636 6.836 -3.308 1.00 1.93 H new ATOM 0 HD3 ARG A 40 19.572 5.778 -2.402 1.00 1.93 H new ATOM 0 HE ARG A 40 19.647 5.739 -5.400 1.00 2.49 H new ATOM 0 HH11 ARG A 40 19.714 4.091 -2.263 1.00 2.66 H new ATOM 0 HH12 ARG A 40 19.772 2.481 -2.987 1.00 2.66 H new ATOM 0 HH21 ARG A 40 19.730 3.672 -6.308 1.00 3.84 H new ATOM 0 HH22 ARG A 40 19.781 2.245 -5.268 1.00 3.84 H new ATOM 587 N PRO A 41 14.902 8.382 -1.327 1.00 0.85 N ATOM 588 CA PRO A 41 14.712 9.191 -0.124 1.00 0.87 C ATOM 589 C PRO A 41 15.490 8.668 1.082 1.00 0.96 C ATOM 590 O PRO A 41 15.608 7.458 1.292 1.00 1.05 O ATOM 591 CB PRO A 41 13.209 9.089 0.121 1.00 0.88 C ATOM 592 CG PRO A 41 12.832 7.754 -0.415 1.00 0.96 C ATOM 593 CD PRO A 41 13.752 7.492 -1.581 1.00 0.86 C ATOM 0 HA PRO A 41 15.077 10.209 -0.259 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.974 9.171 1.182 1.00 0.88 H new ATOM 0 HB3 PRO A 41 12.669 9.888 -0.388 1.00 0.88 H new ATOM 0 HG2 PRO A 41 12.942 6.983 0.348 1.00 0.96 H new ATOM 0 HG3 PRO A 41 11.789 7.742 -0.732 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.057 6.446 -1.623 1.00 0.86 H new ATOM 0 HD3 PRO A 41 13.270 7.722 -2.531 1.00 0.86 H new ATOM 601 N ALA A 42 16.009 9.590 1.879 1.00 1.05 N ATOM 602 CA ALA A 42 16.758 9.243 3.073 1.00 1.18 C ATOM 603 C ALA A 42 16.085 9.830 4.305 1.00 1.15 C ATOM 604 O ALA A 42 15.654 10.985 4.290 1.00 1.21 O ATOM 605 CB ALA A 42 18.187 9.744 2.958 1.00 1.41 C ATOM 0 H ALA A 42 15.923 10.593 1.716 1.00 1.05 H new ATOM 0 HA ALA A 42 16.778 8.158 3.174 1.00 1.18 H new ATOM 0 HB1 ALA A 42 18.739 9.478 3.859 1.00 1.41 H new ATOM 0 HB2 ALA A 42 18.664 9.286 2.091 1.00 1.41 H new ATOM 0 HB3 ALA A 42 18.184 10.828 2.841 1.00 1.41 H new ATOM 611 N GLY A 43 15.979 9.036 5.359 1.00 1.17 N ATOM 612 CA GLY A 43 15.339 9.503 6.569 1.00 1.18 C ATOM 613 C GLY A 43 13.933 8.971 6.694 1.00 1.04 C ATOM 614 O GLY A 43 13.723 7.760 6.781 1.00 1.12 O ATOM 0 H GLY A 43 16.325 8.077 5.398 1.00 1.17 H new ATOM 0 HA2 GLY A 43 15.925 9.192 7.434 1.00 1.18 H new ATOM 0 HA3 GLY A 43 15.318 10.593 6.573 1.00 1.18 H new ATOM 618 N LYS A 44 12.964 9.868 6.695 1.00 1.00 N ATOM 619 CA LYS A 44 11.574 9.468 6.768 1.00 0.92 C ATOM 620 C LYS A 44 10.956 9.368 5.384 1.00 0.80 C ATOM 621 O LYS A 44 10.694 10.377 4.730 1.00 0.84 O ATOM 622 CB LYS A 44 10.777 10.454 7.619 1.00 1.04 C ATOM 623 CG LYS A 44 10.728 10.097 9.095 1.00 1.53 C ATOM 624 CD LYS A 44 9.969 8.798 9.336 1.00 1.94 C ATOM 625 CE LYS A 44 8.562 8.856 8.759 1.00 2.69 C ATOM 626 NZ LYS A 44 7.807 7.602 8.997 1.00 3.46 N ATOM 0 H LYS A 44 13.115 10.876 6.646 1.00 1.00 H new ATOM 0 HA LYS A 44 11.538 8.483 7.233 1.00 0.92 H new ATOM 0 HB2 LYS A 44 11.213 11.447 7.510 1.00 1.04 H new ATOM 0 HB3 LYS A 44 9.758 10.509 7.235 1.00 1.04 H new ATOM 0 HG2 LYS A 44 11.743 10.002 9.480 1.00 1.53 H new ATOM 0 HG3 LYS A 44 10.251 10.905 9.649 1.00 1.53 H new ATOM 0 HD2 LYS A 44 10.514 7.969 8.885 1.00 1.94 H new ATOM 0 HD3 LYS A 44 9.916 8.600 10.407 1.00 1.94 H new ATOM 0 HE2 LYS A 44 8.023 9.693 9.204 1.00 2.69 H new ATOM 0 HE3 LYS A 44 8.618 9.046 7.687 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 7.114 7.464 8.234 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 8.466 6.798 9.015 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 7.311 7.663 9.909 1.00 3.46 H new ATOM 640 N TRP A 45 10.726 8.143 4.949 1.00 0.72 N ATOM 641 CA TRP A 45 10.013 7.893 3.717 1.00 0.62 C ATOM 642 C TRP A 45 8.677 7.224 4.013 1.00 0.53 C ATOM 643 O TRP A 45 8.621 6.212 4.721 1.00 0.53 O ATOM 644 CB TRP A 45 10.839 7.023 2.765 1.00 0.62 C ATOM 645 CG TRP A 45 10.076 6.627 1.537 1.00 0.55 C ATOM 646 CD1 TRP A 45 9.658 7.455 0.537 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.629 5.313 1.181 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.976 6.744 -0.412 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.942 5.426 -0.043 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.739 4.053 1.775 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.369 4.332 -0.679 1.00 0.43 C ATOM 652 CZ3 TRP A 45 9.169 2.964 1.139 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.492 3.111 -0.076 1.00 0.42 C ATOM 0 H TRP A 45 11.027 7.300 5.438 1.00 0.72 H new ATOM 0 HA TRP A 45 9.834 8.851 3.229 1.00 0.62 H new ATOM 0 HB2 TRP A 45 11.738 7.565 2.471 1.00 0.62 H new ATOM 0 HB3 TRP A 45 11.166 6.126 3.290 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.839 8.519 0.500 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.560 7.133 -1.258 1.00 0.51 H new ATOM 0 HE3 TRP A 45 10.259 3.931 2.713 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.845 4.442 -1.617 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.248 1.985 1.588 1.00 0.44 H new ATOM 0 HH2 TRP A 45 8.057 2.242 -0.548 1.00 0.42 H new ATOM 664 N GLU A 46 7.613 7.795 3.477 1.00 0.51 N ATOM 665 CA GLU A 46 6.277 7.258 3.660 1.00 0.48 C ATOM 666 C GLU A 46 5.874 6.435 2.441 1.00 0.39 C ATOM 667 O GLU A 46 5.943 6.920 1.313 1.00 0.42 O ATOM 668 CB GLU A 46 5.284 8.403 3.858 1.00 0.60 C ATOM 669 CG GLU A 46 5.548 9.228 5.105 1.00 1.17 C ATOM 670 CD GLU A 46 5.139 8.514 6.372 1.00 1.33 C ATOM 671 OE1 GLU A 46 6.025 7.929 7.031 1.00 1.73 O ATOM 672 OE2 GLU A 46 3.937 8.521 6.711 1.00 1.82 O ATOM 0 H GLU A 46 7.650 8.639 2.906 1.00 0.51 H new ATOM 0 HA GLU A 46 6.270 6.616 4.541 1.00 0.48 H new ATOM 0 HB2 GLU A 46 5.317 9.057 2.986 1.00 0.60 H new ATOM 0 HB3 GLU A 46 4.275 7.993 3.911 1.00 0.60 H new ATOM 0 HG2 GLU A 46 6.609 9.472 5.156 1.00 1.17 H new ATOM 0 HG3 GLU A 46 5.007 10.171 5.033 1.00 1.17 H new ATOM 679 N CYS A 47 5.473 5.188 2.661 1.00 0.32 N ATOM 680 CA CYS A 47 5.003 4.355 1.564 1.00 0.28 C ATOM 681 C CYS A 47 3.677 4.904 1.041 1.00 0.26 C ATOM 682 O CYS A 47 2.859 5.408 1.815 1.00 0.27 O ATOM 683 CB CYS A 47 4.845 2.888 2.004 1.00 0.28 C ATOM 684 SG CYS A 47 3.405 2.547 3.052 1.00 0.26 S ATOM 0 H CYS A 47 5.464 4.738 3.576 1.00 0.32 H new ATOM 0 HA CYS A 47 5.745 4.379 0.766 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.782 2.263 1.113 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.745 2.588 2.541 1.00 0.28 H new ATOM 689 N PRO A 48 3.448 4.817 -0.285 1.00 0.27 N ATOM 690 CA PRO A 48 2.224 5.332 -0.928 1.00 0.29 C ATOM 691 C PRO A 48 0.963 4.629 -0.437 1.00 0.27 C ATOM 692 O PRO A 48 -0.150 5.006 -0.797 1.00 0.30 O ATOM 693 CB PRO A 48 2.443 5.040 -2.418 1.00 0.35 C ATOM 694 CG PRO A 48 3.478 3.972 -2.452 1.00 0.34 C ATOM 695 CD PRO A 48 4.371 4.230 -1.272 1.00 0.29 C ATOM 0 HA PRO A 48 2.071 6.387 -0.703 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.520 4.711 -2.896 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.777 5.931 -2.950 1.00 0.35 H new ATOM 0 HG2 PRO A 48 3.022 2.984 -2.389 1.00 0.34 H new ATOM 0 HG3 PRO A 48 4.042 4.004 -3.384 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.828 3.312 -0.902 1.00 0.29 H new ATOM 0 HD3 PRO A 48 5.184 4.912 -1.521 1.00 0.29 H new ATOM 703 N TRP A 49 1.157 3.612 0.389 1.00 0.24 N ATOM 704 CA TRP A 49 0.059 2.860 0.981 1.00 0.23 C ATOM 705 C TRP A 49 -0.594 3.681 2.095 1.00 0.23 C ATOM 706 O TRP A 49 -1.675 3.352 2.577 1.00 0.27 O ATOM 707 CB TRP A 49 0.597 1.532 1.527 1.00 0.22 C ATOM 708 CG TRP A 49 -0.422 0.437 1.644 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.405 0.118 0.747 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.528 -0.513 2.711 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.119 -0.968 1.199 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.600 -1.370 2.402 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.179 -0.720 3.902 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.981 -2.416 3.238 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.201 -1.759 4.731 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.274 -2.597 4.394 1.00 0.32 C ATOM 0 H TRP A 49 2.081 3.284 0.669 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.698 2.652 0.225 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.404 1.190 0.879 1.00 0.22 H new ATOM 0 HB3 TRP A 49 1.032 1.710 2.510 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.593 0.641 -0.179 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -2.906 -1.403 0.717 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.007 -0.079 4.168 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.807 -3.063 2.982 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.337 -1.928 5.652 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.547 -3.401 5.061 1.00 0.32 H new ATOM 727 N HIS A 50 0.078 4.754 2.511 1.00 0.23 N ATOM 728 CA HIS A 50 -0.504 5.691 3.470 1.00 0.24 C ATOM 729 C HIS A 50 -1.092 6.888 2.741 1.00 0.25 C ATOM 730 O HIS A 50 -1.575 7.831 3.368 1.00 0.29 O ATOM 731 CB HIS A 50 0.538 6.214 4.462 1.00 0.27 C ATOM 732 CG HIS A 50 1.327 5.167 5.175 1.00 0.28 C ATOM 733 ND1 HIS A 50 0.821 3.966 5.617 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.627 5.188 5.542 1.00 0.30 C ATOM 735 CE1 HIS A 50 1.816 3.308 6.230 1.00 0.35 C ATOM 736 NE2 HIS A 50 2.936 4.013 6.213 1.00 0.34 N ATOM 0 H HIS A 50 1.020 4.995 2.201 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.276 5.147 4.014 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.230 6.864 3.927 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.031 6.830 5.204 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.318 5.994 5.344 1.00 0.30 H new ATOM 0 HE1 HIS A 50 1.716 2.331 6.679 1.00 0.35 H new ATOM 0 HE2 HIS A 50 3.838 3.748 6.610 1.00 0.34 H new ATOM 744 N GLN A 51 -1.034 6.862 1.421 1.00 0.25 N ATOM 745 CA GLN A 51 -1.455 8.003 0.623 1.00 0.28 C ATOM 746 C GLN A 51 -2.646 7.639 -0.241 1.00 0.24 C ATOM 747 O GLN A 51 -2.692 6.563 -0.835 1.00 0.26 O ATOM 748 CB GLN A 51 -0.299 8.505 -0.247 1.00 0.38 C ATOM 749 CG GLN A 51 0.943 8.855 0.557 1.00 0.48 C ATOM 750 CD GLN A 51 0.796 10.136 1.365 1.00 0.55 C ATOM 751 OE1 GLN A 51 1.157 11.215 0.897 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.256 10.036 2.575 1.00 0.86 N ATOM 0 H GLN A 51 -0.700 6.065 0.879 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.752 8.804 1.300 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.046 7.740 -0.981 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.625 9.384 -0.802 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.174 8.032 1.233 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.790 8.957 -0.122 1.00 0.48 H new ATOM 0 HE21 GLN A 51 -0.032 9.125 2.931 1.00 0.86 H new ATOM 0 HE22 GLN A 51 0.129 10.871 3.148 1.00 0.86 H new ATOM 761 N CYS A 52 -3.616 8.533 -0.287 1.00 0.23 N ATOM 762 CA CYS A 52 -4.814 8.327 -1.076 1.00 0.21 C ATOM 763 C CYS A 52 -4.472 8.390 -2.556 1.00 0.26 C ATOM 764 O CYS A 52 -3.922 9.382 -3.031 1.00 0.31 O ATOM 765 CB CYS A 52 -5.851 9.394 -0.719 1.00 0.22 C ATOM 766 SG CYS A 52 -7.448 9.242 -1.563 1.00 0.23 S ATOM 0 H CYS A 52 -3.595 9.418 0.219 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.231 7.344 -0.858 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.024 9.363 0.357 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.431 10.374 -0.946 1.00 0.22 H new ATOM 771 N ASP A 53 -4.802 7.329 -3.277 1.00 0.28 N ATOM 772 CA ASP A 53 -4.497 7.235 -4.704 1.00 0.35 C ATOM 773 C ASP A 53 -5.252 8.301 -5.499 1.00 0.36 C ATOM 774 O ASP A 53 -4.903 8.604 -6.639 1.00 0.42 O ATOM 775 CB ASP A 53 -4.835 5.833 -5.234 1.00 0.39 C ATOM 776 CG ASP A 53 -4.451 5.647 -6.689 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.343 5.363 -7.515 1.00 0.56 O ATOM 778 OD2 ASP A 53 -3.253 5.786 -7.018 1.00 0.64 O ATOM 0 H ASP A 53 -5.284 6.514 -2.898 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.429 7.410 -4.833 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -4.320 5.087 -4.629 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -5.904 5.654 -5.119 1.00 0.39 H new ATOM 783 N VAL A 54 -6.274 8.885 -4.885 1.00 0.33 N ATOM 784 CA VAL A 54 -7.071 9.902 -5.551 1.00 0.36 C ATOM 785 C VAL A 54 -6.506 11.302 -5.312 1.00 0.37 C ATOM 786 O VAL A 54 -6.135 11.995 -6.256 1.00 0.44 O ATOM 787 CB VAL A 54 -8.541 9.867 -5.088 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.349 10.951 -5.780 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.157 8.504 -5.351 1.00 0.33 C ATOM 0 H VAL A 54 -6.568 8.672 -3.932 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.029 9.677 -6.617 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.559 10.053 -4.014 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.383 10.908 -5.438 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -8.928 11.927 -5.540 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.316 10.797 -6.859 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.194 8.503 -5.016 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.120 8.288 -6.419 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -8.599 7.742 -4.807 1.00 0.33 H new ATOM 799 N CYS A 55 -6.421 11.711 -4.048 1.00 0.34 N ATOM 800 CA CYS A 55 -6.070 13.095 -3.741 1.00 0.36 C ATOM 801 C CYS A 55 -4.642 13.239 -3.218 1.00 0.35 C ATOM 802 O CYS A 55 -4.139 14.352 -3.080 1.00 0.41 O ATOM 803 CB CYS A 55 -7.066 13.690 -2.742 1.00 0.37 C ATOM 804 SG CYS A 55 -7.110 12.876 -1.123 1.00 0.32 S ATOM 0 H CYS A 55 -6.587 11.118 -3.235 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.122 13.650 -4.678 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -6.825 14.743 -2.596 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.064 13.649 -3.179 1.00 0.37 H new ATOM 809 N GLY A 56 -3.987 12.123 -2.923 1.00 0.33 N ATOM 810 CA GLY A 56 -2.622 12.179 -2.430 1.00 0.36 C ATOM 811 C GLY A 56 -2.535 12.485 -0.945 1.00 0.38 C ATOM 812 O GLY A 56 -1.451 12.468 -0.374 1.00 0.49 O ATOM 0 H GLY A 56 -4.373 11.184 -3.015 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.132 11.226 -2.627 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.073 12.940 -2.984 1.00 0.36 H new ATOM 816 N LYS A 57 -3.671 12.766 -0.316 1.00 0.35 N ATOM 817 CA LYS A 57 -3.692 13.068 1.111 1.00 0.39 C ATOM 818 C LYS A 57 -3.605 11.786 1.932 1.00 0.33 C ATOM 819 O LYS A 57 -3.511 10.692 1.371 1.00 0.33 O ATOM 820 CB LYS A 57 -4.957 13.846 1.480 1.00 0.48 C ATOM 821 CG LYS A 57 -5.095 15.168 0.738 1.00 0.65 C ATOM 822 CD LYS A 57 -6.402 15.876 1.072 1.00 0.78 C ATOM 823 CE LYS A 57 -6.433 16.400 2.506 1.00 1.16 C ATOM 824 NZ LYS A 57 -5.444 17.487 2.727 1.00 1.91 N ATOM 0 H LYS A 57 -4.585 12.791 -0.769 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.825 13.687 1.339 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.829 13.227 1.269 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -4.955 14.039 2.553 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -4.256 15.816 0.993 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -5.044 14.988 -0.336 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -6.548 16.707 0.382 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -7.233 15.187 0.922 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -7.433 16.769 2.735 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -6.230 15.580 3.195 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -5.634 17.949 3.639 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -4.484 17.087 2.735 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -5.521 18.187 1.962 1.00 1.91 H new ATOM 838 N GLU A 58 -3.649 11.926 3.250 1.00 0.35 N ATOM 839 CA GLU A 58 -3.542 10.787 4.156 1.00 0.37 C ATOM 840 C GLU A 58 -4.638 9.764 3.887 1.00 0.30 C ATOM 841 O GLU A 58 -5.821 10.101 3.826 1.00 0.36 O ATOM 842 CB GLU A 58 -3.623 11.253 5.613 1.00 0.51 C ATOM 843 CG GLU A 58 -3.545 10.119 6.623 1.00 0.88 C ATOM 844 CD GLU A 58 -3.684 10.596 8.050 1.00 1.30 C ATOM 845 OE1 GLU A 58 -2.652 10.889 8.686 1.00 1.50 O ATOM 846 OE2 GLU A 58 -4.827 10.672 8.547 1.00 2.03 O ATOM 0 H GLU A 58 -3.759 12.825 3.720 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.575 10.315 3.980 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.813 11.956 5.806 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -4.557 11.795 5.760 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -4.330 9.393 6.409 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -2.593 9.601 6.509 1.00 0.88 H new ATOM 853 N ALA A 59 -4.237 8.520 3.708 1.00 0.26 N ATOM 854 CA ALA A 59 -5.182 7.434 3.543 1.00 0.21 C ATOM 855 C ALA A 59 -5.628 6.917 4.903 1.00 0.23 C ATOM 856 O ALA A 59 -4.807 6.719 5.800 1.00 0.30 O ATOM 857 CB ALA A 59 -4.564 6.314 2.731 1.00 0.22 C ATOM 0 H ALA A 59 -3.258 8.236 3.673 1.00 0.26 H new ATOM 0 HA ALA A 59 -6.054 7.809 3.007 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.287 5.506 2.616 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.281 6.690 1.748 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.679 5.938 3.244 1.00 0.22 H new ATOM 863 N ALA A 60 -6.928 6.707 5.055 1.00 0.20 N ATOM 864 CA ALA A 60 -7.477 6.216 6.307 1.00 0.23 C ATOM 865 C ALA A 60 -7.693 4.715 6.233 1.00 0.23 C ATOM 866 O ALA A 60 -7.609 4.009 7.239 1.00 0.30 O ATOM 867 CB ALA A 60 -8.782 6.923 6.629 1.00 0.27 C ATOM 0 H ALA A 60 -7.621 6.870 4.325 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.765 6.427 7.105 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -9.179 6.543 7.570 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.603 7.995 6.717 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.502 6.740 5.831 1.00 0.27 H new ATOM 873 N SER A 61 -7.972 4.236 5.034 1.00 0.21 N ATOM 874 CA SER A 61 -8.158 2.820 4.811 1.00 0.23 C ATOM 875 C SER A 61 -7.326 2.375 3.616 1.00 0.20 C ATOM 876 O SER A 61 -7.259 3.072 2.600 1.00 0.30 O ATOM 877 CB SER A 61 -9.639 2.517 4.600 1.00 0.30 C ATOM 878 OG SER A 61 -10.162 3.279 3.528 1.00 0.35 O ATOM 0 H SER A 61 -8.074 4.812 4.199 1.00 0.21 H new ATOM 0 HA SER A 61 -7.822 2.264 5.686 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.771 1.455 4.395 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.193 2.737 5.512 1.00 0.30 H new ATOM 0 HG SER A 61 -9.428 3.719 3.051 1.00 0.35 H new ATOM 884 N PHE A 62 -6.692 1.224 3.750 1.00 0.21 N ATOM 885 CA PHE A 62 -5.729 0.757 2.768 1.00 0.20 C ATOM 886 C PHE A 62 -6.211 -0.552 2.153 1.00 0.19 C ATOM 887 O PHE A 62 -6.658 -1.439 2.877 1.00 0.22 O ATOM 888 CB PHE A 62 -4.375 0.535 3.463 1.00 0.26 C ATOM 889 CG PHE A 62 -4.142 1.446 4.645 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.028 0.919 5.922 1.00 0.68 C ATOM 891 CD2 PHE A 62 -4.061 2.822 4.487 1.00 0.29 C ATOM 892 CE1 PHE A 62 -3.835 1.743 7.014 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.868 3.649 5.576 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.756 3.109 6.840 1.00 0.47 C ATOM 0 H PHE A 62 -6.828 0.590 4.537 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.621 1.500 1.978 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.313 -0.501 3.796 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.575 0.684 2.737 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.091 -0.150 6.065 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -4.150 3.252 3.500 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -3.746 1.318 8.003 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.805 4.718 5.438 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.607 3.755 7.693 1.00 0.47 H new ATOM 904 N CYS A 63 -6.154 -0.676 0.828 1.00 0.18 N ATOM 905 CA CYS A 63 -6.508 -1.940 0.197 1.00 0.18 C ATOM 906 C CYS A 63 -5.474 -2.991 0.571 1.00 0.19 C ATOM 907 O CYS A 63 -4.277 -2.796 0.370 1.00 0.22 O ATOM 908 CB CYS A 63 -6.614 -1.824 -1.331 1.00 0.20 C ATOM 909 SG CYS A 63 -7.317 -3.305 -2.099 1.00 0.23 S ATOM 0 H CYS A 63 -5.873 0.065 0.186 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.493 -2.231 0.561 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.231 -0.962 -1.584 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.623 -1.640 -1.747 1.00 0.20 H new ATOM 914 N GLU A 64 -5.939 -4.099 1.121 1.00 0.19 N ATOM 915 CA GLU A 64 -5.048 -5.153 1.578 1.00 0.23 C ATOM 916 C GLU A 64 -4.733 -6.127 0.449 1.00 0.25 C ATOM 917 O GLU A 64 -4.167 -7.197 0.678 1.00 0.29 O ATOM 918 CB GLU A 64 -5.666 -5.899 2.759 1.00 0.24 C ATOM 919 CG GLU A 64 -5.879 -5.029 3.988 1.00 0.24 C ATOM 920 CD GLU A 64 -6.354 -5.828 5.177 1.00 0.29 C ATOM 921 OE1 GLU A 64 -5.497 -6.319 5.940 1.00 0.42 O ATOM 922 OE2 GLU A 64 -7.579 -5.976 5.353 1.00 0.32 O ATOM 0 H GLU A 64 -6.930 -4.293 1.263 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.116 -4.690 1.902 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.624 -6.318 2.451 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.022 -6.737 3.025 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -4.946 -4.525 4.240 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.609 -4.252 3.759 1.00 0.24 H new ATOM 929 N MET A 65 -5.109 -5.757 -0.767 1.00 0.27 N ATOM 930 CA MET A 65 -4.821 -6.583 -1.934 1.00 0.32 C ATOM 931 C MET A 65 -3.976 -5.826 -2.956 1.00 0.35 C ATOM 932 O MET A 65 -3.453 -6.421 -3.897 1.00 0.44 O ATOM 933 CB MET A 65 -6.121 -7.061 -2.582 1.00 0.34 C ATOM 934 CG MET A 65 -7.010 -7.872 -1.647 1.00 0.36 C ATOM 935 SD MET A 65 -8.596 -8.310 -2.389 1.00 0.70 S ATOM 936 CE MET A 65 -8.058 -9.217 -3.835 1.00 1.54 C ATOM 0 H MET A 65 -5.612 -4.894 -0.972 1.00 0.27 H new ATOM 0 HA MET A 65 -4.251 -7.448 -1.596 1.00 0.32 H new ATOM 0 HB2 MET A 65 -6.679 -6.195 -2.939 1.00 0.34 H new ATOM 0 HB3 MET A 65 -5.880 -7.667 -3.456 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.487 -8.783 -1.356 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.186 -7.301 -0.736 1.00 0.36 H new ATOM 0 HE1 MET A 65 -8.903 -9.761 -4.259 1.00 1.54 H new ATOM 0 HE2 MET A 65 -7.666 -8.521 -4.576 1.00 1.54 H new ATOM 0 HE3 MET A 65 -7.277 -9.923 -3.552 1.00 1.54 H new ATOM 946 N CYS A 66 -3.834 -4.514 -2.767 1.00 0.32 N ATOM 947 CA CYS A 66 -3.058 -3.692 -3.685 1.00 0.34 C ATOM 948 C CYS A 66 -2.817 -2.317 -3.062 1.00 0.33 C ATOM 949 O CYS A 66 -3.527 -1.931 -2.134 1.00 0.32 O ATOM 950 CB CYS A 66 -3.802 -3.542 -5.012 1.00 0.35 C ATOM 951 SG CYS A 66 -5.108 -2.299 -4.978 1.00 0.32 S ATOM 0 H CYS A 66 -4.247 -4.002 -1.987 1.00 0.32 H new ATOM 0 HA CYS A 66 -2.099 -4.174 -3.874 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -3.086 -3.282 -5.792 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.236 -4.504 -5.285 1.00 0.35 H new ATOM 956 N PRO A 67 -1.820 -1.557 -3.559 1.00 0.35 N ATOM 957 CA PRO A 67 -1.448 -0.247 -2.995 1.00 0.37 C ATOM 958 C PRO A 67 -2.483 0.862 -3.232 1.00 0.37 C ATOM 959 O PRO A 67 -2.167 2.044 -3.084 1.00 0.46 O ATOM 960 CB PRO A 67 -0.137 0.106 -3.721 1.00 0.41 C ATOM 961 CG PRO A 67 0.319 -1.168 -4.343 1.00 0.42 C ATOM 962 CD PRO A 67 -0.940 -1.916 -4.683 1.00 0.38 C ATOM 0 HA PRO A 67 -1.367 -0.315 -1.910 1.00 0.37 H new ATOM 0 HB2 PRO A 67 -0.299 0.876 -4.475 1.00 0.41 H new ATOM 0 HB3 PRO A 67 0.607 0.493 -3.025 1.00 0.41 H new ATOM 0 HG2 PRO A 67 0.917 -0.979 -5.234 1.00 0.42 H new ATOM 0 HG3 PRO A 67 0.943 -1.740 -3.656 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.354 -1.604 -5.642 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.772 -2.991 -4.743 1.00 0.38 H new ATOM 970 N SER A 68 -3.703 0.497 -3.607 1.00 0.33 N ATOM 971 CA SER A 68 -4.771 1.481 -3.760 1.00 0.33 C ATOM 972 C SER A 68 -5.348 1.862 -2.399 1.00 0.27 C ATOM 973 O SER A 68 -6.328 1.276 -1.934 1.00 0.40 O ATOM 974 CB SER A 68 -5.884 0.950 -4.666 1.00 0.37 C ATOM 975 OG SER A 68 -5.389 0.626 -5.952 1.00 0.46 O ATOM 0 H SER A 68 -3.977 -0.464 -3.810 1.00 0.33 H new ATOM 0 HA SER A 68 -4.341 2.368 -4.225 1.00 0.33 H new ATOM 0 HB2 SER A 68 -6.334 0.066 -4.214 1.00 0.37 H new ATOM 0 HB3 SER A 68 -6.672 1.698 -4.755 1.00 0.37 H new ATOM 0 HG SER A 68 -6.028 0.923 -6.633 1.00 0.46 H new ATOM 981 N SER A 69 -4.715 2.824 -1.761 1.00 0.21 N ATOM 982 CA SER A 69 -5.173 3.336 -0.483 1.00 0.17 C ATOM 983 C SER A 69 -5.997 4.606 -0.687 1.00 0.16 C ATOM 984 O SER A 69 -5.762 5.355 -1.637 1.00 0.18 O ATOM 985 CB SER A 69 -3.957 3.607 0.401 1.00 0.24 C ATOM 986 OG SER A 69 -2.833 3.944 -0.396 1.00 0.38 O ATOM 0 H SER A 69 -3.869 3.274 -2.112 1.00 0.21 H new ATOM 0 HA SER A 69 -5.814 2.602 0.005 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.177 4.419 1.094 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.733 2.726 1.003 1.00 0.24 H new ATOM 0 HG SER A 69 -2.653 4.904 -0.318 1.00 0.38 H new ATOM 992 N PHE A 70 -6.966 4.853 0.190 1.00 0.15 N ATOM 993 CA PHE A 70 -7.854 5.997 0.029 1.00 0.15 C ATOM 994 C PHE A 70 -8.085 6.703 1.359 1.00 0.16 C ATOM 995 O PHE A 70 -8.016 6.089 2.427 1.00 0.18 O ATOM 996 CB PHE A 70 -9.201 5.556 -0.553 1.00 0.16 C ATOM 997 CG PHE A 70 -9.100 4.844 -1.873 1.00 0.18 C ATOM 998 CD1 PHE A 70 -8.735 5.534 -3.017 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.370 3.489 -1.969 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -8.642 4.887 -4.234 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.278 2.835 -3.184 1.00 0.24 C ATOM 1002 CZ PHE A 70 -8.912 3.520 -4.310 1.00 0.25 C ATOM 0 H PHE A 70 -7.154 4.281 1.013 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.373 6.692 -0.659 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.696 4.900 0.163 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.836 6.433 -0.674 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -8.520 6.591 -2.957 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.655 2.937 -1.086 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.362 5.436 -5.121 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.496 1.779 -3.244 1.00 0.24 H new ATOM 0 HZ PHE A 70 -8.832 3.004 -5.255 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.352 8.000 1.280 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.645 8.808 2.458 1.00 0.22 C ATOM 1014 C CYS A 71 -10.077 8.560 2.927 1.00 0.23 C ATOM 1015 O CYS A 71 -10.811 7.818 2.280 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.452 10.289 2.128 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.640 10.926 0.926 1.00 0.26 S ATOM 0 H CYS A 71 -8.372 8.520 0.403 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.962 8.526 3.259 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.531 10.870 3.047 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.443 10.438 1.743 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.471 9.186 4.032 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.826 9.032 4.564 1.00 0.33 C ATOM 1024 C LYS A 72 -12.875 9.329 3.496 1.00 0.34 C ATOM 1025 O LYS A 72 -13.862 8.606 3.355 1.00 0.38 O ATOM 1026 CB LYS A 72 -12.043 9.965 5.755 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.182 9.641 6.961 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.423 10.632 8.086 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.567 10.315 9.298 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.752 11.314 10.384 1.00 1.23 N ATOM 0 H LYS A 72 -9.873 9.806 4.578 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.936 7.997 4.887 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.840 10.989 5.442 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -13.092 9.923 6.049 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.402 8.631 7.308 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -10.130 9.658 6.676 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -11.203 11.641 7.737 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.476 10.615 8.368 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.819 9.322 9.671 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.518 10.288 9.004 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -10.150 11.062 11.194 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -10.487 12.258 10.036 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.748 11.322 10.682 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.629 10.381 2.728 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.579 10.853 1.735 1.00 0.36 C ATOM 1046 C GLN A 73 -13.646 9.914 0.533 1.00 0.31 C ATOM 1047 O GLN A 73 -14.729 9.520 0.099 1.00 0.38 O ATOM 1048 CB GLN A 73 -13.183 12.257 1.277 1.00 0.41 C ATOM 1049 CG GLN A 73 -14.222 12.935 0.401 1.00 1.17 C ATOM 1050 CD GLN A 73 -13.801 14.326 -0.043 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -14.640 15.207 -0.234 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -12.504 14.537 -0.219 1.00 2.20 N ATOM 0 H GLN A 73 -11.769 10.928 2.776 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.567 10.878 2.194 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -13.002 12.877 2.155 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -12.243 12.198 0.729 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -14.407 12.318 -0.479 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -15.163 13.002 0.947 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -11.837 13.783 -0.051 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -12.173 15.453 -0.522 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.485 9.537 0.015 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.422 8.797 -1.244 1.00 0.21 C ATOM 1063 C HIS A 74 -12.442 7.288 -1.037 1.00 0.19 C ATOM 1064 O HIS A 74 -12.313 6.534 -1.996 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.180 9.198 -2.049 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.200 10.631 -2.472 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.054 11.391 -2.527 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.258 11.392 -2.827 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.451 12.597 -2.907 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -11.777 12.640 -3.102 1.00 0.34 N ATOM 0 H HIS A 74 -11.578 9.728 0.441 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.318 9.062 -1.805 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.289 9.014 -1.449 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.106 8.564 -2.933 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.289 11.074 -2.883 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -9.789 13.440 -3.043 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.322 13.450 -3.399 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.597 6.844 0.201 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.678 5.415 0.468 1.00 0.20 C ATOM 1080 C ARG A 75 -14.108 4.922 0.310 1.00 0.23 C ATOM 1081 O ARG A 75 -14.340 3.749 0.007 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.144 5.073 1.860 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.022 5.535 3.006 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.364 5.221 4.338 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.248 5.464 5.476 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.300 4.677 6.550 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.541 3.590 6.615 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -14.117 4.970 7.552 1.00 0.92 N ATOM 0 H ARG A 75 -12.668 7.441 1.025 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.050 4.906 -0.263 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.017 3.993 1.930 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.156 5.518 1.975 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.201 6.607 2.926 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -13.994 5.044 2.949 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.048 4.178 4.345 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.465 5.827 4.446 1.00 0.39 H new ATOM 0 HE ARG A 75 -13.859 6.281 5.447 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.917 3.357 5.842 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.581 2.988 7.438 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.708 5.800 7.502 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -14.155 4.366 8.373 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.065 5.824 0.491 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.467 5.475 0.339 1.00 0.34 C ATOM 1104 C GLU A 76 -16.763 5.139 -1.116 1.00 0.32 C ATOM 1105 O GLU A 76 -16.504 5.945 -2.011 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.363 6.621 0.809 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.328 6.850 2.313 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.282 7.938 2.762 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.441 7.618 3.096 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -17.880 9.122 2.784 1.00 1.65 O ATOM 0 H GLU A 76 -14.894 6.798 0.742 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.677 4.602 0.956 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.059 7.538 0.304 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.390 6.415 0.506 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.578 5.920 2.824 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.314 7.115 2.612 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.286 3.943 -1.349 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.580 3.514 -2.701 1.00 0.42 C ATOM 1119 C GLY A 77 -16.376 2.922 -3.408 1.00 0.40 C ATOM 1120 O GLY A 77 -16.517 2.293 -4.457 1.00 0.58 O ATOM 0 H GLY A 77 -17.512 3.262 -0.624 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.380 2.774 -2.676 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -17.950 4.364 -3.274 1.00 0.42 H new ATOM 1124 N MET A 78 -15.192 3.107 -2.839 1.00 0.29 N ATOM 1125 CA MET A 78 -13.965 2.620 -3.465 1.00 0.27 C ATOM 1126 C MET A 78 -13.374 1.432 -2.711 1.00 0.24 C ATOM 1127 O MET A 78 -12.865 0.494 -3.325 1.00 0.28 O ATOM 1128 CB MET A 78 -12.922 3.740 -3.561 1.00 0.29 C ATOM 1129 CG MET A 78 -13.333 4.891 -4.473 1.00 0.35 C ATOM 1130 SD MET A 78 -13.546 4.368 -6.185 1.00 0.58 S ATOM 1131 CE MET A 78 -14.018 5.916 -6.951 1.00 1.51 C ATOM 0 H MET A 78 -15.053 3.588 -1.950 1.00 0.29 H new ATOM 0 HA MET A 78 -14.231 2.287 -4.468 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.731 4.132 -2.562 1.00 0.29 H new ATOM 0 HB3 MET A 78 -11.984 3.319 -3.923 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.265 5.324 -4.110 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.578 5.675 -4.427 1.00 0.35 H new ATOM 0 HE1 MET A 78 -14.186 5.758 -8.016 1.00 1.51 H new ATOM 0 HE2 MET A 78 -14.934 6.286 -6.490 1.00 1.51 H new ATOM 0 HE3 MET A 78 -13.222 6.648 -6.814 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.426 1.473 -1.387 1.00 0.24 N ATOM 1142 CA LEU A 79 -12.869 0.398 -0.580 1.00 0.22 C ATOM 1143 C LEU A 79 -13.940 -0.175 0.344 1.00 0.25 C ATOM 1144 O LEU A 79 -14.775 0.565 0.869 1.00 0.32 O ATOM 1145 CB LEU A 79 -11.691 0.939 0.238 1.00 0.24 C ATOM 1146 CG LEU A 79 -10.792 -0.108 0.901 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.111 -0.979 -0.138 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -9.752 0.575 1.762 1.00 0.27 C ATOM 0 H LEU A 79 -13.845 2.234 -0.852 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.516 -0.401 -1.232 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.074 1.556 -0.416 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.085 1.594 1.015 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.417 -0.747 1.526 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.479 -1.714 0.361 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.866 -1.494 -0.732 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.498 -0.356 -0.790 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.117 -0.177 2.230 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.141 1.232 1.143 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.248 1.163 2.534 1.00 0.27 H new ATOM 1160 N PHE A 80 -13.922 -1.489 0.520 1.00 0.24 N ATOM 1161 CA PHE A 80 -14.864 -2.168 1.398 1.00 0.31 C ATOM 1162 C PHE A 80 -14.225 -3.424 1.986 1.00 0.31 C ATOM 1163 O PHE A 80 -13.177 -3.870 1.521 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.151 -2.521 0.633 1.00 0.37 C ATOM 1165 CG PHE A 80 -15.924 -3.261 -0.662 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.887 -2.583 -1.873 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -15.736 -4.637 -0.667 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.669 -3.259 -3.057 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.520 -5.315 -1.849 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.526 -4.623 -3.054 1.00 0.45 C ATOM 0 H PHE A 80 -13.257 -2.112 0.061 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.126 -1.498 2.217 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -16.787 -3.128 1.277 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.697 -1.602 0.421 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -16.031 -1.513 -1.889 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -15.759 -5.182 0.265 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -15.611 -2.713 -3.987 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.347 -6.381 -1.838 1.00 0.46 H new ATOM 0 HZ PHE A 80 -15.418 -5.158 -3.986 1.00 0.45 H new ATOM 1180 N ILE A 81 -14.849 -3.984 3.012 1.00 0.38 N ATOM 1181 CA ILE A 81 -14.369 -5.221 3.613 1.00 0.38 C ATOM 1182 C ILE A 81 -14.807 -6.425 2.787 1.00 0.42 C ATOM 1183 O ILE A 81 -15.984 -6.564 2.447 1.00 0.47 O ATOM 1184 CB ILE A 81 -14.870 -5.382 5.067 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -14.183 -4.374 5.991 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -14.635 -6.799 5.571 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -12.706 -4.638 6.195 1.00 0.44 C ATOM 0 H ILE A 81 -15.689 -3.602 3.446 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.280 -5.169 3.629 1.00 0.38 H new ATOM 0 HB ILE A 81 -15.943 -5.188 5.073 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -14.310 -3.373 5.579 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -14.682 -4.385 6.960 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -14.996 -6.885 6.596 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.171 -7.505 4.937 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -13.569 -7.023 5.542 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -12.290 -3.882 6.861 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -12.570 -5.625 6.637 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -12.193 -4.597 5.234 1.00 0.44 H new ATOM 1199 N SER A 82 -13.849 -7.277 2.454 1.00 0.41 N ATOM 1200 CA SER A 82 -14.127 -8.514 1.747 1.00 0.47 C ATOM 1201 C SER A 82 -14.958 -9.435 2.622 1.00 0.54 C ATOM 1202 O SER A 82 -14.555 -9.780 3.729 1.00 0.61 O ATOM 1203 CB SER A 82 -12.814 -9.202 1.356 1.00 0.57 C ATOM 1204 OG SER A 82 -13.031 -10.528 0.900 1.00 0.79 O ATOM 0 H SER A 82 -12.862 -7.130 2.666 1.00 0.41 H new ATOM 0 HA SER A 82 -14.688 -8.286 0.841 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.320 -8.625 0.575 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.142 -9.218 2.214 1.00 0.57 H new ATOM 0 HG SER A 82 -12.203 -10.879 0.510 1.00 0.79 H new ATOM 1210 N LYS A 83 -16.116 -9.827 2.129 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.987 -10.722 2.870 1.00 0.80 C ATOM 1212 C LYS A 83 -16.401 -12.125 2.900 1.00 0.81 C ATOM 1213 O LYS A 83 -16.776 -12.952 3.732 1.00 0.91 O ATOM 1214 CB LYS A 83 -18.380 -10.731 2.248 1.00 0.98 C ATOM 1215 CG LYS A 83 -19.066 -9.379 2.318 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.395 -9.384 1.586 1.00 1.34 C ATOM 1217 CE LYS A 83 -21.072 -8.028 1.662 1.00 2.08 C ATOM 1218 NZ LYS A 83 -22.354 -8.005 0.913 1.00 2.62 N ATOM 0 H LYS A 83 -16.477 -9.541 1.219 1.00 0.65 H new ATOM 0 HA LYS A 83 -17.069 -10.365 3.897 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -18.305 -11.041 1.206 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.995 -11.472 2.758 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -19.226 -9.106 3.361 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.416 -8.618 1.886 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.237 -9.656 0.542 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -21.047 -10.143 2.018 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -21.257 -7.773 2.705 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -20.404 -7.266 1.261 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.784 -7.061 0.990 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -22.175 -8.223 -0.088 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -23.002 -8.714 1.312 1.00 2.62 H new ATOM 1232 N LEU A 84 -15.474 -12.381 1.986 1.00 0.76 N ATOM 1233 CA LEU A 84 -14.801 -13.664 1.910 1.00 0.81 C ATOM 1234 C LEU A 84 -13.587 -13.714 2.838 1.00 0.76 C ATOM 1235 O LEU A 84 -13.500 -14.576 3.714 1.00 0.81 O ATOM 1236 CB LEU A 84 -14.366 -13.932 0.470 1.00 0.90 C ATOM 1237 CG LEU A 84 -15.500 -13.987 -0.558 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -14.940 -14.161 -1.960 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -16.472 -15.112 -0.231 1.00 1.25 C ATOM 0 H LEU A 84 -15.171 -11.708 1.282 1.00 0.76 H new ATOM 0 HA LEU A 84 -15.501 -14.434 2.232 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -13.663 -13.155 0.170 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -13.826 -14.878 0.441 1.00 0.90 H new ATOM 0 HG LEU A 84 -16.043 -13.043 -0.516 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -15.760 -14.198 -2.677 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -14.287 -13.321 -2.198 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -14.370 -15.089 -2.012 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -17.269 -15.132 -0.974 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -15.943 -16.065 -0.241 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -16.902 -14.946 0.757 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.663 -12.774 2.664 1.00 0.72 N ATOM 1252 CA ASP A 85 -11.387 -12.819 3.384 1.00 0.75 C ATOM 1253 C ASP A 85 -11.379 -11.907 4.602 1.00 0.66 C ATOM 1254 O ASP A 85 -10.557 -12.067 5.502 1.00 0.70 O ATOM 1255 CB ASP A 85 -10.220 -12.431 2.469 1.00 0.85 C ATOM 1256 CG ASP A 85 -10.011 -13.401 1.327 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -10.175 -12.994 0.159 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -9.704 -14.583 1.593 1.00 1.42 O ATOM 0 H ASP A 85 -12.769 -11.977 2.037 1.00 0.72 H new ATOM 0 HA ASP A 85 -11.266 -13.849 3.719 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -10.400 -11.435 2.063 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -9.306 -12.374 3.061 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.282 -10.939 4.622 1.00 0.59 N ATOM 1264 CA GLY A 86 -12.305 -9.962 5.696 1.00 0.56 C ATOM 1265 C GLY A 86 -11.302 -8.849 5.470 1.00 0.48 C ATOM 1266 O GLY A 86 -11.185 -7.928 6.278 1.00 0.50 O ATOM 0 H GLY A 86 -13.003 -10.810 3.912 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -13.306 -9.538 5.779 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -12.090 -10.458 6.642 1.00 0.56 H new ATOM 1270 N ARG A 87 -10.583 -8.940 4.361 1.00 0.43 N ATOM 1271 CA ARG A 87 -9.570 -7.959 4.010 1.00 0.39 C ATOM 1272 C ARG A 87 -10.208 -6.766 3.319 1.00 0.33 C ATOM 1273 O ARG A 87 -11.213 -6.911 2.628 1.00 0.36 O ATOM 1274 CB ARG A 87 -8.542 -8.586 3.069 1.00 0.46 C ATOM 1275 CG ARG A 87 -7.823 -9.794 3.647 1.00 0.58 C ATOM 1276 CD ARG A 87 -6.847 -10.375 2.640 1.00 0.96 C ATOM 1277 NE ARG A 87 -6.200 -11.593 3.127 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.784 -12.583 2.335 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -5.968 -12.511 1.021 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -5.192 -13.650 2.859 1.00 2.10 N ATOM 0 H ARG A 87 -10.686 -9.694 3.682 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.079 -7.628 4.925 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -9.043 -8.882 2.147 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -7.803 -7.831 2.802 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -7.289 -9.506 4.553 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -8.551 -10.553 3.934 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.375 -10.594 1.712 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.085 -9.631 2.406 1.00 0.96 H new ATOM 0 HE ARG A 87 -6.058 -11.692 4.132 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -6.429 -11.697 0.614 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -5.649 -13.270 0.419 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -5.055 -13.713 3.868 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -4.874 -14.406 2.253 1.00 2.10 H new ATOM 1294 N LEU A 88 -9.637 -5.591 3.515 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.077 -4.410 2.789 1.00 0.26 C ATOM 1296 C LEU A 88 -9.752 -4.564 1.308 1.00 0.24 C ATOM 1297 O LEU A 88 -8.586 -4.659 0.926 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.407 -3.154 3.343 1.00 0.27 C ATOM 1299 CG LEU A 88 -9.912 -2.689 4.707 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -8.878 -1.804 5.380 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.221 -1.930 4.553 1.00 0.44 C ATOM 0 H LEU A 88 -8.870 -5.428 4.168 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.155 -4.307 2.913 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.335 -3.336 3.414 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -9.546 -2.343 2.628 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.083 -3.567 5.330 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.253 -1.481 6.351 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -7.953 -2.364 5.516 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -8.685 -0.931 4.756 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -11.570 -1.604 5.533 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.064 -1.060 3.916 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -11.968 -2.582 4.100 1.00 0.44 H new ATOM 1313 N SER A 89 -10.783 -4.596 0.483 1.00 0.22 N ATOM 1314 CA SER A 89 -10.611 -4.817 -0.941 1.00 0.23 C ATOM 1315 C SER A 89 -11.242 -3.673 -1.729 1.00 0.21 C ATOM 1316 O SER A 89 -12.343 -3.222 -1.412 1.00 0.22 O ATOM 1317 CB SER A 89 -11.227 -6.157 -1.349 1.00 0.28 C ATOM 1318 OG SER A 89 -10.960 -6.454 -2.711 1.00 0.55 O ATOM 0 H SER A 89 -11.752 -4.471 0.777 1.00 0.22 H new ATOM 0 HA SER A 89 -9.545 -4.847 -1.167 1.00 0.23 H new ATOM 0 HB2 SER A 89 -10.828 -6.950 -0.717 1.00 0.28 H new ATOM 0 HB3 SER A 89 -12.304 -6.129 -1.185 1.00 0.28 H new ATOM 0 HG SER A 89 -10.474 -7.303 -2.772 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.521 -3.188 -2.730 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.972 -2.046 -3.513 1.00 0.24 C ATOM 1326 C CYS A 90 -11.802 -2.501 -4.712 1.00 0.27 C ATOM 1327 O CYS A 90 -11.842 -3.686 -5.047 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.769 -1.228 -3.995 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.818 -2.033 -5.300 1.00 0.28 S ATOM 0 H CYS A 90 -9.620 -3.568 -3.019 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.598 -1.423 -2.875 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -10.120 -0.262 -4.357 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -9.112 -1.031 -3.148 1.00 0.25 H new ATOM 1334 N THR A 91 -12.444 -1.538 -5.365 1.00 0.30 N ATOM 1335 CA THR A 91 -13.311 -1.802 -6.500 1.00 0.36 C ATOM 1336 C THR A 91 -12.529 -2.065 -7.784 1.00 0.43 C ATOM 1337 O THR A 91 -13.121 -2.315 -8.836 1.00 0.54 O ATOM 1338 CB THR A 91 -14.261 -0.617 -6.718 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.519 0.607 -6.645 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.363 -0.614 -5.675 1.00 0.38 C ATOM 0 H THR A 91 -12.375 -0.551 -5.119 1.00 0.30 H new ATOM 0 HA THR A 91 -13.877 -2.704 -6.267 1.00 0.36 H new ATOM 0 HB THR A 91 -14.720 -0.711 -7.702 1.00 0.39 H new ATOM 0 HG1 THR A 91 -14.124 1.365 -6.785 1.00 0.43 H new ATOM 0 HG21 THR A 91 -16.025 0.234 -5.848 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.933 -1.540 -5.746 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.923 -0.534 -4.681 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.202 -2.014 -7.701 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.353 -2.316 -8.848 1.00 0.52 C ATOM 1350 C GLU A 92 -10.103 -3.820 -8.930 1.00 0.51 C ATOM 1351 O GLU A 92 -9.275 -4.285 -9.713 1.00 0.63 O ATOM 1352 CB GLU A 92 -9.015 -1.564 -8.760 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.158 -0.048 -8.681 1.00 0.66 C ATOM 1354 CD GLU A 92 -7.839 0.678 -8.882 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -7.167 0.978 -7.873 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -7.458 0.941 -10.044 1.00 1.54 O ATOM 0 H GLU A 92 -10.693 -1.767 -6.852 1.00 0.43 H new ATOM 0 HA GLU A 92 -10.869 -1.986 -9.750 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.471 -1.913 -7.882 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.410 -1.816 -9.631 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -9.870 0.285 -9.436 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -9.573 0.223 -7.710 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.817 -4.571 -8.101 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.701 -6.023 -8.084 1.00 0.53 C ATOM 1365 C HIS A 93 -12.052 -6.654 -8.394 1.00 0.67 C ATOM 1366 O HIS A 93 -12.539 -7.513 -7.654 1.00 0.85 O ATOM 1367 CB HIS A 93 -10.211 -6.517 -6.718 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.924 -5.905 -6.256 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -7.994 -5.326 -7.087 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.428 -5.791 -5.003 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -6.985 -4.882 -6.325 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -7.199 -5.139 -5.049 1.00 0.32 N ATOM 0 H HIS A 93 -11.486 -4.196 -7.428 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.975 -6.315 -8.843 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -10.982 -6.313 -5.975 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -10.088 -7.599 -6.761 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -8.060 -5.248 -8.102 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.911 -6.150 -4.106 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -6.109 -4.378 -6.707 1.00 0.36 H new ATOM 1380 N ASP A 94 -12.662 -6.206 -9.476 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.952 -6.726 -9.901 1.00 1.02 C ATOM 1382 C ASP A 94 -14.002 -6.817 -11.416 1.00 1.33 C ATOM 1383 O ASP A 94 -13.839 -7.930 -11.950 1.00 1.92 O ATOM 1384 CB ASP A 94 -15.085 -5.840 -9.390 1.00 1.54 C ATOM 1385 CG ASP A 94 -16.451 -6.412 -9.714 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -16.852 -7.410 -9.080 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -17.132 -5.866 -10.610 1.00 2.65 O ATOM 1388 OXT ASP A 94 -14.154 -5.766 -12.071 1.00 1.91 O ATOM 0 H ASP A 94 -12.283 -5.478 -10.081 1.00 0.83 H new ATOM 0 HA ASP A 94 -14.079 -7.723 -9.480 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -14.991 -5.719 -8.311 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -14.995 -4.847 -9.831 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 7.305 -4.009 -7.079 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.009 2.623 5.265 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.641 11.157 -1.130 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -7.105 -3.255 -4.387 1.00 0.27 ZN