USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 THR OG1 : rot 112:sc= 0.00244 USER MOD Set 1.2: A 11 HIS : no HE2:sc= -0.229 K(o=-0.23,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.36 (180deg=-0.0768) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.737) USER MOD Single : A 30 ASN : amide:sc= -0.0482 K(o=-0.048,f=-0.67) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 179:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -170:sc= 0.0315 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 134:sc= 1.28 USER MOD Single : A 99 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.45) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.675 -11.137 19.681 1.00 0.04 N ATOM 2 CA MET A 1 5.902 -10.383 19.982 1.00 20.31 C ATOM 3 C MET A 1 7.119 -11.313 20.131 1.00 74.30 C ATOM 4 O MET A 1 7.777 -11.369 21.170 1.00 34.32 O ATOM 5 CB MET A 1 5.688 -9.418 21.164 1.00 11.23 C ATOM 6 CG MET A 1 5.389 -10.063 22.526 1.00 60.43 C ATOM 7 SD MET A 1 3.846 -11.003 22.640 1.00 31.24 S ATOM 8 CE MET A 1 4.291 -12.000 24.076 1.00 51.43 C ATOM 0 H1 MET A 1 4.043 -10.553 19.097 1.00 0.04 H new ATOM 0 H2 MET A 1 4.919 -12.006 19.165 1.00 0.04 H new ATOM 0 H3 MET A 1 4.194 -11.386 20.569 1.00 0.04 H new ATOM 0 HA MET A 1 6.138 -9.748 19.128 1.00 20.31 H new ATOM 0 HB2 MET A 1 6.580 -8.800 21.267 1.00 11.23 H new ATOM 0 HB3 MET A 1 4.864 -8.749 20.914 1.00 11.23 H new ATOM 0 HG2 MET A 1 6.215 -10.727 22.780 1.00 60.43 H new ATOM 0 HG3 MET A 1 5.369 -9.277 23.281 1.00 60.43 H new ATOM 0 HE1 MET A 1 3.465 -12.666 24.326 1.00 51.43 H new ATOM 0 HE2 MET A 1 5.178 -12.591 23.848 1.00 51.43 H new ATOM 0 HE3 MET A 1 4.499 -11.346 24.923 1.00 51.43 H new ATOM 16 N THR A 2 7.479 -12.039 19.072 1.00 55.43 N ATOM 17 CA THR A 2 8.796 -12.647 18.921 1.00 1.04 C ATOM 18 C THR A 2 9.032 -12.748 17.422 1.00 24.35 C ATOM 19 O THR A 2 8.173 -13.271 16.711 1.00 44.33 O ATOM 20 CB THR A 2 8.903 -14.003 19.652 1.00 20.35 C ATOM 21 OG1 THR A 2 10.231 -14.481 19.549 1.00 72.14 O ATOM 22 CG2 THR A 2 7.947 -15.109 19.194 1.00 41.10 C ATOM 0 H THR A 2 6.854 -12.222 18.287 1.00 55.43 H new ATOM 0 HA THR A 2 9.573 -12.043 19.389 1.00 1.04 H new ATOM 0 HB THR A 2 8.606 -13.783 20.677 1.00 20.35 H new ATOM 0 HG1 THR A 2 10.306 -15.341 20.013 1.00 72.14 H new ATOM 0 HG21 THR A 2 8.122 -16.009 19.784 1.00 41.10 H new ATOM 0 HG22 THR A 2 6.917 -14.780 19.331 1.00 41.10 H new ATOM 0 HG23 THR A 2 8.121 -15.327 18.140 1.00 41.10 H new ATOM 30 N THR A 3 10.134 -12.193 16.920 1.00 73.40 N ATOM 31 CA THR A 3 10.420 -12.196 15.497 1.00 21.22 C ATOM 32 C THR A 3 11.911 -11.936 15.297 1.00 2.01 C ATOM 33 O THR A 3 12.552 -11.254 16.106 1.00 24.12 O ATOM 34 CB THR A 3 9.525 -11.150 14.807 1.00 41.03 C ATOM 35 OG1 THR A 3 9.663 -11.228 13.407 1.00 71.23 O ATOM 36 CG2 THR A 3 9.808 -9.719 15.255 1.00 2.01 C ATOM 0 H THR A 3 10.845 -11.733 17.488 1.00 73.40 H new ATOM 0 HA THR A 3 10.195 -13.161 15.042 1.00 21.22 H new ATOM 0 HB THR A 3 8.504 -11.390 15.105 1.00 41.03 H new ATOM 0 HG1 THR A 3 8.827 -11.555 13.014 1.00 71.23 H new ATOM 0 HG21 THR A 3 9.142 -9.035 14.729 1.00 2.01 H new ATOM 0 HG22 THR A 3 9.641 -9.634 16.329 1.00 2.01 H new ATOM 0 HG23 THR A 3 10.843 -9.464 15.027 1.00 2.01 H new ATOM 44 N PHE A 4 12.465 -12.470 14.214 1.00 32.31 N ATOM 45 CA PHE A 4 13.890 -12.464 13.930 1.00 13.13 C ATOM 46 C PHE A 4 14.157 -12.309 12.427 1.00 34.41 C ATOM 47 O PHE A 4 15.280 -12.559 11.998 1.00 63.43 O ATOM 48 CB PHE A 4 14.549 -13.702 14.578 1.00 62.30 C ATOM 49 CG PHE A 4 13.776 -15.007 14.483 1.00 51.10 C ATOM 50 CD1 PHE A 4 13.944 -15.854 13.375 1.00 75.40 C ATOM 51 CD2 PHE A 4 12.888 -15.379 15.514 1.00 63.50 C ATOM 52 CE1 PHE A 4 13.236 -17.069 13.299 1.00 20.45 C ATOM 53 CE2 PHE A 4 12.162 -16.579 15.424 1.00 40.32 C ATOM 54 CZ PHE A 4 12.337 -17.426 14.316 1.00 52.21 C ATOM 0 H PHE A 4 11.916 -12.932 13.489 1.00 32.31 H new ATOM 0 HA PHE A 4 14.361 -11.591 14.382 1.00 13.13 H new ATOM 0 HB2 PHE A 4 15.526 -13.849 14.117 1.00 62.30 H new ATOM 0 HB3 PHE A 4 14.723 -13.484 15.632 1.00 62.30 H new ATOM 0 HD1 PHE A 4 14.618 -15.573 12.579 1.00 75.40 H new ATOM 0 HD2 PHE A 4 12.766 -14.739 16.376 1.00 63.50 H new ATOM 0 HE1 PHE A 4 13.385 -17.728 12.456 1.00 20.45 H new ATOM 0 HE2 PHE A 4 11.469 -16.851 16.207 1.00 40.32 H new ATOM 0 HZ PHE A 4 11.781 -18.349 14.247 1.00 52.21 H new ATOM 63 N ASP A 5 13.175 -11.824 11.649 1.00 20.32 N ATOM 64 CA ASP A 5 13.157 -11.835 10.176 1.00 15.43 C ATOM 65 C ASP A 5 13.156 -13.286 9.699 1.00 64.32 C ATOM 66 O ASP A 5 14.199 -13.908 9.504 1.00 23.52 O ATOM 67 CB ASP A 5 14.255 -10.948 9.547 1.00 42.01 C ATOM 68 CG ASP A 5 14.644 -11.354 8.124 1.00 24.55 C ATOM 69 OD1 ASP A 5 13.761 -11.505 7.245 1.00 12.41 O ATOM 70 OD2 ASP A 5 15.863 -11.508 7.868 1.00 54.31 O ATOM 0 H ASP A 5 12.338 -11.396 12.045 1.00 20.32 H new ATOM 0 HA ASP A 5 12.240 -11.367 9.820 1.00 15.43 H new ATOM 0 HB2 ASP A 5 13.911 -9.914 9.537 1.00 42.01 H new ATOM 0 HB3 ASP A 5 15.142 -10.983 10.179 1.00 42.01 H new ATOM 74 N ASP A 6 11.963 -13.859 9.557 1.00 62.31 N ATOM 75 CA ASP A 6 11.762 -15.271 9.254 1.00 54.04 C ATOM 76 C ASP A 6 10.516 -15.448 8.393 1.00 31.52 C ATOM 77 O ASP A 6 9.696 -14.535 8.266 1.00 62.31 O ATOM 78 CB ASP A 6 11.656 -16.083 10.553 1.00 1.12 C ATOM 79 CG ASP A 6 10.232 -16.176 11.105 1.00 73.20 C ATOM 80 OD1 ASP A 6 9.822 -15.269 11.866 1.00 55.12 O ATOM 81 OD2 ASP A 6 9.538 -17.153 10.748 1.00 71.40 O ATOM 0 H ASP A 6 11.090 -13.341 9.652 1.00 62.31 H new ATOM 0 HA ASP A 6 12.620 -15.642 8.693 1.00 54.04 H new ATOM 0 HB2 ASP A 6 12.033 -17.090 10.374 1.00 1.12 H new ATOM 0 HB3 ASP A 6 12.300 -15.631 11.307 1.00 1.12 H new ATOM 85 N ARG A 7 10.370 -16.628 7.789 1.00 51.10 N ATOM 86 CA ARG A 7 9.258 -16.959 6.907 1.00 71.41 C ATOM 87 C ARG A 7 8.568 -18.251 7.333 1.00 4.45 C ATOM 88 O ARG A 7 7.733 -18.758 6.585 1.00 1.15 O ATOM 89 CB ARG A 7 9.740 -16.975 5.447 1.00 43.31 C ATOM 90 CG ARG A 7 10.240 -15.586 5.024 1.00 40.34 C ATOM 91 CD ARG A 7 10.290 -15.441 3.499 1.00 31.34 C ATOM 92 NE ARG A 7 10.528 -14.045 3.089 1.00 34.11 N ATOM 93 CZ ARG A 7 11.704 -13.403 3.102 1.00 23.40 C ATOM 94 NH1 ARG A 7 12.808 -14.040 3.474 1.00 0.41 N ATOM 95 NH2 ARG A 7 11.763 -12.125 2.737 1.00 31.23 N ATOM 0 H ARG A 7 11.036 -17.392 7.903 1.00 51.10 H new ATOM 0 HA ARG A 7 8.493 -16.187 6.987 1.00 71.41 H new ATOM 0 HB2 ARG A 7 10.541 -17.706 5.331 1.00 43.31 H new ATOM 0 HB3 ARG A 7 8.926 -17.288 4.794 1.00 43.31 H new ATOM 0 HG2 ARG A 7 9.585 -14.821 5.441 1.00 40.34 H new ATOM 0 HG3 ARG A 7 11.234 -15.415 5.438 1.00 40.34 H new ATOM 0 HD2 ARG A 7 11.080 -16.077 3.099 1.00 31.34 H new ATOM 0 HD3 ARG A 7 9.351 -15.791 3.070 1.00 31.34 H new ATOM 0 HE ARG A 7 9.719 -13.516 2.764 1.00 34.11 H new ATOM 0 HH11 ARG A 7 12.762 -15.021 3.751 1.00 0.41 H new ATOM 0 HH12 ARG A 7 13.702 -13.549 3.483 1.00 0.41 H new ATOM 0 HH21 ARG A 7 10.915 -11.637 2.449 1.00 31.23 H new ATOM 0 HH22 ARG A 7 12.656 -11.633 2.746 1.00 31.23 H new ATOM 106 N GLU A 8 8.759 -18.710 8.567 1.00 14.21 N ATOM 107 CA GLU A 8 8.282 -19.997 9.049 1.00 54.13 C ATOM 108 C GLU A 8 7.095 -19.819 9.985 1.00 20.22 C ATOM 109 O GLU A 8 7.261 -19.524 11.165 1.00 11.43 O ATOM 110 CB GLU A 8 9.433 -20.768 9.702 1.00 63.34 C ATOM 111 CG GLU A 8 10.534 -21.142 8.702 1.00 33.42 C ATOM 112 CD GLU A 8 10.111 -22.129 7.607 1.00 63.42 C ATOM 113 OE1 GLU A 8 9.289 -21.767 6.730 1.00 3.35 O ATOM 114 OE2 GLU A 8 10.667 -23.249 7.592 1.00 35.51 O ATOM 0 H GLU A 8 9.264 -18.180 9.277 1.00 14.21 H new ATOM 0 HA GLU A 8 7.926 -20.589 8.206 1.00 54.13 H new ATOM 0 HB2 GLU A 8 9.863 -20.164 10.501 1.00 63.34 H new ATOM 0 HB3 GLU A 8 9.042 -21.675 10.163 1.00 63.34 H new ATOM 0 HG2 GLU A 8 10.897 -20.230 8.227 1.00 33.42 H new ATOM 0 HG3 GLU A 8 11.372 -21.571 9.252 1.00 33.42 H new ATOM 119 N ARG A 9 5.879 -20.014 9.463 1.00 54.33 N ATOM 120 CA ARG A 9 4.623 -19.878 10.216 1.00 21.15 C ATOM 121 C ARG A 9 4.553 -18.589 11.034 1.00 32.33 C ATOM 122 O ARG A 9 4.254 -18.607 12.230 1.00 62.32 O ATOM 123 CB ARG A 9 4.395 -21.105 11.114 1.00 63.23 C ATOM 124 CG ARG A 9 4.256 -22.457 10.395 1.00 54.02 C ATOM 125 CD ARG A 9 3.308 -22.388 9.190 1.00 21.42 C ATOM 126 NE ARG A 9 2.440 -23.562 9.076 1.00 64.24 N ATOM 127 CZ ARG A 9 1.696 -23.852 8.004 1.00 32.43 C ATOM 128 NH1 ARG A 9 1.946 -23.314 6.815 1.00 15.05 N ATOM 129 NH2 ARG A 9 0.670 -24.683 8.111 1.00 54.40 N ATOM 0 H ARG A 9 5.735 -20.276 8.488 1.00 54.33 H new ATOM 0 HA ARG A 9 3.822 -19.821 9.479 1.00 21.15 H new ATOM 0 HB2 ARG A 9 5.226 -21.174 11.816 1.00 63.23 H new ATOM 0 HB3 ARG A 9 3.493 -20.936 11.703 1.00 63.23 H new ATOM 0 HG2 ARG A 9 5.239 -22.790 10.061 1.00 54.02 H new ATOM 0 HG3 ARG A 9 3.889 -23.203 11.100 1.00 54.02 H new ATOM 0 HD2 ARG A 9 2.691 -21.493 9.271 1.00 21.42 H new ATOM 0 HD3 ARG A 9 3.896 -22.288 8.278 1.00 21.42 H new ATOM 0 HE ARG A 9 2.400 -24.202 9.869 1.00 64.24 H new ATOM 0 HH11 ARG A 9 2.722 -22.662 6.703 1.00 15.05 H new ATOM 0 HH12 ARG A 9 1.362 -23.553 6.014 1.00 15.05 H new ATOM 0 HH21 ARG A 9 0.446 -25.103 9.013 1.00 54.40 H new ATOM 0 HH22 ARG A 9 0.104 -24.903 7.291 1.00 54.40 H new ATOM 140 N ALA A 10 4.841 -17.464 10.389 1.00 60.42 N ATOM 141 CA ALA A 10 5.151 -16.220 11.063 1.00 73.40 C ATOM 142 C ALA A 10 4.529 -15.019 10.349 1.00 73.24 C ATOM 143 O ALA A 10 3.817 -14.232 10.969 1.00 11.11 O ATOM 144 CB ALA A 10 6.669 -16.077 11.133 1.00 23.35 C ATOM 0 H ALA A 10 4.865 -17.395 9.372 1.00 60.42 H new ATOM 0 HA ALA A 10 4.727 -16.243 12.067 1.00 73.40 H new ATOM 0 HB1 ALA A 10 6.924 -15.145 11.638 1.00 23.35 H new ATOM 0 HB2 ALA A 10 7.088 -16.916 11.688 1.00 23.35 H new ATOM 0 HB3 ALA A 10 7.080 -16.067 10.124 1.00 23.35 H new ATOM 150 N HIS A 11 4.782 -14.888 9.043 1.00 43.31 N ATOM 151 CA HIS A 11 4.352 -13.764 8.210 1.00 20.51 C ATOM 152 C HIS A 11 3.753 -14.226 6.887 1.00 23.45 C ATOM 153 O HIS A 11 3.060 -13.455 6.229 1.00 52.23 O ATOM 154 CB HIS A 11 5.542 -12.838 7.907 1.00 42.44 C ATOM 155 CG HIS A 11 6.301 -12.328 9.109 1.00 2.25 C ATOM 156 ND1 HIS A 11 6.214 -11.071 9.667 1.00 43.03 N ATOM 157 CD2 HIS A 11 7.275 -13.004 9.793 1.00 61.51 C ATOM 158 CE1 HIS A 11 7.074 -11.014 10.695 1.00 1.02 C ATOM 159 NE2 HIS A 11 7.730 -12.175 10.820 1.00 0.04 N ATOM 0 H HIS A 11 5.310 -15.587 8.520 1.00 43.31 H new ATOM 0 HA HIS A 11 3.586 -13.231 8.773 1.00 20.51 H new ATOM 0 HB2 HIS A 11 6.239 -13.372 7.261 1.00 42.44 H new ATOM 0 HB3 HIS A 11 5.176 -11.981 7.341 1.00 42.44 H new ATOM 0 HD1 HIS A 11 5.603 -10.317 9.354 1.00 43.03 H new ATOM 0 HD2 HIS A 11 7.629 -14.001 9.577 1.00 61.51 H new ATOM 0 HE1 HIS A 11 7.217 -10.154 11.332 1.00 1.02 H new ATOM 166 N GLU A 12 4.024 -15.462 6.481 1.00 40.23 N ATOM 167 CA GLU A 12 3.568 -16.023 5.220 1.00 42.40 C ATOM 168 C GLU A 12 2.264 -16.767 5.457 1.00 4.12 C ATOM 169 O GLU A 12 1.251 -16.382 4.886 1.00 75.43 O ATOM 170 CB GLU A 12 4.648 -16.906 4.590 1.00 12.02 C ATOM 171 CG GLU A 12 5.915 -16.092 4.276 1.00 74.11 C ATOM 172 CD GLU A 12 6.612 -16.585 3.010 1.00 12.33 C ATOM 173 OE1 GLU A 12 6.842 -17.806 2.875 1.00 2.14 O ATOM 174 OE2 GLU A 12 6.885 -15.734 2.128 1.00 21.30 O ATOM 0 H GLU A 12 4.580 -16.114 7.034 1.00 40.23 H new ATOM 0 HA GLU A 12 3.379 -15.225 4.502 1.00 42.40 H new ATOM 0 HB2 GLU A 12 4.895 -17.723 5.268 1.00 12.02 H new ATOM 0 HB3 GLU A 12 4.265 -17.357 3.674 1.00 12.02 H new ATOM 0 HG2 GLU A 12 5.651 -15.041 4.159 1.00 74.11 H new ATOM 0 HG3 GLU A 12 6.605 -16.155 5.118 1.00 74.11 H new ATOM 179 N ALA A 13 2.246 -17.750 6.361 1.00 72.24 N ATOM 180 CA ALA A 13 1.046 -18.546 6.641 1.00 61.24 C ATOM 181 C ALA A 13 0.132 -17.937 7.718 1.00 40.21 C ATOM 182 O ALA A 13 -1.082 -18.101 7.648 1.00 75.12 O ATOM 183 CB ALA A 13 1.486 -19.944 7.076 1.00 2.02 C ATOM 0 H ALA A 13 3.058 -18.016 6.918 1.00 72.24 H new ATOM 0 HA ALA A 13 0.456 -18.574 5.725 1.00 61.24 H new ATOM 0 HB1 ALA A 13 0.607 -20.552 7.289 1.00 2.02 H new ATOM 0 HB2 ALA A 13 2.064 -20.409 6.277 1.00 2.02 H new ATOM 0 HB3 ALA A 13 2.101 -19.869 7.972 1.00 2.02 H new ATOM 189 N LYS A 14 0.710 -17.245 8.705 1.00 73.54 N ATOM 190 CA LYS A 14 0.095 -16.813 9.961 1.00 4.21 C ATOM 191 C LYS A 14 -1.294 -16.210 9.764 1.00 1.15 C ATOM 192 O LYS A 14 -2.299 -16.848 10.071 1.00 33.12 O ATOM 193 CB LYS A 14 1.076 -15.826 10.634 1.00 75.53 C ATOM 194 CG LYS A 14 0.873 -15.574 12.138 1.00 12.15 C ATOM 195 CD LYS A 14 1.754 -16.501 12.984 1.00 44.24 C ATOM 196 CE LYS A 14 1.889 -16.032 14.435 1.00 13.02 C ATOM 197 NZ LYS A 14 2.779 -16.927 15.206 1.00 13.32 N ATOM 0 H LYS A 14 1.685 -16.953 8.642 1.00 73.54 H new ATOM 0 HA LYS A 14 -0.075 -17.675 10.606 1.00 4.21 H new ATOM 0 HB2 LYS A 14 2.090 -16.197 10.484 1.00 75.53 H new ATOM 0 HB3 LYS A 14 1.007 -14.870 10.116 1.00 75.53 H new ATOM 0 HG2 LYS A 14 1.108 -14.535 12.369 1.00 12.15 H new ATOM 0 HG3 LYS A 14 -0.174 -15.729 12.396 1.00 12.15 H new ATOM 0 HD2 LYS A 14 1.333 -17.507 12.970 1.00 44.24 H new ATOM 0 HD3 LYS A 14 2.745 -16.563 12.534 1.00 44.24 H new ATOM 0 HE2 LYS A 14 2.283 -15.016 14.456 1.00 13.02 H new ATOM 0 HE3 LYS A 14 0.905 -16.002 14.903 1.00 13.02 H new ATOM 0 HZ1 LYS A 14 2.852 -16.585 16.185 1.00 13.32 H new ATOM 0 HZ2 LYS A 14 2.388 -17.891 15.204 1.00 13.32 H new ATOM 0 HZ3 LYS A 14 3.724 -16.936 14.771 1.00 13.32 H new ATOM 207 N PHE A 15 -1.342 -14.986 9.254 1.00 61.22 N ATOM 208 CA PHE A 15 -2.575 -14.288 8.962 1.00 53.20 C ATOM 209 C PHE A 15 -3.234 -14.977 7.757 1.00 42.44 C ATOM 210 O PHE A 15 -4.451 -15.159 7.729 1.00 33.34 O ATOM 211 CB PHE A 15 -2.240 -12.790 8.780 1.00 0.32 C ATOM 212 CG PHE A 15 -1.635 -12.425 7.445 1.00 72.21 C ATOM 213 CD1 PHE A 15 -2.447 -12.463 6.300 1.00 40.22 C ATOM 214 CD2 PHE A 15 -0.262 -12.146 7.327 1.00 41.24 C ATOM 215 CE1 PHE A 15 -1.876 -12.324 5.025 1.00 11.54 C ATOM 216 CE2 PHE A 15 0.297 -11.945 6.050 1.00 11.32 C ATOM 217 CZ PHE A 15 -0.497 -12.078 4.899 1.00 3.34 C ATOM 0 H PHE A 15 -0.506 -14.446 9.030 1.00 61.22 H new ATOM 0 HA PHE A 15 -3.310 -14.332 9.766 1.00 53.20 H new ATOM 0 HB2 PHE A 15 -3.153 -12.210 8.918 1.00 0.32 H new ATOM 0 HB3 PHE A 15 -1.550 -12.490 9.568 1.00 0.32 H new ATOM 0 HD1 PHE A 15 -3.514 -12.600 6.400 1.00 40.22 H new ATOM 0 HD2 PHE A 15 0.359 -12.086 8.209 1.00 41.24 H new ATOM 0 HE1 PHE A 15 -2.494 -12.406 4.143 1.00 11.54 H new ATOM 0 HE2 PHE A 15 1.342 -11.687 5.955 1.00 11.32 H new ATOM 0 HZ PHE A 15 -0.050 -11.992 3.920 1.00 3.34 H new ATOM 226 N ALA A 16 -2.437 -15.366 6.754 1.00 15.25 N ATOM 227 CA ALA A 16 -2.902 -15.666 5.402 1.00 1.24 C ATOM 228 C ALA A 16 -3.730 -16.936 5.303 1.00 53.53 C ATOM 229 O ALA A 16 -4.304 -17.199 4.247 1.00 20.02 O ATOM 230 CB ALA A 16 -1.705 -15.843 4.476 1.00 13.25 C ATOM 0 H ALA A 16 -1.430 -15.482 6.866 1.00 15.25 H new ATOM 0 HA ALA A 16 -3.532 -14.824 5.117 1.00 1.24 H new ATOM 0 HB1 ALA A 16 -2.055 -16.067 3.468 1.00 13.25 H new ATOM 0 HB2 ALA A 16 -1.118 -14.925 4.461 1.00 13.25 H new ATOM 0 HB3 ALA A 16 -1.085 -16.664 4.836 1.00 13.25 H new ATOM 236 N HIS A 17 -3.726 -17.753 6.351 1.00 34.13 N ATOM 237 CA HIS A 17 -4.596 -18.901 6.488 1.00 31.13 C ATOM 238 C HIS A 17 -6.067 -18.484 6.376 1.00 20.31 C ATOM 239 O HIS A 17 -6.863 -19.267 5.859 1.00 55.40 O ATOM 240 CB HIS A 17 -4.288 -19.580 7.830 1.00 14.25 C ATOM 241 CG HIS A 17 -3.481 -20.845 7.699 1.00 40.33 C ATOM 242 ND1 HIS A 17 -3.827 -22.078 8.201 1.00 44.11 N ATOM 243 CD2 HIS A 17 -2.267 -20.974 7.086 1.00 31.02 C ATOM 244 CE1 HIS A 17 -2.837 -22.934 7.911 1.00 23.03 C ATOM 245 NE2 HIS A 17 -1.843 -22.296 7.261 1.00 53.30 N ATOM 0 H HIS A 17 -3.099 -17.626 7.146 1.00 34.13 H new ATOM 0 HA HIS A 17 -4.416 -19.612 5.682 1.00 31.13 H new ATOM 0 HB2 HIS A 17 -3.747 -18.879 8.466 1.00 14.25 H new ATOM 0 HB3 HIS A 17 -5.227 -19.809 8.335 1.00 14.25 H new ATOM 0 HD2 HIS A 17 -1.732 -20.197 6.561 1.00 31.02 H new ATOM 0 HE1 HIS A 17 -2.836 -23.984 8.162 1.00 23.03 H new ATOM 0 HE2 HIS A 17 -0.956 -22.698 6.957 1.00 53.30 H new ATOM 252 N ASP A 18 -6.434 -17.267 6.807 1.00 33.25 N ATOM 253 CA ASP A 18 -7.795 -16.767 6.612 1.00 43.42 C ATOM 254 C ASP A 18 -8.084 -16.471 5.140 1.00 73.04 C ATOM 255 O ASP A 18 -7.187 -16.502 4.304 1.00 23.35 O ATOM 256 CB ASP A 18 -8.120 -15.556 7.476 1.00 44.33 C ATOM 257 CG ASP A 18 -9.540 -15.695 8.041 1.00 73.42 C ATOM 258 OD1 ASP A 18 -10.513 -15.702 7.248 1.00 0.31 O ATOM 259 OD2 ASP A 18 -9.658 -15.909 9.267 1.00 44.22 O ATOM 0 H ASP A 18 -5.810 -16.619 7.288 1.00 33.25 H new ATOM 0 HA ASP A 18 -8.452 -17.573 6.938 1.00 43.42 H new ATOM 0 HB2 ASP A 18 -7.400 -15.473 8.290 1.00 44.33 H new ATOM 0 HB3 ASP A 18 -8.040 -14.643 6.886 1.00 44.33 H new ATOM 263 N ALA A 19 -9.319 -16.103 4.816 1.00 64.22 N ATOM 264 CA ALA A 19 -9.609 -15.207 3.713 1.00 12.45 C ATOM 265 C ALA A 19 -9.381 -13.778 4.201 1.00 14.41 C ATOM 266 O ALA A 19 -8.455 -13.130 3.723 1.00 2.13 O ATOM 267 CB ALA A 19 -11.044 -15.442 3.235 1.00 73.30 C ATOM 0 H ALA A 19 -10.148 -16.422 5.317 1.00 64.22 H new ATOM 0 HA ALA A 19 -8.955 -15.390 2.860 1.00 12.45 H new ATOM 0 HB1 ALA A 19 -11.266 -14.770 2.406 1.00 73.30 H new ATOM 0 HB2 ALA A 19 -11.153 -16.475 2.904 1.00 73.30 H new ATOM 0 HB3 ALA A 19 -11.737 -15.248 4.054 1.00 73.30 H new ATOM 273 N GLU A 20 -10.147 -13.307 5.195 1.00 11.23 N ATOM 274 CA GLU A 20 -10.263 -11.873 5.531 1.00 43.24 C ATOM 275 C GLU A 20 -8.920 -11.219 5.861 1.00 12.12 C ATOM 276 O GLU A 20 -8.673 -10.051 5.555 1.00 42.14 O ATOM 277 CB GLU A 20 -11.229 -11.612 6.702 1.00 51.42 C ATOM 278 CG GLU A 20 -11.048 -12.544 7.916 1.00 23.41 C ATOM 279 CD GLU A 20 -11.320 -11.895 9.276 1.00 11.24 C ATOM 280 OE1 GLU A 20 -10.937 -10.720 9.495 1.00 73.13 O ATOM 281 OE2 GLU A 20 -11.787 -12.601 10.199 1.00 33.05 O ATOM 0 H GLU A 20 -10.709 -13.911 5.795 1.00 11.23 H new ATOM 0 HA GLU A 20 -10.662 -11.420 4.624 1.00 43.24 H new ATOM 0 HB2 GLU A 20 -11.105 -10.581 7.033 1.00 51.42 H new ATOM 0 HB3 GLU A 20 -12.252 -11.709 6.338 1.00 51.42 H new ATOM 0 HG2 GLU A 20 -11.712 -13.401 7.800 1.00 23.41 H new ATOM 0 HG3 GLU A 20 -10.028 -12.928 7.911 1.00 23.41 H new ATOM 286 N LEU A 21 -8.007 -11.974 6.466 1.00 54.31 N ATOM 287 CA LEU A 21 -6.716 -11.495 6.897 1.00 62.01 C ATOM 288 C LEU A 21 -5.790 -11.247 5.692 1.00 61.04 C ATOM 289 O LEU A 21 -4.698 -10.724 5.876 1.00 60.00 O ATOM 290 CB LEU A 21 -6.130 -12.549 7.873 1.00 24.21 C ATOM 291 CG LEU A 21 -6.449 -12.435 9.381 1.00 15.25 C ATOM 292 CD1 LEU A 21 -5.973 -11.121 10.003 1.00 24.01 C ATOM 293 CD2 LEU A 21 -7.929 -12.574 9.721 1.00 43.40 C ATOM 0 H LEU A 21 -8.158 -12.962 6.671 1.00 54.31 H new ATOM 0 HA LEU A 21 -6.811 -10.536 7.407 1.00 62.01 H new ATOM 0 HB2 LEU A 21 -6.468 -13.530 7.539 1.00 24.21 H new ATOM 0 HB3 LEU A 21 -5.046 -12.531 7.764 1.00 24.21 H new ATOM 0 HG LEU A 21 -5.899 -13.277 9.801 1.00 15.25 H new ATOM 0 HD11 LEU A 21 -6.229 -11.106 11.063 1.00 24.01 H new ATOM 0 HD12 LEU A 21 -4.892 -11.035 9.889 1.00 24.01 H new ATOM 0 HD13 LEU A 21 -6.458 -10.284 9.501 1.00 24.01 H new ATOM 0 HD21 LEU A 21 -8.065 -12.482 10.799 1.00 43.40 H new ATOM 0 HD22 LEU A 21 -8.494 -11.790 9.216 1.00 43.40 H new ATOM 0 HD23 LEU A 21 -8.288 -13.549 9.392 1.00 43.40 H new ATOM 304 N ASN A 22 -6.200 -11.572 4.465 1.00 33.21 N ATOM 305 CA ASN A 22 -5.516 -11.198 3.226 1.00 33.01 C ATOM 306 C ASN A 22 -6.089 -9.891 2.665 1.00 21.14 C ATOM 307 O ASN A 22 -5.359 -9.124 2.037 1.00 34.44 O ATOM 308 CB ASN A 22 -5.644 -12.324 2.180 1.00 71.04 C ATOM 309 CG ASN A 22 -4.933 -13.597 2.612 1.00 40.53 C ATOM 310 OD1 ASN A 22 -3.764 -13.817 2.298 1.00 22.24 O ATOM 311 ND2 ASN A 22 -5.638 -14.435 3.350 1.00 61.12 N ATOM 0 H ASN A 22 -7.044 -12.120 4.301 1.00 33.21 H new ATOM 0 HA ASN A 22 -4.461 -11.046 3.452 1.00 33.01 H new ATOM 0 HB2 ASN A 22 -6.699 -12.540 2.009 1.00 71.04 H new ATOM 0 HB3 ASN A 22 -5.230 -11.984 1.231 1.00 71.04 H new ATOM 0 HD21 ASN A 22 -5.215 -15.302 3.682 1.00 61.12 H new ATOM 0 HD22 ASN A 22 -6.605 -14.215 3.588 1.00 61.12 H new ATOM 317 N PHE A 23 -7.369 -9.590 2.912 1.00 24.24 N ATOM 318 CA PHE A 23 -8.026 -8.391 2.388 1.00 22.21 C ATOM 319 C PHE A 23 -7.458 -7.146 3.066 1.00 44.14 C ATOM 320 O PHE A 23 -7.265 -6.111 2.427 1.00 42.53 O ATOM 321 CB PHE A 23 -9.547 -8.460 2.598 1.00 63.24 C ATOM 322 CG PHE A 23 -10.282 -9.417 1.675 1.00 61.12 C ATOM 323 CD1 PHE A 23 -10.146 -10.806 1.837 1.00 35.21 C ATOM 324 CD2 PHE A 23 -11.116 -8.920 0.653 1.00 13.54 C ATOM 325 CE1 PHE A 23 -10.831 -11.692 0.988 1.00 23.04 C ATOM 326 CE2 PHE A 23 -11.824 -9.805 -0.181 1.00 1.22 C ATOM 327 CZ PHE A 23 -11.680 -11.191 -0.014 1.00 34.13 C ATOM 0 H PHE A 23 -7.979 -10.175 3.483 1.00 24.24 H new ATOM 0 HA PHE A 23 -7.833 -8.336 1.317 1.00 22.21 H new ATOM 0 HB2 PHE A 23 -9.743 -8.752 3.630 1.00 63.24 H new ATOM 0 HB3 PHE A 23 -9.962 -7.461 2.465 1.00 63.24 H new ATOM 0 HD1 PHE A 23 -9.511 -11.195 2.619 1.00 35.21 H new ATOM 0 HD2 PHE A 23 -11.212 -7.854 0.509 1.00 13.54 H new ATOM 0 HE1 PHE A 23 -10.705 -12.758 1.105 1.00 23.04 H new ATOM 0 HE2 PHE A 23 -12.478 -9.418 -0.949 1.00 1.22 H new ATOM 0 HZ PHE A 23 -12.221 -11.872 -0.655 1.00 34.13 H new ATOM 336 N LYS A 24 -7.121 -7.254 4.358 1.00 1.33 N ATOM 337 CA LYS A 24 -6.542 -6.171 5.139 1.00 71.30 C ATOM 338 C LYS A 24 -5.423 -5.450 4.398 1.00 23.22 C ATOM 339 O LYS A 24 -5.441 -4.226 4.282 1.00 4.22 O ATOM 340 CB LYS A 24 -6.138 -6.616 6.507 1.00 61.44 C ATOM 341 CG LYS A 24 -5.206 -7.817 6.580 1.00 61.32 C ATOM 342 CD LYS A 24 -5.516 -8.437 7.931 1.00 13.14 C ATOM 343 CE LYS A 24 -4.909 -7.639 9.077 1.00 3.52 C ATOM 344 NZ LYS A 24 -5.613 -7.812 10.362 1.00 53.32 N ATOM 0 H LYS A 24 -7.248 -8.114 4.892 1.00 1.33 H new ATOM 0 HA LYS A 24 -7.331 -5.432 5.279 1.00 71.30 H new ATOM 0 HB2 LYS A 24 -5.656 -5.778 7.010 1.00 61.44 H new ATOM 0 HB3 LYS A 24 -7.041 -6.850 7.071 1.00 61.44 H new ATOM 0 HG2 LYS A 24 -5.393 -8.518 5.766 1.00 61.32 H new ATOM 0 HG3 LYS A 24 -4.161 -7.517 6.508 1.00 61.32 H new ATOM 0 HD2 LYS A 24 -6.596 -8.497 8.063 1.00 13.14 H new ATOM 0 HD3 LYS A 24 -5.134 -9.458 7.958 1.00 13.14 H new ATOM 0 HE2 LYS A 24 -3.867 -7.935 9.201 1.00 3.52 H new ATOM 0 HE3 LYS A 24 -4.911 -6.582 8.812 1.00 3.52 H new ATOM 0 HZ1 LYS A 24 -5.465 -6.970 10.955 1.00 53.32 H new ATOM 0 HZ2 LYS A 24 -6.630 -7.937 10.186 1.00 53.32 H new ATOM 0 HZ3 LYS A 24 -5.240 -8.650 10.852 1.00 53.32 H new ATOM 354 N ALA A 25 -4.447 -6.223 3.920 1.00 11.45 N ATOM 355 CA ALA A 25 -3.267 -5.748 3.208 1.00 55.53 C ATOM 356 C ALA A 25 -3.644 -5.094 1.880 1.00 43.35 C ATOM 357 O ALA A 25 -3.138 -4.017 1.548 1.00 11.23 O ATOM 358 CB ALA A 25 -2.342 -6.934 2.948 1.00 1.15 C ATOM 0 H ALA A 25 -4.461 -7.238 4.024 1.00 11.45 H new ATOM 0 HA ALA A 25 -2.767 -4.998 3.821 1.00 55.53 H new ATOM 0 HB1 ALA A 25 -1.454 -6.593 2.415 1.00 1.15 H new ATOM 0 HB2 ALA A 25 -2.047 -7.380 3.898 1.00 1.15 H new ATOM 0 HB3 ALA A 25 -2.864 -7.677 2.345 1.00 1.15 H new ATOM 364 N GLU A 26 -4.543 -5.721 1.119 1.00 24.00 N ATOM 365 CA GLU A 26 -5.007 -5.224 -0.175 1.00 0.20 C ATOM 366 C GLU A 26 -5.863 -3.958 -0.052 1.00 51.42 C ATOM 367 O GLU A 26 -6.144 -3.325 -1.065 1.00 14.43 O ATOM 368 CB GLU A 26 -5.728 -6.335 -0.956 1.00 61.23 C ATOM 369 CG GLU A 26 -4.800 -6.928 -2.022 1.00 0.40 C ATOM 370 CD GLU A 26 -5.413 -8.123 -2.760 1.00 52.51 C ATOM 371 OE1 GLU A 26 -5.605 -9.192 -2.132 1.00 61.13 O ATOM 372 OE2 GLU A 26 -5.644 -8.001 -3.987 1.00 15.42 O ATOM 0 H GLU A 26 -4.976 -6.604 1.391 1.00 24.00 H new ATOM 0 HA GLU A 26 -4.125 -4.930 -0.744 1.00 0.20 H new ATOM 0 HB2 GLU A 26 -6.052 -7.118 -0.271 1.00 61.23 H new ATOM 0 HB3 GLU A 26 -6.625 -5.933 -1.428 1.00 61.23 H new ATOM 0 HG2 GLU A 26 -4.547 -6.153 -2.746 1.00 0.40 H new ATOM 0 HG3 GLU A 26 -3.868 -7.240 -1.550 1.00 0.40 H new ATOM 377 N ALA A 27 -6.186 -3.503 1.163 1.00 24.21 N ATOM 378 CA ALA A 27 -6.771 -2.196 1.474 1.00 61.33 C ATOM 379 C ALA A 27 -5.850 -1.376 2.396 1.00 1.52 C ATOM 380 O ALA A 27 -6.287 -0.380 2.977 1.00 35.33 O ATOM 381 CB ALA A 27 -8.134 -2.446 2.138 1.00 53.30 C ATOM 0 H ALA A 27 -6.038 -4.067 2.000 1.00 24.21 H new ATOM 0 HA ALA A 27 -6.894 -1.614 0.561 1.00 61.33 H new ATOM 0 HB1 ALA A 27 -8.599 -1.492 2.384 1.00 53.30 H new ATOM 0 HB2 ALA A 27 -8.777 -2.997 1.452 1.00 53.30 H new ATOM 0 HB3 ALA A 27 -7.994 -3.027 3.050 1.00 53.30 H new ATOM 387 N ARG A 28 -4.575 -1.753 2.549 1.00 63.14 N ATOM 388 CA ARG A 28 -3.539 -0.992 3.262 1.00 44.21 C ATOM 389 C ARG A 28 -2.519 -0.442 2.268 1.00 63.22 C ATOM 390 O ARG A 28 -2.021 0.671 2.449 1.00 12.12 O ATOM 391 CB ARG A 28 -2.842 -1.900 4.300 1.00 52.43 C ATOM 392 CG ARG A 28 -2.805 -1.352 5.736 1.00 43.13 C ATOM 393 CD ARG A 28 -1.810 -0.197 5.941 1.00 31.32 C ATOM 394 NE ARG A 28 -1.438 -0.002 7.360 1.00 20.32 N ATOM 395 CZ ARG A 28 -2.224 0.335 8.392 1.00 61.21 C ATOM 396 NH1 ARG A 28 -3.523 0.542 8.203 1.00 44.42 N ATOM 397 NH2 ARG A 28 -1.694 0.450 9.603 1.00 11.04 N ATOM 0 H ARG A 28 -4.222 -2.630 2.165 1.00 63.14 H new ATOM 0 HA ARG A 28 -4.004 -0.155 3.783 1.00 44.21 H new ATOM 0 HB2 ARG A 28 -3.348 -2.866 4.311 1.00 52.43 H new ATOM 0 HB3 ARG A 28 -1.818 -2.080 3.971 1.00 52.43 H new ATOM 0 HG2 ARG A 28 -3.803 -1.010 6.009 1.00 43.13 H new ATOM 0 HG3 ARG A 28 -2.549 -2.164 6.417 1.00 43.13 H new ATOM 0 HD2 ARG A 28 -0.910 -0.392 5.358 1.00 31.32 H new ATOM 0 HD3 ARG A 28 -2.246 0.724 5.555 1.00 31.32 H new ATOM 0 HE ARG A 28 -0.452 -0.143 7.582 1.00 20.32 H new ATOM 0 HH11 ARG A 28 -3.925 0.445 7.270 1.00 44.42 H new ATOM 0 HH12 ARG A 28 -4.118 0.798 8.990 1.00 44.42 H new ATOM 0 HH21 ARG A 28 -0.697 0.282 9.742 1.00 11.04 H new ATOM 0 HH22 ARG A 28 -2.283 0.706 10.395 1.00 11.04 H new ATOM 408 N ARG A 29 -2.191 -1.209 1.219 1.00 75.23 N ATOM 409 CA ARG A 29 -1.166 -0.857 0.235 1.00 2.54 C ATOM 410 C ARG A 29 -1.454 0.507 -0.426 1.00 75.01 C ATOM 411 O ARG A 29 -0.524 1.298 -0.591 1.00 1.11 O ATOM 412 CB ARG A 29 -0.936 -2.038 -0.749 1.00 73.12 C ATOM 413 CG ARG A 29 -2.128 -2.405 -1.656 1.00 2.20 C ATOM 414 CD ARG A 29 -1.956 -3.634 -2.572 1.00 13.23 C ATOM 415 NE ARG A 29 -2.738 -3.501 -3.821 1.00 14.23 N ATOM 416 CZ ARG A 29 -2.764 -4.365 -4.852 1.00 0.44 C ATOM 417 NH1 ARG A 29 -2.265 -5.584 -4.722 1.00 3.23 N ATOM 418 NH2 ARG A 29 -3.274 -4.020 -6.027 1.00 31.24 N ATOM 0 H ARG A 29 -2.640 -2.105 1.030 1.00 75.23 H new ATOM 0 HA ARG A 29 -0.211 -0.707 0.738 1.00 2.54 H new ATOM 0 HB2 ARG A 29 -0.084 -1.795 -1.384 1.00 73.12 H new ATOM 0 HB3 ARG A 29 -0.661 -2.919 -0.169 1.00 73.12 H new ATOM 0 HG2 ARG A 29 -2.998 -2.574 -1.021 1.00 2.20 H new ATOM 0 HG3 ARG A 29 -2.354 -1.543 -2.284 1.00 2.20 H new ATOM 0 HD2 ARG A 29 -0.901 -3.761 -2.815 1.00 13.23 H new ATOM 0 HD3 ARG A 29 -2.271 -4.531 -2.040 1.00 13.23 H new ATOM 0 HE ARG A 29 -3.318 -2.667 -3.910 1.00 14.23 H new ATOM 0 HH11 ARG A 29 -1.856 -5.876 -3.834 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -2.289 -6.232 -5.510 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -3.656 -3.084 -6.162 1.00 31.24 H new ATOM 0 HH22 ARG A 29 -3.284 -4.691 -6.795 1.00 31.24 H new ATOM 429 N ASN A 30 -2.716 0.826 -0.732 1.00 33.34 N ATOM 430 CA ASN A 30 -3.158 2.105 -1.307 1.00 22.41 C ATOM 431 C ASN A 30 -2.818 3.265 -0.379 1.00 14.53 C ATOM 432 O ASN A 30 -2.162 4.217 -0.791 1.00 55.21 O ATOM 433 CB ASN A 30 -4.692 2.106 -1.533 1.00 55.34 C ATOM 434 CG ASN A 30 -5.116 2.055 -2.989 1.00 1.33 C ATOM 435 OD1 ASN A 30 -4.508 2.710 -3.837 1.00 31.14 O ATOM 436 ND2 ASN A 30 -6.179 1.329 -3.273 1.00 61.13 N ATOM 0 H ASN A 30 -3.488 0.177 -0.581 1.00 33.34 H new ATOM 0 HA ASN A 30 -2.640 2.225 -2.258 1.00 22.41 H new ATOM 0 HB2 ASN A 30 -5.123 1.251 -1.012 1.00 55.34 H new ATOM 0 HB3 ASN A 30 -5.113 3.002 -1.077 1.00 55.34 H new ATOM 0 HD21 ASN A 30 -6.531 1.293 -4.230 1.00 61.13 H new ATOM 0 HD22 ASN A 30 -6.649 0.803 -2.536 1.00 61.13 H new ATOM 442 N ARG A 31 -3.266 3.215 0.878 1.00 55.15 N ATOM 443 CA ARG A 31 -3.075 4.274 1.870 1.00 31.34 C ATOM 444 C ARG A 31 -1.591 4.571 2.052 1.00 2.43 C ATOM 445 O ARG A 31 -1.221 5.741 2.040 1.00 2.03 O ATOM 446 CB ARG A 31 -3.799 3.853 3.158 1.00 60.04 C ATOM 447 CG ARG A 31 -3.841 4.865 4.315 1.00 2.53 C ATOM 448 CD ARG A 31 -5.054 4.498 5.188 1.00 13.14 C ATOM 449 NE ARG A 31 -5.045 5.107 6.529 1.00 75.23 N ATOM 450 CZ ARG A 31 -5.929 4.790 7.487 1.00 53.43 C ATOM 451 NH1 ARG A 31 -6.981 4.029 7.214 1.00 75.44 N ATOM 452 NH2 ARG A 31 -5.770 5.212 8.734 1.00 75.13 N ATOM 0 H ARG A 31 -3.785 2.416 1.243 1.00 55.15 H new ATOM 0 HA ARG A 31 -3.512 5.217 1.541 1.00 31.34 H new ATOM 0 HB2 ARG A 31 -4.826 3.598 2.898 1.00 60.04 H new ATOM 0 HB3 ARG A 31 -3.327 2.942 3.526 1.00 60.04 H new ATOM 0 HG2 ARG A 31 -2.920 4.824 4.897 1.00 2.53 H new ATOM 0 HG3 ARG A 31 -3.933 5.882 3.935 1.00 2.53 H new ATOM 0 HD2 ARG A 31 -5.964 4.802 4.670 1.00 13.14 H new ATOM 0 HD3 ARG A 31 -5.095 3.414 5.295 1.00 13.14 H new ATOM 0 HE ARG A 31 -4.331 5.804 6.740 1.00 75.23 H new ATOM 0 HH11 ARG A 31 -7.125 3.678 6.267 1.00 75.44 H new ATOM 0 HH12 ARG A 31 -7.646 3.795 7.951 1.00 75.44 H new ATOM 0 HH21 ARG A 31 -4.965 5.788 8.979 1.00 75.13 H new ATOM 0 HH22 ARG A 31 -6.453 4.960 9.449 1.00 75.13 H new ATOM 463 N LEU A 32 -0.743 3.535 2.112 1.00 11.42 N ATOM 464 CA LEU A 32 0.722 3.657 2.138 1.00 53.05 C ATOM 465 C LEU A 32 1.266 4.445 0.936 1.00 34.11 C ATOM 466 O LEU A 32 2.295 5.103 1.050 1.00 1.12 O ATOM 467 CB LEU A 32 1.367 2.251 2.182 1.00 75.54 C ATOM 468 CG LEU A 32 2.109 1.889 3.487 1.00 41.12 C ATOM 469 CD1 LEU A 32 1.264 2.070 4.754 1.00 51.40 C ATOM 470 CD2 LEU A 32 2.541 0.415 3.433 1.00 63.42 C ATOM 0 H LEU A 32 -1.063 2.567 2.145 1.00 11.42 H new ATOM 0 HA LEU A 32 0.985 4.215 3.037 1.00 53.05 H new ATOM 0 HB2 LEU A 32 0.586 1.509 2.013 1.00 75.54 H new ATOM 0 HB3 LEU A 32 2.070 2.169 1.353 1.00 75.54 H new ATOM 0 HG LEU A 32 2.955 2.573 3.548 1.00 41.12 H new ATOM 0 HD11 LEU A 32 1.855 1.796 5.628 1.00 51.40 H new ATOM 0 HD12 LEU A 32 0.953 3.111 4.838 1.00 51.40 H new ATOM 0 HD13 LEU A 32 0.382 1.432 4.697 1.00 51.40 H new ATOM 0 HD21 LEU A 32 3.065 0.156 4.353 1.00 63.42 H new ATOM 0 HD22 LEU A 32 1.660 -0.219 3.326 1.00 63.42 H new ATOM 0 HD23 LEU A 32 3.204 0.261 2.582 1.00 63.42 H new ATOM 481 N LEU A 33 0.624 4.366 -0.232 1.00 31.32 N ATOM 482 CA LEU A 33 1.016 5.113 -1.430 1.00 75.12 C ATOM 483 C LEU A 33 0.479 6.547 -1.376 1.00 20.50 C ATOM 484 O LEU A 33 1.166 7.483 -1.778 1.00 11.04 O ATOM 485 CB LEU A 33 0.475 4.393 -2.688 1.00 75.15 C ATOM 486 CG LEU A 33 1.560 3.787 -3.592 1.00 13.03 C ATOM 487 CD1 LEU A 33 0.925 3.000 -4.730 1.00 42.21 C ATOM 488 CD2 LEU A 33 2.433 4.862 -4.228 1.00 53.15 C ATOM 0 H LEU A 33 -0.194 3.773 -0.374 1.00 31.32 H new ATOM 0 HA LEU A 33 2.104 5.157 -1.475 1.00 75.12 H new ATOM 0 HB2 LEU A 33 -0.203 3.599 -2.374 1.00 75.15 H new ATOM 0 HB3 LEU A 33 -0.113 5.101 -3.272 1.00 75.15 H new ATOM 0 HG LEU A 33 2.167 3.144 -2.955 1.00 13.03 H new ATOM 0 HD11 LEU A 33 1.707 2.577 -5.361 1.00 42.21 H new ATOM 0 HD12 LEU A 33 0.315 2.195 -4.320 1.00 42.21 H new ATOM 0 HD13 LEU A 33 0.297 3.663 -5.325 1.00 42.21 H new ATOM 0 HD21 LEU A 33 3.187 4.392 -4.859 1.00 53.15 H new ATOM 0 HD22 LEU A 33 1.813 5.523 -4.834 1.00 53.15 H new ATOM 0 HD23 LEU A 33 2.924 5.441 -3.446 1.00 53.15 H new ATOM 499 N GLY A 34 -0.742 6.740 -0.875 1.00 72.13 N ATOM 500 CA GLY A 34 -1.365 8.053 -0.786 1.00 53.25 C ATOM 501 C GLY A 34 -0.602 8.978 0.159 1.00 0.00 C ATOM 502 O GLY A 34 -0.444 10.158 -0.143 1.00 40.31 O ATOM 0 H GLY A 34 -1.326 5.983 -0.519 1.00 72.13 H new ATOM 0 HA2 GLY A 34 -1.409 8.503 -1.778 1.00 53.25 H new ATOM 0 HA3 GLY A 34 -2.393 7.945 -0.439 1.00 53.25 H new ATOM 506 N GLU A 35 -0.119 8.455 1.290 1.00 0.02 N ATOM 507 CA GLU A 35 0.655 9.231 2.260 1.00 12.10 C ATOM 508 C GLU A 35 1.992 9.725 1.700 1.00 32.32 C ATOM 509 O GLU A 35 2.420 10.809 2.087 1.00 75.52 O ATOM 510 CB GLU A 35 0.783 8.492 3.609 1.00 34.20 C ATOM 511 CG GLU A 35 1.214 7.015 3.582 1.00 32.11 C ATOM 512 CD GLU A 35 2.672 6.719 3.952 1.00 0.21 C ATOM 513 OE1 GLU A 35 3.603 7.315 3.367 1.00 54.25 O ATOM 514 OE2 GLU A 35 2.892 5.824 4.803 1.00 41.22 O ATOM 0 H GLU A 35 -0.255 7.480 1.558 1.00 0.02 H new ATOM 0 HA GLU A 35 0.089 10.140 2.464 1.00 12.10 H new ATOM 0 HB2 GLU A 35 1.499 9.038 4.223 1.00 34.20 H new ATOM 0 HB3 GLU A 35 -0.181 8.550 4.115 1.00 34.20 H new ATOM 0 HG2 GLU A 35 0.570 6.460 4.264 1.00 32.11 H new ATOM 0 HG3 GLU A 35 1.030 6.625 2.581 1.00 32.11 H new ATOM 519 N TRP A 36 2.596 9.022 0.736 1.00 35.50 N ATOM 520 CA TRP A 36 3.730 9.536 -0.029 1.00 60.32 C ATOM 521 C TRP A 36 3.278 10.700 -0.909 1.00 20.54 C ATOM 522 O TRP A 36 3.755 11.821 -0.757 1.00 14.13 O ATOM 523 CB TRP A 36 4.334 8.414 -0.884 1.00 0.43 C ATOM 524 CG TRP A 36 5.199 8.832 -2.031 1.00 33.51 C ATOM 525 CD1 TRP A 36 6.388 9.471 -1.939 1.00 61.45 C ATOM 526 CD2 TRP A 36 4.966 8.614 -3.457 1.00 13.02 C ATOM 527 NE1 TRP A 36 6.934 9.605 -3.200 1.00 12.11 N ATOM 528 CE2 TRP A 36 6.106 9.082 -4.174 1.00 15.30 C ATOM 529 CE3 TRP A 36 3.916 8.046 -4.214 1.00 43.05 C ATOM 530 CZ2 TRP A 36 6.200 8.978 -5.570 1.00 43.13 C ATOM 531 CZ3 TRP A 36 3.993 7.961 -5.618 1.00 60.41 C ATOM 532 CH2 TRP A 36 5.130 8.434 -6.292 1.00 24.42 C ATOM 0 H TRP A 36 2.310 8.081 0.466 1.00 35.50 H new ATOM 0 HA TRP A 36 4.495 9.898 0.658 1.00 60.32 H new ATOM 0 HB2 TRP A 36 4.923 7.769 -0.232 1.00 0.43 H new ATOM 0 HB3 TRP A 36 3.517 7.809 -1.277 1.00 0.43 H new ATOM 0 HD1 TRP A 36 6.839 9.821 -1.023 1.00 61.45 H new ATOM 0 HE1 TRP A 36 7.838 10.037 -3.389 1.00 12.11 H new ATOM 0 HE3 TRP A 36 3.039 7.671 -3.707 1.00 43.05 H new ATOM 0 HZ2 TRP A 36 7.089 9.314 -6.083 1.00 43.13 H new ATOM 0 HZ3 TRP A 36 3.175 7.531 -6.177 1.00 60.41 H new ATOM 0 HH2 TRP A 36 5.180 8.378 -7.369 1.00 24.42 H new ATOM 542 N ALA A 37 2.351 10.437 -1.837 1.00 44.01 N ATOM 543 CA ALA A 37 1.979 11.390 -2.878 1.00 34.32 C ATOM 544 C ALA A 37 1.480 12.717 -2.295 1.00 72.32 C ATOM 545 O ALA A 37 1.788 13.758 -2.866 1.00 74.52 O ATOM 546 CB ALA A 37 0.939 10.733 -3.788 1.00 40.44 C ATOM 0 H ALA A 37 1.840 9.556 -1.884 1.00 44.01 H new ATOM 0 HA ALA A 37 2.862 11.645 -3.465 1.00 34.32 H new ATOM 0 HB1 ALA A 37 0.649 11.432 -4.573 1.00 40.44 H new ATOM 0 HB2 ALA A 37 1.365 9.837 -4.239 1.00 40.44 H new ATOM 0 HB3 ALA A 37 0.061 10.462 -3.201 1.00 40.44 H new ATOM 552 N ALA A 38 0.807 12.721 -1.137 1.00 23.50 N ATOM 553 CA ALA A 38 0.427 13.947 -0.432 1.00 54.01 C ATOM 554 C ALA A 38 1.616 14.914 -0.267 1.00 31.21 C ATOM 555 O ALA A 38 1.462 16.122 -0.467 1.00 74.52 O ATOM 556 CB ALA A 38 -0.163 13.573 0.931 1.00 15.14 C ATOM 0 H ALA A 38 0.510 11.868 -0.662 1.00 23.50 H new ATOM 0 HA ALA A 38 -0.319 14.472 -1.028 1.00 54.01 H new ATOM 0 HB1 ALA A 38 -0.449 14.479 1.465 1.00 15.14 H new ATOM 0 HB2 ALA A 38 -1.041 12.944 0.787 1.00 15.14 H new ATOM 0 HB3 ALA A 38 0.581 13.029 1.513 1.00 15.14 H new ATOM 562 N GLY A 39 2.805 14.387 0.043 1.00 43.41 N ATOM 563 CA GLY A 39 4.052 15.134 0.133 1.00 43.11 C ATOM 564 C GLY A 39 4.438 15.813 -1.174 1.00 22.11 C ATOM 565 O GLY A 39 4.957 16.925 -1.168 1.00 4.41 O ATOM 0 H GLY A 39 2.924 13.394 0.244 1.00 43.41 H new ATOM 0 HA2 GLY A 39 3.961 15.889 0.914 1.00 43.11 H new ATOM 0 HA3 GLY A 39 4.852 14.458 0.434 1.00 43.11 H new ATOM 569 N LEU A 40 4.194 15.143 -2.296 1.00 41.32 N ATOM 570 CA LEU A 40 4.676 15.542 -3.608 1.00 54.03 C ATOM 571 C LEU A 40 3.811 16.621 -4.234 1.00 11.23 C ATOM 572 O LEU A 40 4.363 17.568 -4.801 1.00 15.30 O ATOM 573 CB LEU A 40 4.707 14.317 -4.517 1.00 34.52 C ATOM 574 CG LEU A 40 5.838 13.353 -4.153 1.00 41.12 C ATOM 575 CD1 LEU A 40 5.678 12.148 -5.075 1.00 74.12 C ATOM 576 CD2 LEU A 40 7.237 13.929 -4.405 1.00 71.55 C ATOM 0 H LEU A 40 3.641 14.286 -2.315 1.00 41.32 H new ATOM 0 HA LEU A 40 5.676 15.958 -3.488 1.00 54.03 H new ATOM 0 HB2 LEU A 40 3.752 13.795 -4.452 1.00 34.52 H new ATOM 0 HB3 LEU A 40 4.825 14.638 -5.552 1.00 34.52 H new ATOM 0 HG LEU A 40 5.766 13.125 -3.090 1.00 41.12 H new ATOM 0 HD11 LEU A 40 6.461 11.420 -4.862 1.00 74.12 H new ATOM 0 HD12 LEU A 40 4.703 11.690 -4.910 1.00 74.12 H new ATOM 0 HD13 LEU A 40 5.756 12.471 -6.113 1.00 74.12 H new ATOM 0 HD21 LEU A 40 7.990 13.192 -4.125 1.00 71.55 H new ATOM 0 HD22 LEU A 40 7.345 14.174 -5.462 1.00 71.55 H new ATOM 0 HD23 LEU A 40 7.372 14.831 -3.808 1.00 71.55 H new ATOM 587 N LEU A 41 2.483 16.497 -4.124 1.00 4.42 N ATOM 588 CA LEU A 41 1.568 17.581 -4.496 1.00 43.02 C ATOM 589 C LEU A 41 1.906 18.807 -3.650 1.00 15.00 C ATOM 590 O LEU A 41 1.902 19.932 -4.139 1.00 21.43 O ATOM 591 CB LEU A 41 0.094 17.215 -4.282 1.00 72.21 C ATOM 592 CG LEU A 41 -0.535 16.183 -5.235 1.00 2.34 C ATOM 593 CD1 LEU A 41 -0.353 16.474 -6.724 1.00 0.32 C ATOM 594 CD2 LEU A 41 -0.131 14.753 -4.924 1.00 24.30 C ATOM 0 H LEU A 41 2.019 15.656 -3.780 1.00 4.42 H new ATOM 0 HA LEU A 41 1.698 17.778 -5.560 1.00 43.02 H new ATOM 0 HB2 LEU A 41 -0.014 16.840 -3.264 1.00 72.21 H new ATOM 0 HB3 LEU A 41 -0.492 18.132 -4.348 1.00 72.21 H new ATOM 0 HG LEU A 41 -1.601 16.292 -5.033 1.00 2.34 H new ATOM 0 HD11 LEU A 41 -0.832 15.689 -7.309 1.00 0.32 H new ATOM 0 HD12 LEU A 41 -0.808 17.435 -6.965 1.00 0.32 H new ATOM 0 HD13 LEU A 41 0.710 16.506 -6.961 1.00 0.32 H new ATOM 0 HD21 LEU A 41 -0.609 14.077 -5.633 1.00 24.30 H new ATOM 0 HD22 LEU A 41 0.952 14.655 -5.004 1.00 24.30 H new ATOM 0 HD23 LEU A 41 -0.445 14.498 -3.912 1.00 24.30 H new ATOM 605 N GLY A 42 2.255 18.574 -2.386 1.00 42.32 N ATOM 606 CA GLY A 42 2.658 19.602 -1.451 1.00 15.34 C ATOM 607 C GLY A 42 1.469 19.930 -0.570 1.00 3.23 C ATOM 608 O GLY A 42 0.950 21.045 -0.609 1.00 54.24 O ATOM 0 H GLY A 42 2.263 17.638 -1.981 1.00 42.32 H new ATOM 0 HA2 GLY A 42 3.497 19.258 -0.846 1.00 15.34 H new ATOM 0 HA3 GLY A 42 2.993 20.491 -1.984 1.00 15.34 H new ATOM 612 N LYS A 43 0.995 18.938 0.181 1.00 2.23 N ATOM 613 CA LYS A 43 0.000 19.123 1.228 1.00 11.34 C ATOM 614 C LYS A 43 0.706 19.121 2.578 1.00 2.24 C ATOM 615 O LYS A 43 1.829 18.619 2.695 1.00 35.30 O ATOM 616 CB LYS A 43 -1.014 17.972 1.192 1.00 12.03 C ATOM 617 CG LYS A 43 -1.725 17.717 -0.139 1.00 63.15 C ATOM 618 CD LYS A 43 -2.528 18.913 -0.668 1.00 3.53 C ATOM 619 CE LYS A 43 -3.220 18.527 -1.978 1.00 41.52 C ATOM 620 NZ LYS A 43 -4.423 17.691 -1.774 1.00 72.15 N ATOM 0 H LYS A 43 1.298 17.970 0.075 1.00 2.23 H new ATOM 0 HA LYS A 43 -0.522 20.067 1.074 1.00 11.34 H new ATOM 0 HB2 LYS A 43 -0.498 17.056 1.482 1.00 12.03 H new ATOM 0 HB3 LYS A 43 -1.773 18.164 1.951 1.00 12.03 H new ATOM 0 HG2 LYS A 43 -0.982 17.435 -0.885 1.00 63.15 H new ATOM 0 HG3 LYS A 43 -2.397 16.867 -0.021 1.00 63.15 H new ATOM 0 HD2 LYS A 43 -3.269 19.221 0.069 1.00 3.53 H new ATOM 0 HD3 LYS A 43 -1.867 19.764 -0.831 1.00 3.53 H new ATOM 0 HE2 LYS A 43 -3.501 19.433 -2.514 1.00 41.52 H new ATOM 0 HE3 LYS A 43 -2.514 17.989 -2.610 1.00 41.52 H new ATOM 0 HZ1 LYS A 43 -4.847 17.462 -2.696 1.00 72.15 H new ATOM 0 HZ2 LYS A 43 -4.156 16.811 -1.288 1.00 72.15 H new ATOM 0 HZ3 LYS A 43 -5.113 18.211 -1.195 1.00 72.15 H new ATOM 630 N THR A 44 0.013 19.564 3.618 1.00 72.33 N ATOM 631 CA THR A 44 0.409 19.381 5.007 1.00 53.23 C ATOM 632 C THR A 44 -0.850 19.057 5.814 1.00 60.54 C ATOM 633 O THR A 44 -1.962 19.290 5.335 1.00 60.52 O ATOM 634 CB THR A 44 1.119 20.647 5.524 1.00 0.05 C ATOM 635 OG1 THR A 44 0.415 21.822 5.176 1.00 75.13 O ATOM 636 CG2 THR A 44 2.541 20.788 4.985 1.00 64.14 C ATOM 0 H THR A 44 -0.864 20.075 3.516 1.00 72.33 H new ATOM 0 HA THR A 44 1.118 18.559 5.109 1.00 53.23 H new ATOM 0 HB THR A 44 1.151 20.529 6.607 1.00 0.05 H new ATOM 0 HG1 THR A 44 0.893 22.604 5.522 1.00 75.13 H new ATOM 0 HG21 THR A 44 2.992 21.697 5.382 1.00 64.14 H new ATOM 0 HG22 THR A 44 3.133 19.925 5.291 1.00 64.14 H new ATOM 0 HG23 THR A 44 2.514 20.842 3.897 1.00 64.14 H new ATOM 644 N GLY A 45 -0.698 18.547 7.038 1.00 54.31 N ATOM 645 CA GLY A 45 -1.734 18.558 8.041 1.00 52.20 C ATOM 646 C GLY A 45 -2.936 17.796 7.533 1.00 53.43 C ATOM 647 O GLY A 45 -2.813 16.726 6.931 1.00 1.44 O ATOM 0 H GLY A 45 0.168 18.110 7.353 1.00 54.31 H new ATOM 0 HA2 GLY A 45 -1.367 18.107 8.963 1.00 52.20 H new ATOM 0 HA3 GLY A 45 -2.014 19.584 8.278 1.00 52.20 H new ATOM 651 N ASP A 46 -4.124 18.333 7.792 1.00 42.03 N ATOM 652 CA ASP A 46 -5.331 17.617 7.426 1.00 71.32 C ATOM 653 C ASP A 46 -5.599 17.617 5.922 1.00 73.11 C ATOM 654 O ASP A 46 -6.326 16.753 5.432 1.00 51.52 O ATOM 655 CB ASP A 46 -6.564 18.114 8.188 1.00 64.03 C ATOM 656 CG ASP A 46 -6.805 19.619 8.092 1.00 53.22 C ATOM 657 OD1 ASP A 46 -7.464 20.062 7.124 1.00 41.33 O ATOM 658 OD2 ASP A 46 -6.313 20.335 9.005 1.00 64.52 O ATOM 0 H ASP A 46 -4.272 19.237 8.242 1.00 42.03 H new ATOM 0 HA ASP A 46 -5.144 16.585 7.722 1.00 71.32 H new ATOM 0 HB2 ASP A 46 -7.444 17.593 7.809 1.00 64.03 H new ATOM 0 HB3 ASP A 46 -6.460 17.842 9.238 1.00 64.03 H new ATOM 662 N ASP A 47 -4.995 18.531 5.171 1.00 1.24 N ATOM 663 CA ASP A 47 -5.011 18.503 3.705 1.00 71.13 C ATOM 664 C ASP A 47 -4.310 17.253 3.195 1.00 21.03 C ATOM 665 O ASP A 47 -4.748 16.627 2.227 1.00 61.13 O ATOM 666 CB ASP A 47 -4.298 19.723 3.106 1.00 72.34 C ATOM 667 CG ASP A 47 -5.295 20.661 2.443 1.00 52.33 C ATOM 668 OD1 ASP A 47 -5.707 20.356 1.306 1.00 44.45 O ATOM 669 OD2 ASP A 47 -5.693 21.679 3.049 1.00 64.22 O ATOM 0 H ASP A 47 -4.476 19.318 5.560 1.00 1.24 H new ATOM 0 HA ASP A 47 -6.057 18.512 3.399 1.00 71.13 H new ATOM 0 HB2 ASP A 47 -3.757 20.255 3.889 1.00 72.34 H new ATOM 0 HB3 ASP A 47 -3.559 19.395 2.375 1.00 72.34 H new ATOM 673 N ALA A 48 -3.190 16.905 3.832 1.00 55.14 N ATOM 674 CA ALA A 48 -2.396 15.756 3.449 1.00 33.24 C ATOM 675 C ALA A 48 -3.068 14.467 3.903 1.00 22.11 C ATOM 676 O ALA A 48 -2.930 13.425 3.256 1.00 75.41 O ATOM 677 CB ALA A 48 -1.019 15.855 4.099 1.00 44.21 C ATOM 0 H ALA A 48 -2.815 17.419 4.629 1.00 55.14 H new ATOM 0 HA ALA A 48 -2.300 15.743 2.363 1.00 33.24 H new ATOM 0 HB1 ALA A 48 -0.419 14.991 3.813 1.00 44.21 H new ATOM 0 HB2 ALA A 48 -0.524 16.767 3.766 1.00 44.21 H new ATOM 0 HB3 ALA A 48 -1.129 15.877 5.183 1.00 44.21 H new ATOM 683 N ARG A 49 -3.774 14.518 5.037 1.00 20.23 N ATOM 684 CA ARG A 49 -4.535 13.374 5.520 1.00 23.25 C ATOM 685 C ARG A 49 -5.608 13.025 4.501 1.00 13.33 C ATOM 686 O ARG A 49 -5.672 11.866 4.100 1.00 75.20 O ATOM 687 CB ARG A 49 -5.115 13.628 6.916 1.00 35.31 C ATOM 688 CG ARG A 49 -4.014 13.616 7.985 1.00 74.14 C ATOM 689 CD ARG A 49 -4.601 13.892 9.368 1.00 23.54 C ATOM 690 NE ARG A 49 -3.557 13.991 10.404 1.00 33.42 N ATOM 691 CZ ARG A 49 -3.129 12.997 11.194 1.00 73.10 C ATOM 692 NH1 ARG A 49 -3.607 11.763 11.074 1.00 62.42 N ATOM 693 NH2 ARG A 49 -2.210 13.264 12.109 1.00 4.44 N ATOM 0 H ARG A 49 -3.831 15.343 5.634 1.00 20.23 H new ATOM 0 HA ARG A 49 -3.869 12.518 5.628 1.00 23.25 H new ATOM 0 HB2 ARG A 49 -5.629 14.589 6.930 1.00 35.31 H new ATOM 0 HB3 ARG A 49 -5.859 12.866 7.148 1.00 35.31 H new ATOM 0 HG2 ARG A 49 -3.510 12.649 7.985 1.00 74.14 H new ATOM 0 HG3 ARG A 49 -3.261 14.368 7.747 1.00 74.14 H new ATOM 0 HD2 ARG A 49 -5.173 14.820 9.340 1.00 23.54 H new ATOM 0 HD3 ARG A 49 -5.298 13.096 9.631 1.00 23.54 H new ATOM 0 HE ARG A 49 -3.119 14.903 10.532 1.00 33.42 H new ATOM 0 HH11 ARG A 49 -4.315 11.557 10.369 1.00 62.42 H new ATOM 0 HH12 ARG A 49 -3.266 11.022 11.687 1.00 62.42 H new ATOM 0 HH21 ARG A 49 -1.843 14.211 12.202 1.00 4.44 H new ATOM 0 HH22 ARG A 49 -1.870 12.523 12.721 1.00 4.44 H new ATOM 704 N ALA A 50 -6.379 14.017 4.042 1.00 24.44 N ATOM 705 CA ALA A 50 -7.440 13.853 3.055 1.00 40.10 C ATOM 706 C ALA A 50 -6.964 13.017 1.865 1.00 74.42 C ATOM 707 O ALA A 50 -7.560 11.986 1.545 1.00 32.34 O ATOM 708 CB ALA A 50 -7.920 15.236 2.597 1.00 71.11 C ATOM 0 H ALA A 50 -6.275 14.981 4.359 1.00 24.44 H new ATOM 0 HA ALA A 50 -8.271 13.317 3.513 1.00 40.10 H new ATOM 0 HB1 ALA A 50 -8.713 15.120 1.859 1.00 71.11 H new ATOM 0 HB2 ALA A 50 -8.300 15.791 3.454 1.00 71.11 H new ATOM 0 HB3 ALA A 50 -7.088 15.781 2.152 1.00 71.11 H new ATOM 714 N TYR A 51 -5.863 13.443 1.241 1.00 72.23 N ATOM 715 CA TYR A 51 -5.290 12.799 0.067 1.00 71.35 C ATOM 716 C TYR A 51 -5.012 11.312 0.331 1.00 20.44 C ATOM 717 O TYR A 51 -5.420 10.444 -0.441 1.00 20.33 O ATOM 718 CB TYR A 51 -4.018 13.558 -0.336 1.00 53.23 C ATOM 719 CG TYR A 51 -3.453 13.134 -1.677 1.00 15.30 C ATOM 720 CD1 TYR A 51 -2.820 11.886 -1.823 1.00 55.54 C ATOM 721 CD2 TYR A 51 -3.611 13.967 -2.797 1.00 73.03 C ATOM 722 CE1 TYR A 51 -2.429 11.437 -3.093 1.00 41.31 C ATOM 723 CE2 TYR A 51 -3.154 13.558 -4.060 1.00 64.12 C ATOM 724 CZ TYR A 51 -2.592 12.272 -4.219 1.00 23.44 C ATOM 725 OH TYR A 51 -2.261 11.814 -5.454 1.00 60.03 O ATOM 0 H TYR A 51 -5.338 14.262 1.548 1.00 72.23 H new ATOM 0 HA TYR A 51 -6.001 12.836 -0.758 1.00 71.35 H new ATOM 0 HB2 TYR A 51 -4.237 14.625 -0.365 1.00 53.23 H new ATOM 0 HB3 TYR A 51 -3.258 13.409 0.431 1.00 53.23 H new ATOM 0 HD1 TYR A 51 -2.635 11.272 -0.954 1.00 55.54 H new ATOM 0 HD2 TYR A 51 -4.088 14.930 -2.686 1.00 73.03 H new ATOM 0 HE1 TYR A 51 -2.003 10.451 -3.209 1.00 41.31 H new ATOM 0 HE2 TYR A 51 -3.232 14.224 -4.907 1.00 64.12 H new ATOM 0 HH TYR A 51 -2.450 12.507 -6.121 1.00 60.03 H new ATOM 734 N ALA A 52 -4.314 10.997 1.425 1.00 35.34 N ATOM 735 CA ALA A 52 -3.933 9.628 1.756 1.00 33.20 C ATOM 736 C ALA A 52 -5.130 8.716 2.050 1.00 44.21 C ATOM 737 O ALA A 52 -4.970 7.494 2.063 1.00 40.34 O ATOM 738 CB ALA A 52 -3.010 9.646 2.971 1.00 4.13 C ATOM 0 H ALA A 52 -3.998 11.688 2.106 1.00 35.34 H new ATOM 0 HA ALA A 52 -3.430 9.219 0.880 1.00 33.20 H new ATOM 0 HB1 ALA A 52 -2.721 8.626 3.224 1.00 4.13 H new ATOM 0 HB2 ALA A 52 -2.118 10.229 2.742 1.00 4.13 H new ATOM 0 HB3 ALA A 52 -3.530 10.096 3.817 1.00 4.13 H new ATOM 744 N LEU A 53 -6.308 9.287 2.312 1.00 42.14 N ATOM 745 CA LEU A 53 -7.480 8.567 2.798 1.00 42.40 C ATOM 746 C LEU A 53 -8.547 8.426 1.713 1.00 60.43 C ATOM 747 O LEU A 53 -9.296 7.450 1.712 1.00 34.24 O ATOM 748 CB LEU A 53 -8.012 9.301 4.044 1.00 14.25 C ATOM 749 CG LEU A 53 -7.055 9.192 5.252 1.00 44.30 C ATOM 750 CD1 LEU A 53 -7.394 10.217 6.343 1.00 31.23 C ATOM 751 CD2 LEU A 53 -7.079 7.779 5.844 1.00 31.03 C ATOM 0 H LEU A 53 -6.474 10.286 2.188 1.00 42.14 H new ATOM 0 HA LEU A 53 -7.202 7.549 3.070 1.00 42.40 H new ATOM 0 HB2 LEU A 53 -8.168 10.352 3.803 1.00 14.25 H new ATOM 0 HB3 LEU A 53 -8.984 8.889 4.317 1.00 14.25 H new ATOM 0 HG LEU A 53 -6.052 9.407 4.883 1.00 44.30 H new ATOM 0 HD11 LEU A 53 -6.698 10.107 7.175 1.00 31.23 H new ATOM 0 HD12 LEU A 53 -7.314 11.224 5.934 1.00 31.23 H new ATOM 0 HD13 LEU A 53 -8.411 10.049 6.697 1.00 31.23 H new ATOM 0 HD21 LEU A 53 -6.397 7.729 6.693 1.00 31.03 H new ATOM 0 HD22 LEU A 53 -8.090 7.541 6.176 1.00 31.03 H new ATOM 0 HD23 LEU A 53 -6.767 7.061 5.085 1.00 31.03 H new ATOM 762 N THR A 54 -8.603 9.337 0.745 1.00 53.25 N ATOM 763 CA THR A 54 -9.623 9.323 -0.297 1.00 42.41 C ATOM 764 C THR A 54 -9.410 8.154 -1.268 1.00 54.21 C ATOM 765 O THR A 54 -10.366 7.667 -1.872 1.00 14.53 O ATOM 766 CB THR A 54 -9.664 10.705 -0.977 1.00 21.44 C ATOM 767 OG1 THR A 54 -10.934 10.929 -1.558 1.00 35.10 O ATOM 768 CG2 THR A 54 -8.575 10.952 -2.020 1.00 33.20 C ATOM 0 H THR A 54 -7.940 10.107 0.662 1.00 53.25 H new ATOM 0 HA THR A 54 -10.607 9.148 0.139 1.00 42.41 H new ATOM 0 HB THR A 54 -9.469 11.416 -0.174 1.00 21.44 H new ATOM 0 HG1 THR A 54 -10.947 11.811 -1.985 1.00 35.10 H new ATOM 0 HG21 THR A 54 -8.692 11.952 -2.438 1.00 33.20 H new ATOM 0 HG22 THR A 54 -7.595 10.868 -1.550 1.00 33.20 H new ATOM 0 HG23 THR A 54 -8.660 10.213 -2.817 1.00 33.20 H new ATOM 776 N VAL A 55 -8.180 7.656 -1.392 1.00 41.15 N ATOM 777 CA VAL A 55 -7.800 6.548 -2.265 1.00 20.01 C ATOM 778 C VAL A 55 -8.386 5.189 -1.806 1.00 1.44 C ATOM 779 O VAL A 55 -8.221 4.155 -2.450 1.00 64.04 O ATOM 780 CB VAL A 55 -6.259 6.583 -2.340 1.00 61.14 C ATOM 781 CG1 VAL A 55 -5.575 6.187 -1.023 1.00 42.33 C ATOM 782 CG2 VAL A 55 -5.735 5.735 -3.490 1.00 51.51 C ATOM 0 H VAL A 55 -7.390 8.029 -0.865 1.00 41.15 H new ATOM 0 HA VAL A 55 -8.225 6.661 -3.262 1.00 20.01 H new ATOM 0 HB VAL A 55 -5.999 7.625 -2.527 1.00 61.14 H new ATOM 0 HG11 VAL A 55 -4.493 6.233 -1.147 1.00 42.33 H new ATOM 0 HG12 VAL A 55 -5.880 6.874 -0.234 1.00 42.33 H new ATOM 0 HG13 VAL A 55 -5.866 5.172 -0.753 1.00 42.33 H new ATOM 0 HG21 VAL A 55 -4.646 5.784 -3.511 1.00 51.51 H new ATOM 0 HG22 VAL A 55 -6.049 4.700 -3.352 1.00 51.51 H new ATOM 0 HG23 VAL A 55 -6.134 6.113 -4.432 1.00 51.51 H new ATOM 792 N VAL A 56 -9.059 5.162 -0.661 1.00 3.21 N ATOM 793 CA VAL A 56 -9.499 3.967 0.033 1.00 35.34 C ATOM 794 C VAL A 56 -10.904 4.267 0.548 1.00 43.20 C ATOM 795 O VAL A 56 -11.101 4.719 1.676 1.00 20.03 O ATOM 796 CB VAL A 56 -8.428 3.518 1.050 1.00 73.13 C ATOM 797 CG1 VAL A 56 -7.924 4.608 2.013 1.00 74.30 C ATOM 798 CG2 VAL A 56 -8.881 2.261 1.807 1.00 44.22 C ATOM 0 H VAL A 56 -9.323 6.017 -0.171 1.00 3.21 H new ATOM 0 HA VAL A 56 -9.592 3.081 -0.595 1.00 35.34 H new ATOM 0 HB VAL A 56 -7.555 3.280 0.443 1.00 73.13 H new ATOM 0 HG11 VAL A 56 -7.176 4.184 2.683 1.00 74.30 H new ATOM 0 HG12 VAL A 56 -7.479 5.422 1.441 1.00 74.30 H new ATOM 0 HG13 VAL A 56 -8.760 4.991 2.599 1.00 74.30 H new ATOM 0 HG21 VAL A 56 -8.109 1.966 2.517 1.00 44.22 H new ATOM 0 HG22 VAL A 56 -9.806 2.473 2.344 1.00 44.22 H new ATOM 0 HG23 VAL A 56 -9.051 1.451 1.098 1.00 44.22 H new ATOM 808 N THR A 57 -11.886 4.107 -0.335 1.00 64.35 N ATOM 809 CA THR A 57 -13.266 4.485 -0.075 1.00 55.31 C ATOM 810 C THR A 57 -14.268 3.716 -0.944 1.00 71.31 C ATOM 811 O THR A 57 -15.418 3.575 -0.513 1.00 34.15 O ATOM 812 CB THR A 57 -13.380 6.011 -0.254 1.00 52.44 C ATOM 813 OG1 THR A 57 -14.566 6.505 0.349 1.00 21.41 O ATOM 814 CG2 THR A 57 -13.312 6.487 -1.708 1.00 22.31 C ATOM 0 H THR A 57 -11.741 3.706 -1.262 1.00 64.35 H new ATOM 0 HA THR A 57 -13.529 4.213 0.947 1.00 55.31 H new ATOM 0 HB THR A 57 -12.501 6.417 0.246 1.00 52.44 H new ATOM 0 HG1 THR A 57 -14.617 7.476 0.224 1.00 21.41 H new ATOM 0 HG21 THR A 57 -13.400 7.573 -1.740 1.00 22.31 H new ATOM 0 HG22 THR A 57 -12.359 6.187 -2.145 1.00 22.31 H new ATOM 0 HG23 THR A 57 -14.128 6.040 -2.276 1.00 22.31 H new ATOM 822 N SER A 58 -13.847 3.236 -2.123 1.00 1.53 N ATOM 823 CA SER A 58 -14.756 2.641 -3.108 1.00 32.11 C ATOM 824 C SER A 58 -14.178 1.390 -3.769 1.00 23.13 C ATOM 825 O SER A 58 -14.864 0.368 -3.822 1.00 72.44 O ATOM 826 CB SER A 58 -15.146 3.674 -4.168 1.00 74.22 C ATOM 827 OG SER A 58 -15.942 4.710 -3.622 1.00 42.12 O ATOM 0 H SER A 58 -12.871 3.250 -2.418 1.00 1.53 H new ATOM 0 HA SER A 58 -15.647 2.327 -2.565 1.00 32.11 H new ATOM 0 HB2 SER A 58 -14.245 4.101 -4.609 1.00 74.22 H new ATOM 0 HB3 SER A 58 -15.692 3.181 -4.973 1.00 74.22 H new ATOM 0 HG SER A 58 -16.171 5.352 -4.326 1.00 42.12 H new ATOM 832 N ASP A 59 -12.932 1.426 -4.254 1.00 40.25 N ATOM 833 CA ASP A 59 -12.231 0.195 -4.601 1.00 23.23 C ATOM 834 C ASP A 59 -12.025 -0.581 -3.311 1.00 73.41 C ATOM 835 O ASP A 59 -11.347 -0.099 -2.390 1.00 15.20 O ATOM 836 CB ASP A 59 -10.885 0.418 -5.299 1.00 13.24 C ATOM 837 CG ASP A 59 -10.013 -0.849 -5.236 1.00 64.23 C ATOM 838 OD1 ASP A 59 -10.526 -1.983 -5.305 1.00 73.35 O ATOM 839 OD2 ASP A 59 -8.778 -0.713 -5.074 1.00 13.53 O ATOM 0 H ASP A 59 -12.399 2.281 -4.412 1.00 40.25 H new ATOM 0 HA ASP A 59 -12.839 -0.351 -5.322 1.00 23.23 H new ATOM 0 HB2 ASP A 59 -11.053 0.697 -6.339 1.00 13.24 H new ATOM 0 HB3 ASP A 59 -10.360 1.249 -4.827 1.00 13.24 H new ATOM 843 N PHE A 60 -12.619 -1.768 -3.270 1.00 35.30 N ATOM 844 CA PHE A 60 -12.321 -2.788 -2.295 1.00 62.04 C ATOM 845 C PHE A 60 -12.008 -4.125 -2.948 1.00 40.12 C ATOM 846 O PHE A 60 -11.247 -4.889 -2.357 1.00 62.04 O ATOM 847 CB PHE A 60 -13.429 -2.859 -1.249 1.00 74.01 C ATOM 848 CG PHE A 60 -14.831 -3.064 -1.784 1.00 35.13 C ATOM 849 CD1 PHE A 60 -15.242 -4.339 -2.211 1.00 1.33 C ATOM 850 CD2 PHE A 60 -15.755 -2.002 -1.770 1.00 4.24 C ATOM 851 CE1 PHE A 60 -16.561 -4.549 -2.645 1.00 2.32 C ATOM 852 CE2 PHE A 60 -17.085 -2.221 -2.167 1.00 34.10 C ATOM 853 CZ PHE A 60 -17.485 -3.490 -2.616 1.00 32.40 C ATOM 0 H PHE A 60 -13.340 -2.046 -3.936 1.00 35.30 H new ATOM 0 HA PHE A 60 -11.407 -2.513 -1.768 1.00 62.04 H new ATOM 0 HB2 PHE A 60 -13.201 -3.673 -0.561 1.00 74.01 H new ATOM 0 HB3 PHE A 60 -13.414 -1.937 -0.668 1.00 74.01 H new ATOM 0 HD1 PHE A 60 -14.541 -5.160 -2.205 1.00 1.33 H new ATOM 0 HD2 PHE A 60 -15.441 -1.018 -1.454 1.00 4.24 H new ATOM 0 HE1 PHE A 60 -16.865 -5.522 -3.000 1.00 2.32 H new ATOM 0 HE2 PHE A 60 -17.800 -1.413 -2.127 1.00 34.10 H new ATOM 0 HZ PHE A 60 -18.503 -3.652 -2.939 1.00 32.40 H new ATOM 862 N ASP A 61 -12.523 -4.416 -4.144 1.00 44.41 N ATOM 863 CA ASP A 61 -12.289 -5.693 -4.816 1.00 11.14 C ATOM 864 C ASP A 61 -12.127 -5.502 -6.321 1.00 71.14 C ATOM 865 O ASP A 61 -12.555 -6.331 -7.121 1.00 54.15 O ATOM 866 CB ASP A 61 -13.401 -6.691 -4.455 1.00 15.42 C ATOM 867 CG ASP A 61 -13.011 -8.115 -4.845 1.00 13.54 C ATOM 868 OD1 ASP A 61 -11.851 -8.514 -4.576 1.00 21.00 O ATOM 869 OD2 ASP A 61 -13.855 -8.885 -5.345 1.00 41.45 O ATOM 0 H ASP A 61 -13.113 -3.773 -4.672 1.00 44.41 H new ATOM 0 HA ASP A 61 -11.348 -6.116 -4.463 1.00 11.14 H new ATOM 0 HB2 ASP A 61 -13.601 -6.646 -3.384 1.00 15.42 H new ATOM 0 HB3 ASP A 61 -14.324 -6.411 -4.963 1.00 15.42 H new ATOM 873 N GLU A 62 -11.536 -4.382 -6.726 1.00 24.42 N ATOM 874 CA GLU A 62 -11.294 -4.040 -8.119 1.00 13.53 C ATOM 875 C GLU A 62 -9.780 -3.945 -8.345 1.00 0.52 C ATOM 876 O GLU A 62 -9.193 -2.871 -8.176 1.00 44.14 O ATOM 877 CB GLU A 62 -12.077 -2.758 -8.404 1.00 53.22 C ATOM 878 CG GLU A 62 -11.963 -2.284 -9.851 1.00 51.45 C ATOM 879 CD GLU A 62 -13.065 -1.270 -10.118 1.00 64.04 C ATOM 880 OE1 GLU A 62 -13.028 -0.138 -9.581 1.00 12.30 O ATOM 881 OE2 GLU A 62 -14.050 -1.622 -10.804 1.00 74.02 O ATOM 0 H GLU A 62 -11.204 -3.670 -6.075 1.00 24.42 H new ATOM 0 HA GLU A 62 -11.643 -4.793 -8.825 1.00 13.53 H new ATOM 0 HB2 GLU A 62 -13.128 -2.923 -8.166 1.00 53.22 H new ATOM 0 HB3 GLU A 62 -11.720 -1.969 -7.742 1.00 53.22 H new ATOM 0 HG2 GLU A 62 -10.985 -1.835 -10.026 1.00 51.45 H new ATOM 0 HG3 GLU A 62 -12.053 -3.129 -10.534 1.00 51.45 H new ATOM 886 N PRO A 63 -9.077 -5.064 -8.581 1.00 75.33 N ATOM 887 CA PRO A 63 -7.680 -5.023 -8.981 1.00 31.42 C ATOM 888 C PRO A 63 -7.587 -4.641 -10.465 1.00 13.44 C ATOM 889 O PRO A 63 -8.395 -5.081 -11.286 1.00 35.01 O ATOM 890 CB PRO A 63 -7.150 -6.430 -8.709 1.00 60.03 C ATOM 891 CG PRO A 63 -8.376 -7.314 -8.934 1.00 24.41 C ATOM 892 CD PRO A 63 -9.541 -6.441 -8.466 1.00 60.44 C ATOM 0 HA PRO A 63 -7.094 -4.282 -8.437 1.00 31.42 H new ATOM 0 HB2 PRO A 63 -6.336 -6.691 -9.385 1.00 60.03 H new ATOM 0 HB3 PRO A 63 -6.765 -6.526 -7.694 1.00 60.03 H new ATOM 0 HG2 PRO A 63 -8.481 -7.594 -9.982 1.00 24.41 H new ATOM 0 HG3 PRO A 63 -8.313 -8.239 -8.361 1.00 24.41 H new ATOM 0 HD2 PRO A 63 -10.426 -6.608 -9.080 1.00 60.44 H new ATOM 0 HD3 PRO A 63 -9.817 -6.676 -7.438 1.00 60.44 H new ATOM 897 N GLY A 64 -6.570 -3.855 -10.816 1.00 12.54 N ATOM 898 CA GLY A 64 -6.376 -3.371 -12.177 1.00 4.21 C ATOM 899 C GLY A 64 -4.913 -3.160 -12.553 1.00 74.22 C ATOM 900 O GLY A 64 -4.665 -2.613 -13.619 1.00 62.22 O ATOM 0 H GLY A 64 -5.857 -3.536 -10.160 1.00 12.54 H new ATOM 0 HA2 GLY A 64 -6.821 -4.082 -12.873 1.00 4.21 H new ATOM 0 HA3 GLY A 64 -6.912 -2.429 -12.298 1.00 4.21 H new ATOM 904 N ASP A 65 -3.963 -3.575 -11.700 1.00 21.44 N ATOM 905 CA ASP A 65 -2.499 -3.535 -11.868 1.00 55.25 C ATOM 906 C ASP A 65 -1.971 -2.195 -12.404 1.00 21.42 C ATOM 907 O ASP A 65 -1.521 -1.346 -11.629 1.00 15.41 O ATOM 908 CB ASP A 65 -2.054 -4.750 -12.703 1.00 22.40 C ATOM 909 CG ASP A 65 -0.537 -4.970 -12.802 1.00 33.34 C ATOM 910 OD1 ASP A 65 0.261 -4.006 -12.857 1.00 71.33 O ATOM 911 OD2 ASP A 65 -0.128 -6.154 -12.872 1.00 35.01 O ATOM 0 H ASP A 65 -4.219 -3.981 -10.800 1.00 21.44 H new ATOM 0 HA ASP A 65 -2.041 -3.606 -10.881 1.00 55.25 H new ATOM 0 HB2 ASP A 65 -2.506 -5.646 -12.277 1.00 22.40 H new ATOM 0 HB3 ASP A 65 -2.453 -4.641 -13.711 1.00 22.40 H new ATOM 915 N GLU A 66 -2.025 -1.998 -13.718 1.00 64.44 N ATOM 916 CA GLU A 66 -1.551 -0.833 -14.448 1.00 44.23 C ATOM 917 C GLU A 66 -2.522 0.352 -14.333 1.00 51.55 C ATOM 918 O GLU A 66 -2.141 1.500 -14.522 1.00 1.12 O ATOM 919 CB GLU A 66 -1.448 -1.242 -15.925 1.00 60.13 C ATOM 920 CG GLU A 66 -0.481 -0.359 -16.715 1.00 2.50 C ATOM 921 CD GLU A 66 0.946 -0.898 -16.635 1.00 42.11 C ATOM 922 OE1 GLU A 66 1.552 -0.871 -15.543 1.00 33.34 O ATOM 923 OE2 GLU A 66 1.465 -1.375 -17.673 1.00 72.25 O ATOM 0 H GLU A 66 -2.429 -2.698 -14.341 1.00 64.44 H new ATOM 0 HA GLU A 66 -0.594 -0.515 -14.035 1.00 44.23 H new ATOM 0 HB2 GLU A 66 -1.121 -2.280 -15.989 1.00 60.13 H new ATOM 0 HB3 GLU A 66 -2.436 -1.191 -16.382 1.00 60.13 H new ATOM 0 HG2 GLU A 66 -0.797 -0.310 -17.757 1.00 2.50 H new ATOM 0 HG3 GLU A 66 -0.511 0.658 -16.325 1.00 2.50 H new ATOM 928 N ASP A 67 -3.790 0.106 -14.013 1.00 54.11 N ATOM 929 CA ASP A 67 -4.879 1.083 -14.147 1.00 11.32 C ATOM 930 C ASP A 67 -4.626 2.272 -13.222 1.00 52.35 C ATOM 931 O ASP A 67 -4.737 3.446 -13.572 1.00 41.43 O ATOM 932 CB ASP A 67 -6.178 0.367 -13.773 1.00 62.33 C ATOM 933 CG ASP A 67 -7.363 1.316 -13.667 1.00 42.53 C ATOM 934 OD1 ASP A 67 -7.927 1.691 -14.716 1.00 62.11 O ATOM 935 OD2 ASP A 67 -7.799 1.574 -12.523 1.00 60.45 O ATOM 0 H ASP A 67 -4.100 -0.794 -13.646 1.00 54.11 H new ATOM 0 HA ASP A 67 -4.941 1.467 -15.165 1.00 11.32 H new ATOM 0 HB2 ASP A 67 -6.395 -0.397 -14.520 1.00 62.33 H new ATOM 0 HB3 ASP A 67 -6.043 -0.147 -12.821 1.00 62.33 H new ATOM 939 N VAL A 68 -4.168 1.926 -12.030 1.00 51.15 N ATOM 940 CA VAL A 68 -3.839 2.816 -10.946 1.00 53.31 C ATOM 941 C VAL A 68 -2.506 3.550 -11.212 1.00 31.11 C ATOM 942 O VAL A 68 -2.245 4.584 -10.588 1.00 74.13 O ATOM 943 CB VAL A 68 -3.873 1.927 -9.689 1.00 22.01 C ATOM 944 CG1 VAL A 68 -3.415 2.671 -8.431 1.00 15.13 C ATOM 945 CG2 VAL A 68 -5.307 1.428 -9.416 1.00 44.52 C ATOM 0 H VAL A 68 -4.008 0.949 -11.785 1.00 51.15 H new ATOM 0 HA VAL A 68 -4.541 3.641 -10.822 1.00 53.31 H new ATOM 0 HB VAL A 68 -3.193 1.100 -9.893 1.00 22.01 H new ATOM 0 HG11 VAL A 68 -3.458 1.998 -7.574 1.00 15.13 H new ATOM 0 HG12 VAL A 68 -2.391 3.020 -8.567 1.00 15.13 H new ATOM 0 HG13 VAL A 68 -4.069 3.525 -8.255 1.00 15.13 H new ATOM 0 HG21 VAL A 68 -5.311 0.802 -8.524 1.00 44.52 H new ATOM 0 HG22 VAL A 68 -5.966 2.282 -9.262 1.00 44.52 H new ATOM 0 HG23 VAL A 68 -5.659 0.847 -10.269 1.00 44.52 H new ATOM 955 N PHE A 69 -1.684 3.119 -12.180 1.00 71.33 N ATOM 956 CA PHE A 69 -0.568 3.937 -12.649 1.00 33.20 C ATOM 957 C PHE A 69 -1.131 5.173 -13.344 1.00 2.20 C ATOM 958 O PHE A 69 -0.790 6.287 -12.962 1.00 1.23 O ATOM 959 CB PHE A 69 0.380 3.156 -13.570 1.00 15.54 C ATOM 960 CG PHE A 69 1.501 4.009 -14.114 1.00 32.33 C ATOM 961 CD1 PHE A 69 2.706 4.161 -13.402 1.00 11.12 C ATOM 962 CD2 PHE A 69 1.318 4.676 -15.342 1.00 40.51 C ATOM 963 CE1 PHE A 69 3.682 5.037 -13.888 1.00 62.15 C ATOM 964 CE2 PHE A 69 2.310 5.534 -15.837 1.00 35.12 C ATOM 965 CZ PHE A 69 3.476 5.741 -15.089 1.00 51.42 C ATOM 0 H PHE A 69 -1.774 2.216 -12.647 1.00 71.33 H new ATOM 0 HA PHE A 69 0.034 4.239 -11.792 1.00 33.20 H new ATOM 0 HB2 PHE A 69 0.803 2.315 -13.020 1.00 15.54 H new ATOM 0 HB3 PHE A 69 -0.189 2.739 -14.401 1.00 15.54 H new ATOM 0 HD1 PHE A 69 2.875 3.607 -12.490 1.00 11.12 H new ATOM 0 HD2 PHE A 69 0.409 4.525 -15.905 1.00 40.51 H new ATOM 0 HE1 PHE A 69 4.601 5.174 -13.337 1.00 62.15 H new ATOM 0 HE2 PHE A 69 2.176 6.031 -16.787 1.00 35.12 H new ATOM 0 HZ PHE A 69 4.220 6.443 -15.435 1.00 51.42 H new ATOM 974 N ARG A 70 -2.054 4.995 -14.295 1.00 55.34 N ATOM 975 CA ARG A 70 -2.712 6.076 -15.040 1.00 51.42 C ATOM 976 C ARG A 70 -3.367 7.105 -14.106 1.00 51.25 C ATOM 977 O ARG A 70 -3.490 8.287 -14.424 1.00 14.14 O ATOM 978 CB ARG A 70 -3.721 5.415 -16.005 1.00 73.34 C ATOM 979 CG ARG A 70 -3.975 6.173 -17.315 1.00 0.14 C ATOM 980 CD ARG A 70 -5.062 7.235 -17.152 1.00 15.12 C ATOM 981 NE ARG A 70 -5.506 7.800 -18.431 1.00 4.54 N ATOM 982 CZ ARG A 70 -6.454 8.737 -18.547 1.00 62.01 C ATOM 983 NH1 ARG A 70 -7.131 9.147 -17.480 1.00 43.23 N ATOM 984 NH2 ARG A 70 -6.736 9.262 -19.733 1.00 22.22 N ATOM 0 H ARG A 70 -2.374 4.068 -14.577 1.00 55.34 H new ATOM 0 HA ARG A 70 -1.980 6.649 -15.609 1.00 51.42 H new ATOM 0 HB2 ARG A 70 -3.363 4.414 -16.248 1.00 73.34 H new ATOM 0 HB3 ARG A 70 -4.671 5.296 -15.484 1.00 73.34 H new ATOM 0 HG2 ARG A 70 -3.051 6.646 -17.647 1.00 0.14 H new ATOM 0 HG3 ARG A 70 -4.269 5.468 -18.092 1.00 0.14 H new ATOM 0 HD2 ARG A 70 -5.917 6.796 -16.638 1.00 15.12 H new ATOM 0 HD3 ARG A 70 -4.686 8.037 -16.517 1.00 15.12 H new ATOM 0 HE ARG A 70 -5.065 7.457 -19.284 1.00 4.54 H new ATOM 0 HH11 ARG A 70 -6.930 8.747 -16.564 1.00 43.23 H new ATOM 0 HH12 ARG A 70 -7.852 9.862 -17.577 1.00 43.23 H new ATOM 0 HH21 ARG A 70 -6.229 8.951 -20.562 1.00 22.22 H new ATOM 0 HH22 ARG A 70 -7.460 9.976 -19.816 1.00 22.22 H new ATOM 995 N LYS A 71 -3.815 6.661 -12.934 1.00 54.33 N ATOM 996 CA LYS A 71 -4.309 7.501 -11.851 1.00 63.32 C ATOM 997 C LYS A 71 -3.142 8.302 -11.263 1.00 24.12 C ATOM 998 O LYS A 71 -3.125 9.525 -11.392 1.00 34.04 O ATOM 999 CB LYS A 71 -5.031 6.601 -10.836 1.00 44.15 C ATOM 1000 CG LYS A 71 -5.571 7.353 -9.617 1.00 22.24 C ATOM 1001 CD LYS A 71 -6.184 6.360 -8.621 1.00 14.43 C ATOM 1002 CE LYS A 71 -6.391 7.013 -7.253 1.00 73.02 C ATOM 1003 NZ LYS A 71 -7.491 7.991 -7.250 1.00 2.12 N ATOM 0 H LYS A 71 -3.844 5.667 -12.706 1.00 54.33 H new ATOM 0 HA LYS A 71 -5.035 8.237 -12.197 1.00 63.32 H new ATOM 0 HB2 LYS A 71 -5.858 6.097 -11.336 1.00 44.15 H new ATOM 0 HB3 LYS A 71 -4.343 5.826 -10.498 1.00 44.15 H new ATOM 0 HG2 LYS A 71 -4.767 7.912 -9.138 1.00 22.24 H new ATOM 0 HG3 LYS A 71 -6.322 8.079 -9.930 1.00 22.24 H new ATOM 0 HD2 LYS A 71 -7.138 5.998 -9.003 1.00 14.43 H new ATOM 0 HD3 LYS A 71 -5.532 5.492 -8.519 1.00 14.43 H new ATOM 0 HE2 LYS A 71 -6.596 6.239 -6.513 1.00 73.02 H new ATOM 0 HE3 LYS A 71 -5.469 7.509 -6.948 1.00 73.02 H new ATOM 0 HZ1 LYS A 71 -7.587 8.402 -6.300 1.00 2.12 H new ATOM 0 HZ2 LYS A 71 -7.286 8.746 -7.935 1.00 2.12 H new ATOM 0 HZ3 LYS A 71 -8.378 7.516 -7.513 1.00 2.12 H new ATOM 1013 N LEU A 72 -2.164 7.639 -10.634 1.00 62.45 N ATOM 1014 CA LEU A 72 -1.057 8.299 -9.935 1.00 31.22 C ATOM 1015 C LEU A 72 -0.278 9.243 -10.848 1.00 14.54 C ATOM 1016 O LEU A 72 0.034 10.355 -10.435 1.00 31.24 O ATOM 1017 CB LEU A 72 -0.098 7.259 -9.332 1.00 75.23 C ATOM 1018 CG LEU A 72 -0.585 6.723 -7.977 1.00 3.52 C ATOM 1019 CD1 LEU A 72 -0.074 5.303 -7.725 1.00 72.03 C ATOM 1020 CD2 LEU A 72 -0.112 7.639 -6.839 1.00 53.14 C ATOM 0 H LEU A 72 -2.119 6.621 -10.596 1.00 62.45 H new ATOM 0 HA LEU A 72 -1.500 8.894 -9.136 1.00 31.22 H new ATOM 0 HB2 LEU A 72 0.015 6.428 -10.028 1.00 75.23 H new ATOM 0 HB3 LEU A 72 0.888 7.708 -9.208 1.00 75.23 H new ATOM 0 HG LEU A 72 -1.674 6.703 -8.004 1.00 3.52 H new ATOM 0 HD11 LEU A 72 -0.436 4.952 -6.758 1.00 72.03 H new ATOM 0 HD12 LEU A 72 -0.438 4.641 -8.511 1.00 72.03 H new ATOM 0 HD13 LEU A 72 1.016 5.303 -7.726 1.00 72.03 H new ATOM 0 HD21 LEU A 72 -0.465 7.246 -5.885 1.00 53.14 H new ATOM 0 HD22 LEU A 72 0.977 7.680 -6.834 1.00 53.14 H new ATOM 0 HD23 LEU A 72 -0.512 8.642 -6.989 1.00 53.14 H new ATOM 1031 N ALA A 73 0.037 8.810 -12.066 1.00 44.54 N ATOM 1032 CA ALA A 73 0.822 9.562 -13.032 1.00 74.25 C ATOM 1033 C ALA A 73 0.134 10.849 -13.467 1.00 64.32 C ATOM 1034 O ALA A 73 0.825 11.808 -13.806 1.00 31.04 O ATOM 1035 CB ALA A 73 1.083 8.668 -14.242 1.00 31.40 C ATOM 0 H ALA A 73 -0.258 7.898 -12.415 1.00 44.54 H new ATOM 0 HA ALA A 73 1.759 9.856 -12.559 1.00 74.25 H new ATOM 0 HB1 ALA A 73 1.671 9.215 -14.979 1.00 31.40 H new ATOM 0 HB2 ALA A 73 1.631 7.780 -13.927 1.00 31.40 H new ATOM 0 HB3 ALA A 73 0.133 8.370 -14.686 1.00 31.40 H new ATOM 1041 N ALA A 74 -1.200 10.894 -13.456 1.00 13.33 N ATOM 1042 CA ALA A 74 -1.913 12.132 -13.738 1.00 62.22 C ATOM 1043 C ALA A 74 -1.854 13.105 -12.553 1.00 44.23 C ATOM 1044 O ALA A 74 -1.894 14.325 -12.743 1.00 71.01 O ATOM 1045 CB ALA A 74 -3.360 11.784 -14.058 1.00 62.31 C ATOM 0 H ALA A 74 -1.800 10.093 -13.256 1.00 13.33 H new ATOM 0 HA ALA A 74 -1.440 12.630 -14.584 1.00 62.22 H new ATOM 0 HB1 ALA A 74 -3.915 12.697 -14.273 1.00 62.31 H new ATOM 0 HB2 ALA A 74 -3.393 11.127 -14.927 1.00 62.31 H new ATOM 0 HB3 ALA A 74 -3.810 11.279 -13.204 1.00 62.31 H new ATOM 1051 N ASP A 75 -1.786 12.576 -11.330 1.00 52.51 N ATOM 1052 CA ASP A 75 -1.707 13.356 -10.100 1.00 51.35 C ATOM 1053 C ASP A 75 -0.308 13.955 -9.987 1.00 34.43 C ATOM 1054 O ASP A 75 -0.147 15.178 -10.025 1.00 43.45 O ATOM 1055 CB ASP A 75 -2.046 12.494 -8.873 1.00 54.23 C ATOM 1056 CG ASP A 75 -3.453 12.783 -8.353 1.00 40.12 C ATOM 1057 OD1 ASP A 75 -4.445 12.374 -8.996 1.00 53.53 O ATOM 1058 OD2 ASP A 75 -3.553 13.317 -7.227 1.00 31.11 O ATOM 0 H ASP A 75 -1.784 11.569 -11.167 1.00 52.51 H new ATOM 0 HA ASP A 75 -2.442 14.160 -10.133 1.00 51.35 H new ATOM 0 HB2 ASP A 75 -1.964 11.439 -9.135 1.00 54.23 H new ATOM 0 HB3 ASP A 75 -1.320 12.683 -8.083 1.00 54.23 H new ATOM 1062 N LEU A 76 0.719 13.105 -9.879 1.00 60.02 N ATOM 1063 CA LEU A 76 2.116 13.494 -9.758 1.00 22.20 C ATOM 1064 C LEU A 76 2.731 13.847 -11.112 1.00 33.20 C ATOM 1065 O LEU A 76 3.939 13.692 -11.270 1.00 63.52 O ATOM 1066 CB LEU A 76 2.945 12.375 -9.103 1.00 74.44 C ATOM 1067 CG LEU A 76 2.585 11.954 -7.676 1.00 22.41 C ATOM 1068 CD1 LEU A 76 2.089 13.114 -6.806 1.00 51.31 C ATOM 1069 CD2 LEU A 76 1.617 10.777 -7.674 1.00 53.11 C ATOM 0 H LEU A 76 0.589 12.093 -9.874 1.00 60.02 H new ATOM 0 HA LEU A 76 2.138 14.382 -9.126 1.00 22.20 H new ATOM 0 HB2 LEU A 76 2.876 11.492 -9.739 1.00 74.44 H new ATOM 0 HB3 LEU A 76 3.989 12.688 -9.105 1.00 74.44 H new ATOM 0 HG LEU A 76 3.513 11.621 -7.210 1.00 22.41 H new ATOM 0 HD11 LEU A 76 1.852 12.745 -5.808 1.00 51.31 H new ATOM 0 HD12 LEU A 76 2.866 13.875 -6.736 1.00 51.31 H new ATOM 0 HD13 LEU A 76 1.195 13.549 -7.254 1.00 51.31 H new ATOM 0 HD21 LEU A 76 1.381 10.502 -6.646 1.00 53.11 H new ATOM 0 HD22 LEU A 76 0.701 11.058 -8.194 1.00 53.11 H new ATOM 0 HD23 LEU A 76 2.076 9.928 -8.181 1.00 53.11 H new ATOM 1080 N GLU A 77 1.940 14.300 -12.083 1.00 32.03 N ATOM 1081 CA GLU A 77 2.441 14.714 -13.385 1.00 11.13 C ATOM 1082 C GLU A 77 3.415 15.878 -13.156 1.00 34.02 C ATOM 1083 O GLU A 77 3.004 16.962 -12.725 1.00 4.42 O ATOM 1084 CB GLU A 77 1.257 15.021 -14.323 1.00 72.02 C ATOM 1085 CG GLU A 77 1.584 14.780 -15.807 1.00 42.51 C ATOM 1086 CD GLU A 77 0.335 14.407 -16.620 1.00 72.42 C ATOM 1087 OE1 GLU A 77 -0.581 15.251 -16.780 1.00 34.04 O ATOM 1088 OE2 GLU A 77 0.227 13.263 -17.118 1.00 31.41 O ATOM 0 H GLU A 77 0.929 14.389 -11.984 1.00 32.03 H new ATOM 0 HA GLU A 77 2.999 13.928 -13.894 1.00 11.13 H new ATOM 0 HB2 GLU A 77 0.406 14.401 -14.039 1.00 72.02 H new ATOM 0 HB3 GLU A 77 0.954 16.059 -14.188 1.00 72.02 H new ATOM 0 HG2 GLU A 77 2.036 15.678 -16.229 1.00 42.51 H new ATOM 0 HG3 GLU A 77 2.322 13.982 -15.890 1.00 42.51 H new ATOM 1093 N GLY A 78 4.715 15.611 -13.305 1.00 35.34 N ATOM 1094 CA GLY A 78 5.810 16.540 -13.058 1.00 52.34 C ATOM 1095 C GLY A 78 6.474 16.385 -11.683 1.00 23.23 C ATOM 1096 O GLY A 78 7.443 17.096 -11.403 1.00 54.32 O ATOM 0 H GLY A 78 5.043 14.697 -13.616 1.00 35.34 H new ATOM 0 HA2 GLY A 78 6.567 16.405 -13.831 1.00 52.34 H new ATOM 0 HA3 GLY A 78 5.435 17.559 -13.154 1.00 52.34 H new ATOM 1100 N LYS A 79 5.990 15.496 -10.808 1.00 12.42 N ATOM 1101 CA LYS A 79 6.478 15.323 -9.429 1.00 42.41 C ATOM 1102 C LYS A 79 7.123 13.959 -9.235 1.00 61.15 C ATOM 1103 O LYS A 79 8.108 13.867 -8.513 1.00 52.42 O ATOM 1104 CB LYS A 79 5.376 15.519 -8.364 1.00 44.43 C ATOM 1105 CG LYS A 79 4.265 16.523 -8.697 1.00 32.43 C ATOM 1106 CD LYS A 79 4.767 17.951 -8.920 1.00 3.32 C ATOM 1107 CE LYS A 79 4.783 18.770 -7.625 1.00 24.33 C ATOM 1108 NZ LYS A 79 5.090 20.191 -7.886 1.00 20.30 N ATOM 0 H LYS A 79 5.228 14.859 -11.042 1.00 12.42 H new ATOM 0 HA LYS A 79 7.223 16.106 -9.286 1.00 42.41 H new ATOM 0 HB2 LYS A 79 4.913 14.551 -8.172 1.00 44.43 H new ATOM 0 HB3 LYS A 79 5.852 15.835 -7.436 1.00 44.43 H new ATOM 0 HG2 LYS A 79 3.742 16.188 -9.593 1.00 32.43 H new ATOM 0 HG3 LYS A 79 3.537 16.527 -7.886 1.00 32.43 H new ATOM 0 HD2 LYS A 79 5.772 17.919 -9.340 1.00 3.32 H new ATOM 0 HD3 LYS A 79 4.131 18.447 -9.653 1.00 3.32 H new ATOM 0 HE2 LYS A 79 3.814 18.691 -7.131 1.00 24.33 H new ATOM 0 HE3 LYS A 79 5.524 18.356 -6.941 1.00 24.33 H new ATOM 0 HZ1 LYS A 79 5.093 20.716 -6.988 1.00 20.30 H new ATOM 0 HZ2 LYS A 79 6.025 20.267 -8.335 1.00 20.30 H new ATOM 0 HZ3 LYS A 79 4.369 20.591 -8.519 1.00 20.30 H new ATOM 1118 N ALA A 80 6.569 12.904 -9.832 1.00 22.13 N ATOM 1119 CA ALA A 80 7.099 11.561 -9.792 1.00 41.03 C ATOM 1120 C ALA A 80 6.916 11.035 -11.208 1.00 24.23 C ATOM 1121 O ALA A 80 5.820 11.120 -11.762 1.00 42.03 O ATOM 1122 CB ALA A 80 6.327 10.750 -8.747 1.00 13.31 C ATOM 0 H ALA A 80 5.708 12.974 -10.374 1.00 22.13 H new ATOM 0 HA ALA A 80 8.148 11.503 -9.500 1.00 41.03 H new ATOM 0 HB1 ALA A 80 6.721 9.734 -8.711 1.00 13.31 H new ATOM 0 HB2 ALA A 80 6.438 11.218 -7.769 1.00 13.31 H new ATOM 0 HB3 ALA A 80 5.271 10.720 -9.017 1.00 13.31 H new ATOM 1128 N ASP A 81 7.999 10.578 -11.821 1.00 4.02 N ATOM 1129 CA ASP A 81 7.965 9.964 -13.148 1.00 51.32 C ATOM 1130 C ASP A 81 7.415 8.550 -13.054 1.00 75.23 C ATOM 1131 O ASP A 81 7.197 8.026 -11.955 1.00 12.31 O ATOM 1132 CB ASP A 81 9.369 9.870 -13.752 1.00 12.23 C ATOM 1133 CG ASP A 81 9.897 11.224 -14.177 1.00 61.51 C ATOM 1134 OD1 ASP A 81 9.379 11.790 -15.160 1.00 13.22 O ATOM 1135 OD2 ASP A 81 10.897 11.702 -13.603 1.00 60.35 O ATOM 0 H ASP A 81 8.933 10.621 -11.412 1.00 4.02 H new ATOM 0 HA ASP A 81 7.332 10.590 -13.777 1.00 51.32 H new ATOM 0 HB2 ASP A 81 10.048 9.429 -13.023 1.00 12.23 H new ATOM 0 HB3 ASP A 81 9.349 9.202 -14.613 1.00 12.23 H new ATOM 1139 N GLU A 82 7.307 7.910 -14.222 1.00 53.25 N ATOM 1140 CA GLU A 82 6.885 6.536 -14.377 1.00 63.33 C ATOM 1141 C GLU A 82 7.656 5.649 -13.417 1.00 15.11 C ATOM 1142 O GLU A 82 7.064 5.000 -12.556 1.00 33.34 O ATOM 1143 CB GLU A 82 7.017 6.123 -15.858 1.00 43.32 C ATOM 1144 CG GLU A 82 6.601 4.677 -16.199 1.00 40.45 C ATOM 1145 CD GLU A 82 7.666 3.596 -15.971 1.00 13.32 C ATOM 1146 OE1 GLU A 82 8.875 3.896 -16.081 1.00 61.52 O ATOM 1147 OE2 GLU A 82 7.270 2.428 -15.747 1.00 54.43 O ATOM 0 H GLU A 82 7.521 8.361 -15.111 1.00 53.25 H new ATOM 0 HA GLU A 82 5.833 6.419 -14.116 1.00 63.33 H new ATOM 0 HB2 GLU A 82 6.415 6.804 -16.459 1.00 43.32 H new ATOM 0 HB3 GLU A 82 8.054 6.262 -16.162 1.00 43.32 H new ATOM 0 HG2 GLU A 82 5.723 4.424 -15.605 1.00 40.45 H new ATOM 0 HG3 GLU A 82 6.298 4.645 -17.246 1.00 40.45 H new ATOM 1152 N GLU A 83 8.978 5.734 -13.513 1.00 52.03 N ATOM 1153 CA GLU A 83 9.957 5.098 -12.664 1.00 34.14 C ATOM 1154 C GLU A 83 9.598 5.240 -11.184 1.00 43.04 C ATOM 1155 O GLU A 83 9.590 4.248 -10.460 1.00 21.41 O ATOM 1156 CB GLU A 83 11.306 5.757 -12.988 1.00 64.25 C ATOM 1157 CG GLU A 83 12.376 5.496 -11.928 1.00 23.30 C ATOM 1158 CD GLU A 83 13.716 6.048 -12.388 1.00 41.33 C ATOM 1159 OE1 GLU A 83 13.894 7.285 -12.380 1.00 43.31 O ATOM 1160 OE2 GLU A 83 14.613 5.236 -12.696 1.00 34.34 O ATOM 0 H GLU A 83 9.418 6.293 -14.244 1.00 52.03 H new ATOM 0 HA GLU A 83 9.996 4.025 -12.852 1.00 34.14 H new ATOM 0 HB2 GLU A 83 11.661 5.389 -13.951 1.00 64.25 H new ATOM 0 HB3 GLU A 83 11.162 6.832 -13.092 1.00 64.25 H new ATOM 0 HG2 GLU A 83 12.086 5.962 -10.986 1.00 23.30 H new ATOM 0 HG3 GLU A 83 12.460 4.425 -11.741 1.00 23.30 H new ATOM 1165 N THR A 84 9.361 6.463 -10.718 1.00 73.51 N ATOM 1166 CA THR A 84 9.234 6.804 -9.312 1.00 32.13 C ATOM 1167 C THR A 84 7.919 6.261 -8.739 1.00 54.04 C ATOM 1168 O THR A 84 7.885 5.669 -7.659 1.00 32.42 O ATOM 1169 CB THR A 84 9.273 8.339 -9.214 1.00 71.44 C ATOM 1170 OG1 THR A 84 10.143 8.948 -10.150 1.00 71.13 O ATOM 1171 CG2 THR A 84 9.598 8.827 -7.806 1.00 3.33 C ATOM 0 H THR A 84 9.249 7.269 -11.333 1.00 73.51 H new ATOM 0 HA THR A 84 10.044 6.359 -8.734 1.00 32.13 H new ATOM 0 HB THR A 84 8.259 8.652 -9.464 1.00 71.44 H new ATOM 0 HG1 THR A 84 10.242 9.899 -9.934 1.00 71.13 H new ATOM 0 HG21 THR A 84 9.613 9.917 -7.793 1.00 3.33 H new ATOM 0 HG22 THR A 84 8.839 8.466 -7.112 1.00 3.33 H new ATOM 0 HG23 THR A 84 10.575 8.447 -7.506 1.00 3.33 H new ATOM 1179 N ILE A 85 6.821 6.449 -9.469 1.00 12.32 N ATOM 1180 CA ILE A 85 5.500 5.936 -9.151 1.00 75.15 C ATOM 1181 C ILE A 85 5.562 4.420 -9.065 1.00 2.13 C ATOM 1182 O ILE A 85 5.183 3.850 -8.039 1.00 64.55 O ATOM 1183 CB ILE A 85 4.542 6.381 -10.261 1.00 63.22 C ATOM 1184 CG1 ILE A 85 4.437 7.925 -10.264 1.00 61.51 C ATOM 1185 CG2 ILE A 85 3.142 5.748 -10.111 1.00 52.55 C ATOM 1186 CD1 ILE A 85 3.769 8.474 -11.522 1.00 73.02 C ATOM 0 H ILE A 85 6.834 6.987 -10.335 1.00 12.32 H new ATOM 0 HA ILE A 85 5.149 6.318 -8.193 1.00 75.15 H new ATOM 0 HB ILE A 85 4.948 6.036 -11.212 1.00 63.22 H new ATOM 0 HG12 ILE A 85 3.872 8.247 -9.389 1.00 61.51 H new ATOM 0 HG13 ILE A 85 5.436 8.352 -10.174 1.00 61.51 H new ATOM 0 HG21 ILE A 85 2.498 6.093 -10.920 1.00 52.55 H new ATOM 0 HG22 ILE A 85 3.227 4.662 -10.153 1.00 52.55 H new ATOM 0 HG23 ILE A 85 2.711 6.041 -9.154 1.00 52.55 H new ATOM 0 HD11 ILE A 85 3.725 9.562 -11.465 1.00 73.02 H new ATOM 0 HD12 ILE A 85 4.346 8.180 -12.398 1.00 73.02 H new ATOM 0 HD13 ILE A 85 2.758 8.073 -11.602 1.00 73.02 H new ATOM 1197 N ARG A 86 6.021 3.764 -10.135 1.00 23.51 N ATOM 1198 CA ARG A 86 6.169 2.318 -10.162 1.00 52.11 C ATOM 1199 C ARG A 86 7.125 1.867 -9.069 1.00 3.43 C ATOM 1200 O ARG A 86 6.964 0.754 -8.583 1.00 21.33 O ATOM 1201 CB ARG A 86 6.617 1.854 -11.560 1.00 20.40 C ATOM 1202 CG ARG A 86 5.434 1.401 -12.426 1.00 63.22 C ATOM 1203 CD ARG A 86 5.346 -0.127 -12.499 1.00 23.20 C ATOM 1204 NE ARG A 86 6.271 -0.656 -13.514 1.00 21.33 N ATOM 1205 CZ ARG A 86 5.968 -1.529 -14.483 1.00 74.41 C ATOM 1206 NH1 ARG A 86 4.772 -2.103 -14.560 1.00 21.00 N ATOM 1207 NH2 ARG A 86 6.888 -1.842 -15.379 1.00 55.12 N ATOM 0 H ARG A 86 6.298 4.225 -11.002 1.00 23.51 H new ATOM 0 HA ARG A 86 5.205 1.851 -9.961 1.00 52.11 H new ATOM 0 HB2 ARG A 86 7.141 2.668 -12.061 1.00 20.40 H new ATOM 0 HB3 ARG A 86 7.327 1.033 -11.459 1.00 20.40 H new ATOM 0 HG2 ARG A 86 4.507 1.801 -12.016 1.00 63.22 H new ATOM 0 HG3 ARG A 86 5.540 1.809 -13.431 1.00 63.22 H new ATOM 0 HD2 ARG A 86 5.583 -0.556 -11.526 1.00 23.20 H new ATOM 0 HD3 ARG A 86 4.326 -0.426 -12.739 1.00 23.20 H new ATOM 0 HE ARG A 86 7.235 -0.326 -13.476 1.00 21.33 H new ATOM 0 HH11 ARG A 86 4.055 -1.882 -13.869 1.00 21.00 H new ATOM 0 HH12 ARG A 86 4.571 -2.764 -15.310 1.00 21.00 H new ATOM 0 HH21 ARG A 86 7.815 -1.420 -15.327 1.00 55.12 H new ATOM 0 HH22 ARG A 86 6.671 -2.506 -16.123 1.00 55.12 H new ATOM 1218 N ALA A 87 8.073 2.699 -8.642 1.00 3.23 N ATOM 1219 CA ALA A 87 8.970 2.327 -7.548 1.00 64.11 C ATOM 1220 C ALA A 87 8.180 2.236 -6.245 1.00 22.41 C ATOM 1221 O ALA A 87 8.091 1.160 -5.665 1.00 62.54 O ATOM 1222 CB ALA A 87 10.171 3.273 -7.415 1.00 44.43 C ATOM 0 H ALA A 87 8.240 3.627 -9.032 1.00 3.23 H new ATOM 0 HA ALA A 87 9.390 1.348 -7.780 1.00 64.11 H new ATOM 0 HB1 ALA A 87 10.801 2.947 -6.587 1.00 44.43 H new ATOM 0 HB2 ALA A 87 10.750 3.259 -8.339 1.00 44.43 H new ATOM 0 HB3 ALA A 87 9.817 4.286 -7.224 1.00 44.43 H new ATOM 1228 N LYS A 88 7.534 3.324 -5.813 1.00 31.11 N ATOM 1229 CA LYS A 88 6.744 3.316 -4.575 1.00 54.13 C ATOM 1230 C LYS A 88 5.641 2.277 -4.630 1.00 60.25 C ATOM 1231 O LYS A 88 5.322 1.663 -3.618 1.00 61.33 O ATOM 1232 CB LYS A 88 6.134 4.693 -4.299 1.00 53.31 C ATOM 1233 CG LYS A 88 7.193 5.734 -3.902 1.00 21.40 C ATOM 1234 CD LYS A 88 7.118 6.140 -2.418 1.00 32.34 C ATOM 1235 CE LYS A 88 7.505 5.067 -1.394 1.00 74.11 C ATOM 1236 NZ LYS A 88 7.301 5.548 -0.006 1.00 24.53 N ATOM 0 H LYS A 88 7.542 4.220 -6.300 1.00 31.11 H new ATOM 0 HA LYS A 88 7.426 3.061 -3.764 1.00 54.13 H new ATOM 0 HB2 LYS A 88 5.605 5.038 -5.187 1.00 53.31 H new ATOM 0 HB3 LYS A 88 5.396 4.607 -3.502 1.00 53.31 H new ATOM 0 HG2 LYS A 88 8.184 5.333 -4.113 1.00 21.40 H new ATOM 0 HG3 LYS A 88 7.070 6.622 -4.522 1.00 21.40 H new ATOM 0 HD2 LYS A 88 7.765 7.004 -2.268 1.00 32.34 H new ATOM 0 HD3 LYS A 88 6.099 6.464 -2.204 1.00 32.34 H new ATOM 0 HE2 LYS A 88 6.909 4.170 -1.561 1.00 74.11 H new ATOM 0 HE3 LYS A 88 8.549 4.787 -1.534 1.00 74.11 H new ATOM 0 HZ1 LYS A 88 7.572 4.800 0.664 1.00 24.53 H new ATOM 0 HZ2 LYS A 88 7.889 6.390 0.159 1.00 24.53 H new ATOM 0 HZ3 LYS A 88 6.300 5.792 0.133 1.00 24.53 H new ATOM 1246 N MET A 89 5.021 2.085 -5.789 1.00 73.14 N ATOM 1247 CA MET A 89 4.020 1.054 -5.992 1.00 42.15 C ATOM 1248 C MET A 89 4.604 -0.323 -5.665 1.00 33.33 C ATOM 1249 O MET A 89 4.002 -1.038 -4.866 1.00 53.31 O ATOM 1250 CB MET A 89 3.438 1.229 -7.401 1.00 71.53 C ATOM 1251 CG MET A 89 2.636 0.049 -7.942 1.00 75.34 C ATOM 1252 SD MET A 89 3.657 -1.155 -8.830 1.00 73.22 S ATOM 1253 CE MET A 89 2.753 -1.290 -10.396 1.00 2.21 C ATOM 0 H MET A 89 5.204 2.648 -6.620 1.00 73.14 H new ATOM 0 HA MET A 89 3.179 1.145 -5.305 1.00 42.15 H new ATOM 0 HB2 MET A 89 2.796 2.110 -7.401 1.00 71.53 H new ATOM 0 HB3 MET A 89 4.258 1.432 -8.089 1.00 71.53 H new ATOM 0 HG2 MET A 89 2.132 -0.451 -7.114 1.00 75.34 H new ATOM 0 HG3 MET A 89 1.859 0.421 -8.610 1.00 75.34 H new ATOM 0 HE1 MET A 89 3.262 -1.998 -11.050 1.00 2.21 H new ATOM 0 HE2 MET A 89 1.739 -1.640 -10.202 1.00 2.21 H new ATOM 0 HE3 MET A 89 2.714 -0.314 -10.879 1.00 2.21 H new ATOM 1261 N VAL A 90 5.772 -0.684 -6.194 1.00 22.24 N ATOM 1262 CA VAL A 90 6.454 -1.923 -5.840 1.00 44.43 C ATOM 1263 C VAL A 90 6.791 -1.936 -4.346 1.00 31.34 C ATOM 1264 O VAL A 90 6.338 -2.820 -3.617 1.00 64.33 O ATOM 1265 CB VAL A 90 7.703 -2.087 -6.725 1.00 62.23 C ATOM 1266 CG1 VAL A 90 8.629 -3.174 -6.175 1.00 34.34 C ATOM 1267 CG2 VAL A 90 7.310 -2.439 -8.162 1.00 60.42 C ATOM 0 H VAL A 90 6.272 -0.122 -6.883 1.00 22.24 H new ATOM 0 HA VAL A 90 5.800 -2.776 -6.023 1.00 44.43 H new ATOM 0 HB VAL A 90 8.232 -1.134 -6.720 1.00 62.23 H new ATOM 0 HG11 VAL A 90 9.503 -3.268 -6.820 1.00 34.34 H new ATOM 0 HG12 VAL A 90 8.948 -2.905 -5.168 1.00 34.34 H new ATOM 0 HG13 VAL A 90 8.096 -4.125 -6.145 1.00 34.34 H new ATOM 0 HG21 VAL A 90 8.209 -2.550 -8.768 1.00 60.42 H new ATOM 0 HG22 VAL A 90 6.751 -3.375 -8.167 1.00 60.42 H new ATOM 0 HG23 VAL A 90 6.690 -1.643 -8.575 1.00 60.42 H new ATOM 1277 N GLU A 91 7.575 -0.964 -3.879 1.00 55.34 N ATOM 1278 CA GLU A 91 8.213 -0.949 -2.562 1.00 14.14 C ATOM 1279 C GLU A 91 7.218 -0.836 -1.404 1.00 54.41 C ATOM 1280 O GLU A 91 7.609 -0.859 -0.238 1.00 54.34 O ATOM 1281 CB GLU A 91 9.230 0.197 -2.506 1.00 2.11 C ATOM 1282 CG GLU A 91 10.460 -0.088 -3.375 1.00 24.20 C ATOM 1283 CD GLU A 91 11.460 1.055 -3.241 1.00 51.04 C ATOM 1284 OE1 GLU A 91 12.228 1.077 -2.252 1.00 24.53 O ATOM 1285 OE2 GLU A 91 11.426 1.991 -4.071 1.00 53.31 O ATOM 0 H GLU A 91 7.792 -0.133 -4.429 1.00 55.34 H new ATOM 0 HA GLU A 91 8.713 -1.909 -2.435 1.00 14.14 H new ATOM 0 HB2 GLU A 91 8.756 1.120 -2.840 1.00 2.11 H new ATOM 0 HB3 GLU A 91 9.543 0.354 -1.474 1.00 2.11 H new ATOM 0 HG2 GLU A 91 10.923 -1.027 -3.070 1.00 24.20 H new ATOM 0 HG3 GLU A 91 10.162 -0.203 -4.417 1.00 24.20 H new ATOM 1290 N LEU A 92 5.923 -0.731 -1.696 1.00 40.14 N ATOM 1291 CA LEU A 92 4.856 -0.672 -0.712 1.00 31.30 C ATOM 1292 C LEU A 92 3.936 -1.881 -0.796 1.00 71.53 C ATOM 1293 O LEU A 92 3.146 -2.097 0.117 1.00 20.54 O ATOM 1294 CB LEU A 92 4.072 0.622 -0.924 1.00 12.44 C ATOM 1295 CG LEU A 92 4.867 1.880 -0.495 1.00 51.21 C ATOM 1296 CD1 LEU A 92 4.045 3.116 -0.852 1.00 53.34 C ATOM 1297 CD2 LEU A 92 5.224 1.921 0.993 1.00 52.12 C ATOM 0 H LEU A 92 5.582 -0.683 -2.656 1.00 40.14 H new ATOM 0 HA LEU A 92 5.295 -0.686 0.286 1.00 31.30 H new ATOM 0 HB2 LEU A 92 3.801 0.710 -1.976 1.00 12.44 H new ATOM 0 HB3 LEU A 92 3.141 0.575 -0.358 1.00 12.44 H new ATOM 0 HG LEU A 92 5.816 1.852 -1.030 1.00 51.21 H new ATOM 0 HD11 LEU A 92 4.590 4.013 -0.557 1.00 53.34 H new ATOM 0 HD12 LEU A 92 3.867 3.137 -1.927 1.00 53.34 H new ATOM 0 HD13 LEU A 92 3.090 3.082 -0.327 1.00 53.34 H new ATOM 0 HD21 LEU A 92 5.779 2.834 1.209 1.00 52.12 H new ATOM 0 HD22 LEU A 92 4.310 1.903 1.587 1.00 52.12 H new ATOM 0 HD23 LEU A 92 5.837 1.055 1.244 1.00 52.12 H new ATOM 1308 N ARG A 93 4.012 -2.684 -1.855 1.00 15.40 N ATOM 1309 CA ARG A 93 3.177 -3.864 -2.046 1.00 40.22 C ATOM 1310 C ARG A 93 3.657 -4.978 -1.124 1.00 72.44 C ATOM 1311 O ARG A 93 2.981 -5.304 -0.142 1.00 73.43 O ATOM 1312 CB ARG A 93 3.248 -4.258 -3.531 1.00 22.41 C ATOM 1313 CG ARG A 93 2.018 -3.898 -4.361 1.00 34.04 C ATOM 1314 CD ARG A 93 1.352 -2.545 -4.088 1.00 35.32 C ATOM 1315 NE ARG A 93 0.489 -2.222 -5.234 1.00 24.44 N ATOM 1316 CZ ARG A 93 -0.517 -1.349 -5.257 1.00 24.41 C ATOM 1317 NH1 ARG A 93 -0.708 -0.513 -4.249 1.00 62.31 N ATOM 1318 NH2 ARG A 93 -1.344 -1.294 -6.291 1.00 22.30 N ATOM 0 H ARG A 93 4.670 -2.528 -2.619 1.00 15.40 H new ATOM 0 HA ARG A 93 2.136 -3.666 -1.790 1.00 40.22 H new ATOM 0 HB2 ARG A 93 4.120 -3.778 -3.976 1.00 22.41 H new ATOM 0 HB3 ARG A 93 3.408 -5.334 -3.597 1.00 22.41 H new ATOM 0 HG2 ARG A 93 2.302 -3.927 -5.413 1.00 34.04 H new ATOM 0 HG3 ARG A 93 1.271 -4.677 -4.211 1.00 34.04 H new ATOM 0 HD2 ARG A 93 0.766 -2.587 -3.170 1.00 35.32 H new ATOM 0 HD3 ARG A 93 2.106 -1.770 -3.949 1.00 35.32 H new ATOM 0 HE ARG A 93 0.681 -2.719 -6.104 1.00 24.44 H new ATOM 0 HH11 ARG A 93 -0.082 -0.533 -3.444 1.00 62.31 H new ATOM 0 HH12 ARG A 93 -1.481 0.151 -4.277 1.00 62.31 H new ATOM 0 HH21 ARG A 93 -1.214 -1.925 -7.082 1.00 22.30 H new ATOM 0 HH22 ARG A 93 -2.110 -0.621 -6.296 1.00 22.30 H new ATOM 1329 N ALA A 94 4.828 -5.551 -1.417 1.00 13.13 N ATOM 1330 CA ALA A 94 5.371 -6.652 -0.632 1.00 73.31 C ATOM 1331 C ALA A 94 5.664 -6.197 0.806 1.00 74.42 C ATOM 1332 O ALA A 94 5.544 -6.993 1.738 1.00 75.34 O ATOM 1333 CB ALA A 94 6.610 -7.215 -1.333 1.00 4.24 C ATOM 0 H ALA A 94 5.418 -5.265 -2.198 1.00 13.13 H new ATOM 0 HA ALA A 94 4.636 -7.454 -0.561 1.00 73.31 H new ATOM 0 HB1 ALA A 94 7.017 -8.039 -0.747 1.00 4.24 H new ATOM 0 HB2 ALA A 94 6.335 -7.576 -2.324 1.00 4.24 H new ATOM 0 HB3 ALA A 94 7.362 -6.431 -1.428 1.00 4.24 H new ATOM 1339 N THR A 95 5.963 -4.911 0.999 1.00 1.22 N ATOM 1340 CA THR A 95 6.065 -4.259 2.298 1.00 20.30 C ATOM 1341 C THR A 95 4.724 -4.327 3.026 1.00 0.11 C ATOM 1342 O THR A 95 4.675 -4.971 4.067 1.00 53.45 O ATOM 1343 CB THR A 95 6.569 -2.821 2.125 1.00 21.54 C ATOM 1344 OG1 THR A 95 7.776 -2.870 1.398 1.00 20.10 O ATOM 1345 CG2 THR A 95 6.835 -2.110 3.452 1.00 74.41 C ATOM 0 H THR A 95 6.147 -4.275 0.223 1.00 1.22 H new ATOM 0 HA THR A 95 6.793 -4.783 2.918 1.00 20.30 H new ATOM 0 HB THR A 95 5.791 -2.258 1.609 1.00 21.54 H new ATOM 0 HG1 THR A 95 7.762 -2.188 0.695 1.00 20.10 H new ATOM 0 HG21 THR A 95 7.189 -1.098 3.258 1.00 74.41 H new ATOM 0 HG22 THR A 95 5.914 -2.067 4.033 1.00 74.41 H new ATOM 0 HG23 THR A 95 7.592 -2.658 4.013 1.00 74.41 H new ATOM 1353 N ALA A 96 3.638 -3.736 2.496 1.00 53.12 N ATOM 1354 CA ALA A 96 2.337 -3.680 3.170 1.00 35.50 C ATOM 1355 C ALA A 96 1.877 -5.060 3.639 1.00 33.42 C ATOM 1356 O ALA A 96 1.341 -5.185 4.738 1.00 75.20 O ATOM 1357 CB ALA A 96 1.266 -3.073 2.256 1.00 2.33 C ATOM 0 H ALA A 96 3.643 -3.282 1.582 1.00 53.12 H new ATOM 0 HA ALA A 96 2.468 -3.043 4.045 1.00 35.50 H new ATOM 0 HB1 ALA A 96 0.312 -3.044 2.783 1.00 2.33 H new ATOM 0 HB2 ALA A 96 1.557 -2.060 1.977 1.00 2.33 H new ATOM 0 HB3 ALA A 96 1.166 -3.682 1.358 1.00 2.33 H new ATOM 1363 N ARG A 97 2.101 -6.094 2.821 1.00 74.43 N ATOM 1364 CA ARG A 97 1.777 -7.478 3.130 1.00 35.43 C ATOM 1365 C ARG A 97 2.377 -7.896 4.477 1.00 54.31 C ATOM 1366 O ARG A 97 1.688 -8.523 5.282 1.00 2.01 O ATOM 1367 CB ARG A 97 2.269 -8.325 1.935 1.00 75.21 C ATOM 1368 CG ARG A 97 2.262 -9.830 2.224 1.00 73.45 C ATOM 1369 CD ARG A 97 2.756 -10.695 1.054 1.00 64.53 C ATOM 1370 NE ARG A 97 4.220 -10.665 0.893 1.00 4.32 N ATOM 1371 CZ ARG A 97 4.978 -11.686 0.469 1.00 2.14 C ATOM 1372 NH1 ARG A 97 4.436 -12.782 -0.056 1.00 24.34 N ATOM 1373 NH2 ARG A 97 6.293 -11.593 0.600 1.00 21.22 N ATOM 0 H ARG A 97 2.525 -5.980 1.900 1.00 74.43 H new ATOM 0 HA ARG A 97 0.704 -7.628 3.253 1.00 35.43 H new ATOM 0 HB2 ARG A 97 1.637 -8.124 1.070 1.00 75.21 H new ATOM 0 HB3 ARG A 97 3.280 -8.016 1.670 1.00 75.21 H new ATOM 0 HG2 ARG A 97 2.887 -10.025 3.095 1.00 73.45 H new ATOM 0 HG3 ARG A 97 1.248 -10.135 2.485 1.00 73.45 H new ATOM 0 HD2 ARG A 97 2.434 -11.725 1.210 1.00 64.53 H new ATOM 0 HD3 ARG A 97 2.288 -10.351 0.132 1.00 64.53 H new ATOM 0 HE ARG A 97 4.697 -9.794 1.124 1.00 4.32 H new ATOM 0 HH11 ARG A 97 3.423 -12.858 -0.143 1.00 24.34 H new ATOM 0 HH12 ARG A 97 5.034 -13.546 -0.372 1.00 24.34 H new ATOM 0 HH21 ARG A 97 6.706 -10.758 1.016 1.00 21.22 H new ATOM 0 HH22 ARG A 97 6.892 -12.356 0.285 1.00 21.22 H new ATOM 1384 N GLU A 98 3.645 -7.570 4.711 1.00 40.12 N ATOM 1385 CA GLU A 98 4.393 -7.939 5.898 1.00 54.22 C ATOM 1386 C GLU A 98 4.146 -6.938 7.036 1.00 72.14 C ATOM 1387 O GLU A 98 3.943 -7.349 8.177 1.00 75.31 O ATOM 1388 CB GLU A 98 5.863 -8.049 5.477 1.00 24.43 C ATOM 1389 CG GLU A 98 6.704 -8.889 6.437 1.00 72.22 C ATOM 1390 CD GLU A 98 7.140 -8.110 7.675 1.00 21.52 C ATOM 1391 OE1 GLU A 98 7.881 -7.112 7.530 1.00 54.03 O ATOM 1392 OE2 GLU A 98 6.758 -8.500 8.798 1.00 34.44 O ATOM 0 H GLU A 98 4.196 -7.021 4.051 1.00 40.12 H new ATOM 0 HA GLU A 98 4.068 -8.898 6.302 1.00 54.22 H new ATOM 0 HB2 GLU A 98 5.917 -8.486 4.480 1.00 24.43 H new ATOM 0 HB3 GLU A 98 6.291 -7.049 5.410 1.00 24.43 H new ATOM 0 HG2 GLU A 98 6.131 -9.763 6.746 1.00 72.22 H new ATOM 0 HG3 GLU A 98 7.587 -9.256 5.914 1.00 72.22 H new ATOM 1397 N GLN A 99 4.041 -5.640 6.726 1.00 31.22 N ATOM 1398 CA GLN A 99 3.688 -4.572 7.649 1.00 61.32 C ATOM 1399 C GLN A 99 2.400 -4.856 8.421 1.00 54.22 C ATOM 1400 O GLN A 99 2.208 -4.301 9.503 1.00 73.12 O ATOM 1401 CB GLN A 99 3.534 -3.245 6.874 1.00 75.42 C ATOM 1402 CG GLN A 99 4.624 -2.241 7.245 1.00 64.30 C ATOM 1403 CD GLN A 99 4.232 -0.787 6.961 1.00 42.44 C ATOM 1404 OE1 GLN A 99 3.110 -0.361 7.241 1.00 64.53 O ATOM 1405 NE2 GLN A 99 5.133 0.005 6.407 1.00 3.35 N ATOM 0 H GLN A 99 4.209 -5.298 5.780 1.00 31.22 H new ATOM 0 HA GLN A 99 4.496 -4.502 8.377 1.00 61.32 H new ATOM 0 HB2 GLN A 99 3.572 -3.443 5.803 1.00 75.42 H new ATOM 0 HB3 GLN A 99 2.555 -2.813 7.084 1.00 75.42 H new ATOM 0 HG2 GLN A 99 4.860 -2.346 8.304 1.00 64.30 H new ATOM 0 HG3 GLN A 99 5.532 -2.480 6.691 1.00 64.30 H new ATOM 0 HE21 GLN A 99 6.059 -0.357 6.179 1.00 3.35 H new ATOM 0 HE22 GLN A 99 4.903 0.978 6.207 1.00 3.35 H new ATOM 1412 N ILE A 100 1.498 -5.689 7.897 1.00 73.20 N ATOM 1413 CA ILE A 100 0.351 -6.152 8.661 1.00 41.24 C ATOM 1414 C ILE A 100 0.822 -6.817 9.953 1.00 40.41 C ATOM 1415 O ILE A 100 0.388 -6.378 11.003 1.00 60.20 O ATOM 1416 CB ILE A 100 -0.520 -7.055 7.779 1.00 14.15 C ATOM 1417 CG1 ILE A 100 -1.298 -6.247 6.714 1.00 44.44 C ATOM 1418 CG2 ILE A 100 -1.499 -7.921 8.579 1.00 24.55 C ATOM 1419 CD1 ILE A 100 -2.335 -5.235 7.231 1.00 44.24 C ATOM 0 H ILE A 100 1.545 -6.054 6.946 1.00 73.20 H new ATOM 0 HA ILE A 100 -0.277 -5.314 8.963 1.00 41.24 H new ATOM 0 HB ILE A 100 0.182 -7.723 7.279 1.00 14.15 H new ATOM 0 HG12 ILE A 100 -0.575 -5.709 6.101 1.00 44.44 H new ATOM 0 HG13 ILE A 100 -1.809 -6.952 6.059 1.00 44.44 H new ATOM 0 HG21 ILE A 100 -2.084 -8.535 7.895 1.00 24.55 H new ATOM 0 HG22 ILE A 100 -0.942 -8.565 9.260 1.00 24.55 H new ATOM 0 HG23 ILE A 100 -2.168 -7.279 9.153 1.00 24.55 H new ATOM 0 HD11 ILE A 100 -2.809 -4.736 6.386 1.00 44.24 H new ATOM 0 HD12 ILE A 100 -3.092 -5.757 7.816 1.00 44.24 H new ATOM 0 HD13 ILE A 100 -1.839 -4.494 7.858 1.00 44.24 H new ATOM 1430 N ILE A 101 1.718 -7.806 9.942 1.00 32.41 N ATOM 1431 CA ILE A 101 2.176 -8.471 11.160 1.00 72.43 C ATOM 1432 C ILE A 101 2.889 -7.501 12.097 1.00 52.00 C ATOM 1433 O ILE A 101 2.853 -7.684 13.314 1.00 12.22 O ATOM 1434 CB ILE A 101 3.126 -9.626 10.797 1.00 44.11 C ATOM 1435 CG1 ILE A 101 2.458 -10.684 9.913 1.00 24.32 C ATOM 1436 CG2 ILE A 101 3.625 -10.340 12.061 1.00 2.15 C ATOM 1437 CD1 ILE A 101 2.316 -10.338 8.436 1.00 4.01 C ATOM 0 H ILE A 101 2.145 -8.167 9.089 1.00 32.41 H new ATOM 0 HA ILE A 101 1.299 -8.858 11.678 1.00 72.43 H new ATOM 0 HB ILE A 101 3.950 -9.167 10.251 1.00 44.11 H new ATOM 0 HG12 ILE A 101 3.030 -11.608 9.994 1.00 24.32 H new ATOM 0 HG13 ILE A 101 1.465 -10.887 10.314 1.00 24.32 H new ATOM 0 HG21 ILE A 101 4.295 -11.153 11.779 1.00 2.15 H new ATOM 0 HG22 ILE A 101 4.160 -9.631 12.692 1.00 2.15 H new ATOM 0 HG23 ILE A 101 2.775 -10.745 12.610 1.00 2.15 H new ATOM 0 HD11 ILE A 101 1.830 -11.162 7.914 1.00 4.01 H new ATOM 0 HD12 ILE A 101 1.714 -9.436 8.330 1.00 4.01 H new ATOM 0 HD13 ILE A 101 3.303 -10.168 8.006 1.00 4.01 H new ATOM 1448 N SER A 102 3.543 -6.483 11.539 1.00 43.22 N ATOM 1449 CA SER A 102 4.136 -5.444 12.390 1.00 63.54 C ATOM 1450 C SER A 102 3.037 -4.799 13.243 1.00 43.13 C ATOM 1451 O SER A 102 3.248 -4.513 14.425 1.00 60.30 O ATOM 1452 CB SER A 102 4.927 -4.420 11.560 1.00 43.24 C ATOM 1453 OG SER A 102 5.218 -3.268 12.326 1.00 14.34 O ATOM 0 H SER A 102 3.675 -6.353 10.536 1.00 43.22 H new ATOM 0 HA SER A 102 4.862 -5.898 13.065 1.00 63.54 H new ATOM 0 HB2 SER A 102 5.854 -4.871 11.207 1.00 43.24 H new ATOM 0 HB3 SER A 102 4.352 -4.139 10.677 1.00 43.24 H new ATOM 0 HG SER A 102 5.723 -2.630 11.779 1.00 14.34 H new ATOM 1458 N GLU A 103 1.863 -4.598 12.650 1.00 22.14 N ATOM 1459 CA GLU A 103 0.703 -3.977 13.248 1.00 32.43 C ATOM 1460 C GLU A 103 -0.144 -4.946 14.093 1.00 41.04 C ATOM 1461 O GLU A 103 -0.720 -4.503 15.087 1.00 33.45 O ATOM 1462 CB GLU A 103 -0.099 -3.357 12.092 1.00 75.11 C ATOM 1463 CG GLU A 103 -1.208 -2.442 12.589 1.00 35.43 C ATOM 1464 CD GLU A 103 -0.722 -1.202 13.348 1.00 54.12 C ATOM 1465 OE1 GLU A 103 0.487 -0.856 13.311 1.00 72.52 O ATOM 1466 OE2 GLU A 103 -1.590 -0.530 13.953 1.00 1.03 O ATOM 0 H GLU A 103 1.695 -4.883 11.685 1.00 22.14 H new ATOM 0 HA GLU A 103 1.015 -3.216 13.963 1.00 32.43 H new ATOM 0 HB2 GLU A 103 0.574 -2.792 11.447 1.00 75.11 H new ATOM 0 HB3 GLU A 103 -0.531 -4.152 11.484 1.00 75.11 H new ATOM 0 HG2 GLU A 103 -1.804 -2.119 11.735 1.00 35.43 H new ATOM 0 HG3 GLU A 103 -1.869 -3.014 13.240 1.00 35.43 H new ATOM 1471 N ILE A 104 -0.241 -6.232 13.721 1.00 54.40 N ATOM 1472 CA ILE A 104 -1.051 -7.243 14.414 1.00 11.15 C ATOM 1473 C ILE A 104 -0.650 -7.272 15.881 1.00 42.14 C ATOM 1474 O ILE A 104 -1.556 -7.352 16.739 1.00 71.30 O ATOM 1475 CB ILE A 104 -0.974 -8.649 13.750 1.00 21.44 C ATOM 1476 CG1 ILE A 104 -1.622 -8.677 12.346 1.00 63.31 C ATOM 1477 CG2 ILE A 104 -1.756 -9.667 14.607 1.00 3.05 C ATOM 1478 CD1 ILE A 104 -1.328 -9.922 11.491 1.00 20.32 C ATOM 0 H ILE A 104 0.254 -6.605 12.911 1.00 54.40 H new ATOM 0 HA ILE A 104 -2.100 -6.959 14.334 1.00 11.15 H new ATOM 0 HB ILE A 104 0.085 -8.894 13.670 1.00 21.44 H new ATOM 0 HG12 ILE A 104 -2.702 -8.589 12.464 1.00 63.31 H new ATOM 0 HG13 ILE A 104 -1.289 -7.797 11.796 1.00 63.31 H new ATOM 0 HG21 ILE A 104 -1.702 -10.651 14.142 1.00 3.05 H new ATOM 0 HG22 ILE A 104 -1.321 -9.713 15.605 1.00 3.05 H new ATOM 0 HG23 ILE A 104 -2.798 -9.357 14.680 1.00 3.05 H new ATOM 0 HD11 ILE A 104 -1.834 -9.831 10.530 1.00 20.32 H new ATOM 0 HD12 ILE A 104 -0.253 -10.007 11.329 1.00 20.32 H new ATOM 0 HD13 ILE A 104 -1.688 -10.812 12.008 1.00 20.32 H new TER 1489 ILE A 104